USER MOD reduce.3.24.130724 H: found=0, std=0, add=1371, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1374 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 72 MET CE :methyl 180:sc= -0.033 (180deg=-0.00387) USER MOD Set 1.2: A 76 MET CE :methyl 177:sc=-0.00943 (180deg=-0.0138) USER MOD Set 1.3: B 520 LYS NZ :NH3+ 150:sc= 0.249 (180deg=0) USER MOD Set 2.1: A 36 MET CE :methyl -119:sc= -2.83! (180deg=-3.83!) USER MOD Set 2.2: A 41 GLN : amide:sc= -0.584 K(o=-3.4,f=-7.6!) USER MOD Set 2.3: A 42 ASN : amide:sc= 0 X(o=-3.4,f=-3.4) USER MOD Set 3.1: A 3 GLN : amide:sc= -1.53! C(o=-1.5!,f=-5.5!) USER MOD Set 3.2: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.828 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.698) USER MOD Single : A 26 THR OG1 : rot -160:sc= -0.778 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -130:sc= -2.88! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 87:sc= 1.25 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -170:sc= -0.876 USER MOD Single : A 49 GLN : amide:sc= 0.298 X(o=0.3,f=0) USER MOD Single : A 51 MET CE :methyl -117:sc= -0.952 (180deg=-2.89!) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0.044) USER MOD Single : A 60 ASN : amide:sc= -0.498 X(o=-0.5,f=-0.0071) USER MOD Single : A 62 THR OG1 : rot 132:sc= 0.655 USER MOD Single : A 70 THR OG1 : rot 11:sc= 0.0289 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0265) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -23:sc= 0.109 USER MOD Single : A 94 LYS NZ :NH3+ 168:sc= 2.23 (180deg=1.98) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -170:sc= -0.184 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl -141:sc= -0.0145 (180deg=-1.28) USER MOD Single : A 110 THR OG1 : rot 105:sc= 1.26 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 115 LYS NZ :NH3+ -156:sc= 0.226 (180deg=0.0591) USER MOD Single : A 117 THR OG1 : rot 25:sc= -0.705! USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 ASN : amide:sc= -2.01! K(o=-2!,f=-0.39) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl -165:sc= -0.018 (180deg=-0.403) USER MOD Single : A 145 MET CE :methyl -120:sc= -2.11 (180deg=-7.2!) USER MOD Single : A 146 THR OG1 : rot -55:sc= -0.897! USER MOD Single : A 148 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000601) USER MOD Single : B 505 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 506 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 509 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 516 LYS NZ :NH3+ -124:sc= 0.00858 (180deg=0) USER MOD Single : B 526 CYS SG : rot -31:sc= -1.93! USER MOD Single : B 527 MET CE :methyl 151:sc= -0.258 (180deg=-1.78) USER MOD Single : B 529 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 531 LYS NZ :NH3+ -129:sc= -0.262 (180deg=-3.37!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.895 -20.431 6.138 1.00 7.80 N ATOM 2 CA ALA A 1 -6.196 -19.151 5.859 1.00 7.39 C ATOM 3 C ALA A 1 -4.934 -19.021 6.704 1.00 6.58 C ATOM 4 O ALA A 1 -4.967 -19.241 7.919 1.00 6.72 O ATOM 5 CB ALA A 1 -7.127 -17.975 6.117 1.00 7.99 C ATOM 0 H1 ALA A 1 -7.750 -20.495 5.550 1.00 7.80 H new ATOM 0 H2 ALA A 1 -6.263 -21.227 5.917 1.00 7.80 H new ATOM 0 H3 ALA A 1 -7.162 -20.469 7.143 1.00 7.80 H new ATOM 0 HA ALA A 1 -5.903 -19.146 4.809 1.00 7.39 H new ATOM 0 HB1 ALA A 1 -6.602 -17.043 5.909 1.00 7.99 H new ATOM 0 HB2 ALA A 1 -8.000 -18.053 5.469 1.00 7.99 H new ATOM 0 HB3 ALA A 1 -7.447 -17.986 7.159 1.00 7.99 H new ATOM 13 N ASP A 2 -3.826 -18.662 6.048 1.00 6.04 N ATOM 14 CA ASP A 2 -2.537 -18.496 6.722 1.00 5.55 C ATOM 15 C ASP A 2 -2.240 -17.021 6.970 1.00 4.87 C ATOM 16 O ASP A 2 -2.425 -16.186 6.080 1.00 5.13 O ATOM 17 CB ASP A 2 -1.412 -19.121 5.891 1.00 5.87 C ATOM 18 CG ASP A 2 -1.477 -20.637 5.864 1.00 6.52 C ATOM 19 OD1 ASP A 2 -0.870 -21.273 6.750 1.00 7.04 O ATOM 20 OD2 ASP A 2 -2.135 -21.186 4.956 1.00 6.78 O ATOM 0 H ASP A 2 -3.798 -18.480 5.045 1.00 6.04 H new ATOM 0 HA ASP A 2 -2.593 -19.006 7.684 1.00 5.55 H new ATOM 0 HB2 ASP A 2 -1.465 -18.741 4.871 1.00 5.87 H new ATOM 0 HB3 ASP A 2 -0.450 -18.810 6.297 1.00 5.87 H new ATOM 25 N GLN A 3 -1.778 -16.715 8.187 1.00 4.34 N ATOM 26 CA GLN A 3 -1.448 -15.341 8.575 1.00 3.83 C ATOM 27 C GLN A 3 -0.058 -15.272 9.202 1.00 2.55 C ATOM 28 O GLN A 3 0.295 -16.111 10.036 1.00 2.57 O ATOM 29 CB GLN A 3 -2.490 -14.792 9.561 1.00 4.64 C ATOM 30 CG GLN A 3 -3.848 -14.487 8.933 1.00 5.89 C ATOM 31 CD GLN A 3 -3.878 -13.154 8.205 1.00 6.86 C ATOM 32 OE1 GLN A 3 -4.191 -12.119 8.793 1.00 7.41 O ATOM 33 NE2 GLN A 3 -3.554 -13.175 6.917 1.00 7.35 N ATOM 0 H GLN A 3 -1.624 -17.404 8.923 1.00 4.34 H new ATOM 0 HA GLN A 3 -1.456 -14.729 7.673 1.00 3.83 H new ATOM 0 HB2 GLN A 3 -2.629 -15.515 10.365 1.00 4.64 H new ATOM 0 HB3 GLN A 3 -2.100 -13.881 10.015 1.00 4.64 H new ATOM 0 HG2 GLN A 3 -4.106 -15.283 8.234 1.00 5.89 H new ATOM 0 HG3 GLN A 3 -4.611 -14.487 9.712 1.00 5.89 H new ATOM 0 HE21 GLN A 3 -3.301 -14.056 6.469 1.00 7.35 H new ATOM 0 HE22 GLN A 3 -3.558 -12.310 6.376 1.00 7.35 H new ATOM 42 N LEU A 4 0.722 -14.266 8.790 1.00 2.09 N ATOM 43 CA LEU A 4 2.081 -14.066 9.304 1.00 1.43 C ATOM 44 C LEU A 4 2.081 -13.068 10.469 1.00 1.51 C ATOM 45 O LEU A 4 1.040 -12.869 11.104 1.00 1.86 O ATOM 46 CB LEU A 4 3.013 -13.604 8.164 1.00 2.32 C ATOM 47 CG LEU A 4 3.263 -14.631 7.049 1.00 2.86 C ATOM 48 CD1 LEU A 4 3.606 -13.927 5.746 1.00 3.65 C ATOM 49 CD2 LEU A 4 4.382 -15.593 7.437 1.00 3.75 C ATOM 0 H LEU A 4 0.433 -13.574 8.098 1.00 2.09 H new ATOM 0 HA LEU A 4 2.457 -15.014 9.688 1.00 1.43 H new ATOM 0 HB2 LEU A 4 2.590 -12.705 7.716 1.00 2.32 H new ATOM 0 HB3 LEU A 4 3.974 -13.324 8.596 1.00 2.32 H new ATOM 0 HG LEU A 4 2.348 -15.207 6.908 1.00 2.86 H new ATOM 0 HD11 LEU A 4 3.780 -14.669 4.967 1.00 3.65 H new ATOM 0 HD12 LEU A 4 2.779 -13.280 5.453 1.00 3.65 H new ATOM 0 HD13 LEU A 4 4.505 -13.326 5.883 1.00 3.65 H new ATOM 0 HD21 LEU A 4 4.540 -16.310 6.632 1.00 3.75 H new ATOM 0 HD22 LEU A 4 5.301 -15.032 7.609 1.00 3.75 H new ATOM 0 HD23 LEU A 4 4.105 -16.125 8.347 1.00 3.75 H new ATOM 61 N THR A 5 3.243 -12.448 10.766 1.00 1.73 N ATOM 62 CA THR A 5 3.331 -11.452 11.842 1.00 2.05 C ATOM 63 C THR A 5 2.494 -10.226 11.469 1.00 1.66 C ATOM 64 O THR A 5 2.407 -9.872 10.293 1.00 1.15 O ATOM 65 CB THR A 5 4.785 -11.019 12.142 1.00 2.63 C ATOM 66 OG1 THR A 5 5.717 -11.971 11.608 1.00 3.14 O ATOM 67 CG2 THR A 5 5.009 -10.884 13.642 1.00 3.26 C ATOM 0 H THR A 5 4.122 -12.621 10.278 1.00 1.73 H new ATOM 0 HA THR A 5 2.945 -11.919 12.748 1.00 2.05 H new ATOM 0 HB THR A 5 4.948 -10.051 11.667 1.00 2.63 H new ATOM 0 HG1 THR A 5 6.632 -11.680 11.806 1.00 3.14 H new ATOM 0 HG21 THR A 5 6.038 -10.579 13.830 1.00 3.26 H new ATOM 0 HG22 THR A 5 4.329 -10.134 14.045 1.00 3.26 H new ATOM 0 HG23 THR A 5 4.821 -11.842 14.126 1.00 3.26 H new ATOM 75 N GLU A 6 1.941 -9.565 12.490 1.00 2.22 N ATOM 76 CA GLU A 6 1.028 -8.408 12.337 1.00 2.15 C ATOM 77 C GLU A 6 1.391 -7.420 11.217 1.00 1.73 C ATOM 78 O GLU A 6 0.557 -7.169 10.346 1.00 1.38 O ATOM 79 CB GLU A 6 0.958 -7.657 13.664 1.00 2.80 C ATOM 80 CG GLU A 6 0.065 -8.319 14.703 1.00 3.25 C ATOM 81 CD GLU A 6 0.016 -7.546 16.006 1.00 3.82 C ATOM 82 OE1 GLU A 6 -0.863 -6.669 16.144 1.00 4.39 O ATOM 83 OE2 GLU A 6 0.856 -7.818 16.890 1.00 4.09 O ATOM 0 H GLU A 6 2.112 -9.815 13.464 1.00 2.22 H new ATOM 0 HA GLU A 6 0.066 -8.830 12.046 1.00 2.15 H new ATOM 0 HB2 GLU A 6 1.965 -7.565 14.071 1.00 2.80 H new ATOM 0 HB3 GLU A 6 0.595 -6.646 13.479 1.00 2.80 H new ATOM 0 HG2 GLU A 6 -0.944 -8.413 14.302 1.00 3.25 H new ATOM 0 HG3 GLU A 6 0.426 -9.329 14.897 1.00 3.25 H new ATOM 90 N GLU A 7 2.613 -6.872 11.228 1.00 1.90 N ATOM 91 CA GLU A 7 3.023 -5.906 10.209 1.00 1.65 C ATOM 92 C GLU A 7 3.481 -6.559 8.913 1.00 1.44 C ATOM 93 O GLU A 7 3.536 -5.897 7.871 1.00 1.23 O ATOM 94 CB GLU A 7 4.106 -4.965 10.744 1.00 2.06 C ATOM 95 CG GLU A 7 3.576 -3.901 11.691 1.00 2.28 C ATOM 96 CD GLU A 7 4.667 -2.984 12.208 1.00 2.65 C ATOM 97 OE1 GLU A 7 4.847 -1.892 11.630 1.00 3.11 O ATOM 98 OE2 GLU A 7 5.342 -3.358 13.190 1.00 2.91 O ATOM 0 H GLU A 7 3.327 -7.081 11.926 1.00 1.90 H new ATOM 0 HA GLU A 7 2.132 -5.325 9.971 1.00 1.65 H new ATOM 0 HB2 GLU A 7 4.864 -5.554 11.261 1.00 2.06 H new ATOM 0 HB3 GLU A 7 4.599 -4.478 9.903 1.00 2.06 H new ATOM 0 HG2 GLU A 7 2.820 -3.307 11.177 1.00 2.28 H new ATOM 0 HG3 GLU A 7 3.083 -4.384 12.534 1.00 2.28 H new ATOM 105 N GLN A 8 3.807 -7.849 8.977 1.00 1.67 N ATOM 106 CA GLN A 8 4.229 -8.601 7.793 1.00 1.66 C ATOM 107 C GLN A 8 3.015 -8.835 6.888 1.00 1.23 C ATOM 108 O GLN A 8 3.081 -8.627 5.673 1.00 1.28 O ATOM 109 CB GLN A 8 4.873 -9.935 8.206 1.00 1.98 C ATOM 110 CG GLN A 8 6.001 -9.787 9.225 1.00 2.48 C ATOM 111 CD GLN A 8 7.335 -9.438 8.588 1.00 2.88 C ATOM 112 OE1 GLN A 8 7.667 -8.265 8.417 1.00 3.21 O ATOM 113 NE2 GLN A 8 8.106 -10.460 8.233 1.00 3.41 N ATOM 0 H GLN A 8 3.787 -8.397 9.837 1.00 1.67 H new ATOM 0 HA GLN A 8 4.976 -8.029 7.244 1.00 1.66 H new ATOM 0 HB2 GLN A 8 4.104 -10.585 8.622 1.00 1.98 H new ATOM 0 HB3 GLN A 8 5.262 -10.430 7.317 1.00 1.98 H new ATOM 0 HG2 GLN A 8 5.734 -9.012 9.944 1.00 2.48 H new ATOM 0 HG3 GLN A 8 6.104 -10.718 9.783 1.00 2.48 H new ATOM 0 HE21 GLN A 8 7.791 -11.417 8.394 1.00 3.41 H new ATOM 0 HE22 GLN A 8 9.013 -10.288 7.800 1.00 3.41 H new ATOM 122 N ILE A 9 1.912 -9.274 7.513 1.00 0.97 N ATOM 123 CA ILE A 9 0.644 -9.509 6.812 1.00 0.68 C ATOM 124 C ILE A 9 -0.228 -8.255 6.773 1.00 0.57 C ATOM 125 O ILE A 9 -1.197 -8.203 6.015 1.00 0.67 O ATOM 126 CB ILE A 9 -0.192 -10.700 7.359 1.00 0.76 C ATOM 127 CG1 ILE A 9 0.225 -11.093 8.762 1.00 1.22 C ATOM 128 CG2 ILE A 9 -0.105 -11.891 6.420 1.00 1.14 C ATOM 129 CD1 ILE A 9 -0.506 -10.290 9.792 1.00 2.46 C ATOM 0 H ILE A 9 1.875 -9.475 8.512 1.00 0.97 H new ATOM 0 HA ILE A 9 0.951 -9.779 5.802 1.00 0.68 H new ATOM 0 HB ILE A 9 -1.229 -10.370 7.412 1.00 0.76 H new ATOM 0 HG12 ILE A 9 0.029 -12.154 8.918 1.00 1.22 H new ATOM 0 HG13 ILE A 9 1.299 -10.947 8.879 1.00 1.22 H new ATOM 0 HG21 ILE A 9 -0.697 -12.714 6.821 1.00 1.14 H new ATOM 0 HG22 ILE A 9 -0.490 -11.610 5.440 1.00 1.14 H new ATOM 0 HG23 ILE A 9 0.935 -12.204 6.325 1.00 1.14 H new ATOM 0 HD11 ILE A 9 -0.184 -10.596 10.788 1.00 2.46 H new ATOM 0 HD12 ILE A 9 -0.289 -9.231 9.650 1.00 2.46 H new ATOM 0 HD13 ILE A 9 -1.578 -10.457 9.690 1.00 2.46 H new ATOM 141 N ALA A 10 0.126 -7.245 7.596 1.00 0.59 N ATOM 142 CA ALA A 10 -0.626 -5.967 7.679 1.00 0.64 C ATOM 143 C ALA A 10 -0.971 -5.337 6.335 1.00 0.58 C ATOM 144 O ALA A 10 -2.071 -4.802 6.168 1.00 0.70 O ATOM 145 CB ALA A 10 0.172 -4.925 8.427 1.00 0.80 C ATOM 0 H ALA A 10 0.933 -7.288 8.218 1.00 0.59 H new ATOM 0 HA ALA A 10 -1.550 -6.245 8.185 1.00 0.64 H new ATOM 0 HB1 ALA A 10 -0.397 -3.997 8.476 1.00 0.80 H new ATOM 0 HB2 ALA A 10 0.376 -5.279 9.437 1.00 0.80 H new ATOM 0 HB3 ALA A 10 1.114 -4.746 7.908 1.00 0.80 H new ATOM 151 N GLU A 11 -0.047 -5.432 5.373 1.00 0.50 N ATOM 152 CA GLU A 11 -0.226 -4.777 4.084 1.00 0.51 C ATOM 153 C GLU A 11 -1.171 -5.584 3.209 1.00 0.49 C ATOM 154 O GLU A 11 -2.198 -5.073 2.772 1.00 0.50 O ATOM 155 CB GLU A 11 1.127 -4.549 3.371 1.00 0.59 C ATOM 156 CG GLU A 11 1.030 -3.787 2.037 1.00 0.64 C ATOM 157 CD GLU A 11 0.835 -4.709 0.847 1.00 0.88 C ATOM 158 OE1 GLU A 11 -0.275 -4.712 0.274 1.00 1.48 O ATOM 159 OE2 GLU A 11 1.789 -5.429 0.493 1.00 1.48 O ATOM 0 H GLU A 11 0.825 -5.953 5.466 1.00 0.50 H new ATOM 0 HA GLU A 11 -0.668 -3.797 4.263 1.00 0.51 H new ATOM 0 HB2 GLU A 11 1.787 -3.999 4.041 1.00 0.59 H new ATOM 0 HB3 GLU A 11 1.594 -5.517 3.188 1.00 0.59 H new ATOM 0 HG2 GLU A 11 0.199 -3.083 2.085 1.00 0.64 H new ATOM 0 HG3 GLU A 11 1.937 -3.200 1.892 1.00 0.64 H new ATOM 166 N PHE A 12 -0.816 -6.856 2.981 1.00 0.52 N ATOM 167 CA PHE A 12 -1.620 -7.754 2.150 1.00 0.53 C ATOM 168 C PHE A 12 -2.999 -7.961 2.755 1.00 0.49 C ATOM 169 O PHE A 12 -3.957 -8.223 2.028 1.00 0.54 O ATOM 170 CB PHE A 12 -0.926 -9.117 1.941 1.00 0.63 C ATOM 171 CG PHE A 12 0.587 -9.070 1.865 1.00 1.22 C ATOM 172 CD1 PHE A 12 1.236 -8.367 0.858 1.00 2.05 C ATOM 173 CD2 PHE A 12 1.356 -9.739 2.806 1.00 2.14 C ATOM 174 CE1 PHE A 12 2.616 -8.331 0.796 1.00 3.03 C ATOM 175 CE2 PHE A 12 2.736 -9.706 2.747 1.00 3.14 C ATOM 176 CZ PHE A 12 3.366 -9.001 1.741 1.00 3.44 C ATOM 0 H PHE A 12 0.027 -7.285 3.364 1.00 0.52 H new ATOM 0 HA PHE A 12 -1.727 -7.278 1.175 1.00 0.53 H new ATOM 0 HB2 PHE A 12 -1.212 -9.780 2.757 1.00 0.63 H new ATOM 0 HB3 PHE A 12 -1.306 -9.562 1.021 1.00 0.63 H new ATOM 0 HD1 PHE A 12 0.655 -7.842 0.114 1.00 2.05 H new ATOM 0 HD2 PHE A 12 0.870 -10.293 3.595 1.00 2.14 H new ATOM 0 HE1 PHE A 12 3.107 -7.779 0.008 1.00 3.03 H new ATOM 0 HE2 PHE A 12 3.321 -10.231 3.487 1.00 3.14 H new ATOM 0 HZ PHE A 12 4.445 -8.974 1.694 1.00 3.44 H new ATOM 186 N LYS A 13 -3.092 -7.843 4.093 1.00 0.47 N ATOM 187 CA LYS A 13 -4.362 -7.974 4.780 1.00 0.48 C ATOM 188 C LYS A 13 -5.296 -6.851 4.462 1.00 0.48 C ATOM 189 O LYS A 13 -6.440 -7.064 4.057 1.00 0.52 O ATOM 190 CB LYS A 13 -4.196 -7.965 6.294 1.00 0.51 C ATOM 191 CG LYS A 13 -5.365 -8.612 6.995 1.00 0.57 C ATOM 192 CD LYS A 13 -5.420 -10.091 6.646 1.00 0.60 C ATOM 193 CE LYS A 13 -6.843 -10.626 6.661 1.00 0.66 C ATOM 194 NZ LYS A 13 -6.893 -12.081 6.348 1.00 1.21 N ATOM 0 H LYS A 13 -2.298 -7.658 4.706 1.00 0.47 H new ATOM 0 HA LYS A 13 -4.766 -8.926 4.435 1.00 0.48 H new ATOM 0 HB2 LYS A 13 -3.278 -8.489 6.561 1.00 0.51 H new ATOM 0 HB3 LYS A 13 -4.089 -6.937 6.641 1.00 0.51 H new ATOM 0 HG2 LYS A 13 -5.269 -8.487 8.073 1.00 0.57 H new ATOM 0 HG3 LYS A 13 -6.294 -8.124 6.699 1.00 0.57 H new ATOM 0 HD2 LYS A 13 -4.984 -10.247 5.659 1.00 0.60 H new ATOM 0 HD3 LYS A 13 -4.813 -10.654 7.355 1.00 0.60 H new ATOM 0 HE2 LYS A 13 -7.287 -10.450 7.641 1.00 0.66 H new ATOM 0 HE3 LYS A 13 -7.445 -10.078 5.936 1.00 0.66 H new ATOM 0 HZ1 LYS A 13 -7.880 -12.407 6.368 1.00 1.21 H new ATOM 0 HZ2 LYS A 13 -6.493 -12.247 5.402 1.00 1.21 H new ATOM 0 HZ3 LYS A 13 -6.340 -12.607 7.054 1.00 1.21 H new ATOM 208 N GLU A 14 -4.811 -5.655 4.696 1.00 0.47 N ATOM 209 CA GLU A 14 -5.612 -4.502 4.480 1.00 0.49 C ATOM 210 C GLU A 14 -5.796 -4.262 2.990 1.00 0.49 C ATOM 211 O GLU A 14 -6.791 -3.675 2.558 1.00 0.54 O ATOM 212 CB GLU A 14 -5.004 -3.279 5.165 1.00 0.50 C ATOM 213 CG GLU A 14 -5.685 -2.880 6.470 1.00 0.52 C ATOM 214 CD GLU A 14 -5.289 -3.762 7.643 1.00 1.25 C ATOM 215 OE1 GLU A 14 -5.970 -4.782 7.876 1.00 1.99 O ATOM 216 OE2 GLU A 14 -4.297 -3.430 8.326 1.00 1.95 O ATOM 0 H GLU A 14 -3.867 -5.468 5.035 1.00 0.47 H new ATOM 0 HA GLU A 14 -6.593 -4.673 4.923 1.00 0.49 H new ATOM 0 HB2 GLU A 14 -3.951 -3.477 5.365 1.00 0.50 H new ATOM 0 HB3 GLU A 14 -5.044 -2.435 4.476 1.00 0.50 H new ATOM 0 HG2 GLU A 14 -5.435 -1.844 6.701 1.00 0.52 H new ATOM 0 HG3 GLU A 14 -6.766 -2.925 6.338 1.00 0.52 H new ATOM 223 N ALA A 15 -4.807 -4.736 2.218 1.00 0.46 N ATOM 224 CA ALA A 15 -4.839 -4.648 0.770 1.00 0.48 C ATOM 225 C ALA A 15 -5.623 -5.811 0.183 1.00 0.50 C ATOM 226 O ALA A 15 -5.750 -5.971 -1.037 1.00 0.55 O ATOM 227 CB ALA A 15 -3.438 -4.569 0.178 1.00 0.50 C ATOM 0 H ALA A 15 -3.971 -5.187 2.588 1.00 0.46 H new ATOM 0 HA ALA A 15 -5.349 -3.722 0.503 1.00 0.48 H new ATOM 0 HB1 ALA A 15 -3.505 -4.504 -0.908 1.00 0.50 H new ATOM 0 HB2 ALA A 15 -2.929 -3.685 0.563 1.00 0.50 H new ATOM 0 HB3 ALA A 15 -2.875 -5.461 0.454 1.00 0.50 H new ATOM 233 N PHE A 16 -6.153 -6.599 1.104 1.00 0.49 N ATOM 234 CA PHE A 16 -6.972 -7.765 0.794 1.00 0.53 C ATOM 235 C PHE A 16 -8.422 -7.319 0.616 1.00 0.57 C ATOM 236 O PHE A 16 -9.047 -7.645 -0.389 1.00 0.60 O ATOM 237 CB PHE A 16 -6.863 -8.846 1.891 1.00 0.55 C ATOM 238 CG PHE A 16 -7.210 -10.233 1.418 1.00 0.56 C ATOM 239 CD1 PHE A 16 -8.513 -10.698 1.492 1.00 1.27 C ATOM 240 CD2 PHE A 16 -6.232 -11.069 0.902 1.00 1.27 C ATOM 241 CE1 PHE A 16 -8.835 -11.970 1.060 1.00 1.31 C ATOM 242 CE2 PHE A 16 -6.549 -12.342 0.468 1.00 1.27 C ATOM 243 CZ PHE A 16 -7.852 -12.793 0.547 1.00 0.62 C ATOM 0 H PHE A 16 -6.026 -6.446 2.104 1.00 0.49 H new ATOM 0 HA PHE A 16 -6.609 -8.214 -0.131 1.00 0.53 H new ATOM 0 HB2 PHE A 16 -5.846 -8.850 2.283 1.00 0.55 H new ATOM 0 HB3 PHE A 16 -7.522 -8.579 2.717 1.00 0.55 H new ATOM 0 HD1 PHE A 16 -9.286 -10.059 1.892 1.00 1.27 H new ATOM 0 HD2 PHE A 16 -5.211 -10.722 0.839 1.00 1.27 H new ATOM 0 HE1 PHE A 16 -9.855 -12.320 1.123 1.00 1.31 H new ATOM 0 HE2 PHE A 16 -5.778 -12.984 0.067 1.00 1.27 H new ATOM 0 HZ PHE A 16 -8.102 -13.788 0.208 1.00 0.62 H new ATOM 253 N SER A 17 -8.938 -6.548 1.597 1.00 0.61 N ATOM 254 CA SER A 17 -10.319 -6.050 1.540 1.00 0.67 C ATOM 255 C SER A 17 -10.431 -4.747 0.737 1.00 0.74 C ATOM 256 O SER A 17 -11.519 -4.382 0.281 1.00 0.78 O ATOM 257 CB SER A 17 -10.881 -5.855 2.949 1.00 0.74 C ATOM 258 OG SER A 17 -10.881 -7.074 3.672 1.00 1.41 O ATOM 0 H SER A 17 -8.421 -6.262 2.428 1.00 0.61 H new ATOM 0 HA SER A 17 -10.911 -6.805 1.023 1.00 0.67 H new ATOM 0 HB2 SER A 17 -10.286 -5.113 3.482 1.00 0.74 H new ATOM 0 HB3 SER A 17 -11.897 -5.465 2.888 1.00 0.74 H new ATOM 0 HG SER A 17 -11.243 -6.922 4.570 1.00 1.41 H new ATOM 264 N LEU A 18 -9.294 -4.059 0.576 1.00 0.79 N ATOM 265 CA LEU A 18 -9.210 -2.797 -0.188 1.00 0.91 C ATOM 266 C LEU A 18 -9.241 -3.110 -1.698 1.00 0.81 C ATOM 267 O LEU A 18 -9.466 -2.232 -2.535 1.00 0.79 O ATOM 268 CB LEU A 18 -7.946 -1.998 0.312 1.00 1.26 C ATOM 269 CG LEU A 18 -6.854 -1.446 -0.666 1.00 0.69 C ATOM 270 CD1 LEU A 18 -6.196 -2.526 -1.507 1.00 1.59 C ATOM 271 CD2 LEU A 18 -7.372 -0.327 -1.555 1.00 0.83 C ATOM 0 H LEU A 18 -8.402 -4.358 0.970 1.00 0.79 H new ATOM 0 HA LEU A 18 -10.067 -2.146 -0.017 1.00 0.91 H new ATOM 0 HB2 LEU A 18 -8.321 -1.143 0.874 1.00 1.26 H new ATOM 0 HB3 LEU A 18 -7.430 -2.645 1.022 1.00 1.26 H new ATOM 0 HG LEU A 18 -6.086 -1.030 -0.013 1.00 0.69 H new ATOM 0 HD11 LEU A 18 -5.451 -2.074 -2.161 1.00 1.59 H new ATOM 0 HD12 LEU A 18 -5.713 -3.252 -0.853 1.00 1.59 H new ATOM 0 HD13 LEU A 18 -6.952 -3.028 -2.111 1.00 1.59 H new ATOM 0 HD21 LEU A 18 -6.572 0.016 -2.211 1.00 0.83 H new ATOM 0 HD22 LEU A 18 -8.203 -0.696 -2.157 1.00 0.83 H new ATOM 0 HD23 LEU A 18 -7.713 0.502 -0.935 1.00 0.83 H new ATOM 283 N PHE A 19 -9.030 -4.394 -1.997 1.00 0.84 N ATOM 284 CA PHE A 19 -9.027 -4.931 -3.354 1.00 0.86 C ATOM 285 C PHE A 19 -10.243 -5.820 -3.595 1.00 0.75 C ATOM 286 O PHE A 19 -10.832 -5.817 -4.677 1.00 0.79 O ATOM 287 CB PHE A 19 -7.807 -5.822 -3.535 1.00 1.02 C ATOM 288 CG PHE A 19 -6.838 -5.385 -4.595 1.00 0.85 C ATOM 289 CD1 PHE A 19 -7.033 -5.733 -5.920 1.00 1.41 C ATOM 290 CD2 PHE A 19 -5.713 -4.650 -4.257 1.00 1.53 C ATOM 291 CE1 PHE A 19 -6.127 -5.354 -6.890 1.00 1.60 C ATOM 292 CE2 PHE A 19 -4.805 -4.264 -5.223 1.00 1.64 C ATOM 293 CZ PHE A 19 -5.011 -4.617 -6.541 1.00 1.28 C ATOM 0 H PHE A 19 -8.853 -5.102 -1.285 1.00 0.84 H new ATOM 0 HA PHE A 19 -9.030 -4.086 -4.043 1.00 0.86 H new ATOM 0 HB2 PHE A 19 -7.277 -5.880 -2.584 1.00 1.02 H new ATOM 0 HB3 PHE A 19 -8.147 -6.830 -3.772 1.00 1.02 H new ATOM 0 HD1 PHE A 19 -7.904 -6.308 -6.198 1.00 1.41 H new ATOM 0 HD2 PHE A 19 -5.544 -4.376 -3.226 1.00 1.53 H new ATOM 0 HE1 PHE A 19 -6.290 -5.633 -7.921 1.00 1.60 H new ATOM 0 HE2 PHE A 19 -3.935 -3.687 -4.947 1.00 1.64 H new ATOM 0 HZ PHE A 19 -4.302 -4.318 -7.298 1.00 1.28 H new ATOM 303 N ASP A 20 -10.601 -6.590 -2.562 1.00 0.68 N ATOM 304 CA ASP A 20 -11.682 -7.557 -2.647 1.00 0.63 C ATOM 305 C ASP A 20 -13.093 -6.921 -2.535 1.00 0.66 C ATOM 306 O ASP A 20 -13.575 -6.630 -1.434 1.00 0.74 O ATOM 307 CB ASP A 20 -11.421 -8.705 -1.615 1.00 0.60 C ATOM 308 CG ASP A 20 -12.376 -8.768 -0.424 1.00 1.67 C ATOM 309 OD1 ASP A 20 -13.552 -9.138 -0.617 1.00 2.45 O ATOM 310 OD2 ASP A 20 -11.939 -8.450 0.701 1.00 2.31 O ATOM 0 H ASP A 20 -10.146 -6.555 -1.650 1.00 0.68 H new ATOM 0 HA ASP A 20 -11.684 -7.990 -3.647 1.00 0.63 H new ATOM 0 HB2 ASP A 20 -11.467 -9.658 -2.143 1.00 0.60 H new ATOM 0 HB3 ASP A 20 -10.405 -8.600 -1.235 1.00 0.60 H new ATOM 315 N LYS A 21 -13.717 -6.643 -3.696 1.00 0.73 N ATOM 316 CA LYS A 21 -15.093 -6.114 -3.729 1.00 0.80 C ATOM 317 C LYS A 21 -16.053 -7.282 -3.651 1.00 0.82 C ATOM 318 O LYS A 21 -16.942 -7.340 -2.797 1.00 0.91 O ATOM 319 CB LYS A 21 -15.383 -5.334 -4.999 1.00 1.01 C ATOM 320 CG LYS A 21 -14.777 -3.959 -5.021 1.00 0.97 C ATOM 321 CD LYS A 21 -13.557 -3.965 -5.899 1.00 0.95 C ATOM 322 CE LYS A 21 -13.550 -2.775 -6.851 1.00 1.05 C ATOM 323 NZ LYS A 21 -14.414 -3.005 -8.042 1.00 1.63 N ATOM 0 H LYS A 21 -13.294 -6.775 -4.615 1.00 0.73 H new ATOM 0 HA LYS A 21 -15.212 -5.433 -2.887 1.00 0.80 H new ATOM 0 HB2 LYS A 21 -15.010 -5.898 -5.854 1.00 1.01 H new ATOM 0 HB3 LYS A 21 -16.463 -5.247 -5.121 1.00 1.01 H new ATOM 0 HG2 LYS A 21 -15.503 -3.236 -5.393 1.00 0.97 H new ATOM 0 HG3 LYS A 21 -14.510 -3.651 -4.010 1.00 0.97 H new ATOM 0 HD2 LYS A 21 -12.661 -3.942 -5.279 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -13.524 -4.891 -6.472 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -13.892 -1.886 -6.322 1.00 1.05 H new ATOM 0 HE3 LYS A 21 -12.529 -2.578 -7.177 1.00 1.05 H new ATOM 0 HZ1 LYS A 21 -14.793 -2.096 -8.377 1.00 1.63 H new ATOM 0 HZ2 LYS A 21 -13.853 -3.446 -8.798 1.00 1.63 H new ATOM 0 HZ3 LYS A 21 -15.201 -3.634 -7.784 1.00 1.63 H new ATOM 337 N ASP A 22 -15.831 -8.207 -4.583 1.00 0.85 N ATOM 338 CA ASP A 22 -16.589 -9.460 -4.669 1.00 0.97 C ATOM 339 C ASP A 22 -16.063 -10.422 -3.592 1.00 0.88 C ATOM 340 O ASP A 22 -16.840 -11.046 -2.864 1.00 1.02 O ATOM 341 CB ASP A 22 -16.455 -10.068 -6.072 1.00 1.12 C ATOM 342 CG ASP A 22 -17.551 -11.073 -6.388 1.00 1.36 C ATOM 343 OD1 ASP A 22 -17.452 -12.226 -5.919 1.00 2.09 O ATOM 344 OD2 ASP A 22 -18.506 -10.705 -7.104 1.00 1.48 O ATOM 0 H ASP A 22 -15.117 -8.111 -5.305 1.00 0.85 H new ATOM 0 HA ASP A 22 -17.649 -9.272 -4.496 1.00 0.97 H new ATOM 0 HB2 ASP A 22 -16.477 -9.269 -6.813 1.00 1.12 H new ATOM 0 HB3 ASP A 22 -15.485 -10.557 -6.160 1.00 1.12 H new ATOM 349 N GLY A 23 -14.722 -10.521 -3.520 1.00 0.75 N ATOM 350 CA GLY A 23 -14.042 -11.327 -2.512 1.00 0.75 C ATOM 351 C GLY A 23 -14.357 -12.806 -2.489 1.00 0.85 C ATOM 352 O GLY A 23 -14.745 -13.346 -1.450 1.00 1.01 O ATOM 0 H GLY A 23 -14.089 -10.042 -4.161 1.00 0.75 H new ATOM 0 HA2 GLY A 23 -12.968 -11.212 -2.654 1.00 0.75 H new ATOM 0 HA3 GLY A 23 -14.280 -10.915 -1.531 1.00 0.75 H new ATOM 356 N ASP A 24 -14.190 -13.455 -3.639 1.00 0.82 N ATOM 357 CA ASP A 24 -14.356 -14.912 -3.767 1.00 0.95 C ATOM 358 C ASP A 24 -13.193 -15.600 -3.048 1.00 0.87 C ATOM 359 O ASP A 24 -13.075 -16.829 -2.981 1.00 0.96 O ATOM 360 CB ASP A 24 -14.260 -15.255 -5.229 1.00 1.00 C ATOM 361 CG ASP A 24 -15.587 -15.164 -5.957 1.00 1.41 C ATOM 362 OD1 ASP A 24 -15.810 -14.157 -6.660 1.00 1.96 O ATOM 363 OD2 ASP A 24 -16.402 -16.101 -5.823 1.00 1.93 O ATOM 0 H ASP A 24 -13.936 -12.992 -4.511 1.00 0.82 H new ATOM 0 HA ASP A 24 -15.309 -15.230 -3.345 1.00 0.95 H new ATOM 0 HB2 ASP A 24 -13.546 -14.584 -5.706 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -13.866 -16.266 -5.332 1.00 1.00 H new ATOM 368 N GLY A 25 -12.368 -14.722 -2.512 1.00 0.74 N ATOM 369 CA GLY A 25 -11.150 -15.056 -1.806 1.00 0.72 C ATOM 370 C GLY A 25 -9.972 -14.643 -2.651 1.00 0.65 C ATOM 371 O GLY A 25 -8.828 -14.605 -2.190 1.00 0.69 O ATOM 0 H GLY A 25 -12.536 -13.717 -2.559 1.00 0.74 H new ATOM 0 HA2 GLY A 25 -11.120 -14.547 -0.842 1.00 0.72 H new ATOM 0 HA3 GLY A 25 -11.112 -16.126 -1.603 1.00 0.72 H new ATOM 375 N THR A 26 -10.295 -14.336 -3.909 1.00 0.62 N ATOM 376 CA THR A 26 -9.341 -13.868 -4.892 1.00 0.58 C ATOM 377 C THR A 26 -9.583 -12.406 -5.271 1.00 0.57 C ATOM 378 O THR A 26 -10.518 -11.763 -4.784 1.00 0.64 O ATOM 379 CB THR A 26 -9.435 -14.698 -6.171 1.00 0.60 C ATOM 380 OG1 THR A 26 -10.811 -14.873 -6.544 1.00 0.63 O ATOM 381 CG2 THR A 26 -8.784 -16.053 -5.983 1.00 0.64 C ATOM 0 H THR A 26 -11.246 -14.410 -4.270 1.00 0.62 H new ATOM 0 HA THR A 26 -8.356 -13.968 -4.437 1.00 0.58 H new ATOM 0 HB THR A 26 -8.909 -14.165 -6.962 1.00 0.60 H new ATOM 0 HG1 THR A 26 -10.891 -15.640 -7.149 1.00 0.63 H new ATOM 0 HG21 THR A 26 -8.863 -16.626 -6.907 1.00 0.64 H new ATOM 0 HG22 THR A 26 -7.733 -15.919 -5.728 1.00 0.64 H new ATOM 0 HG23 THR A 26 -9.287 -16.590 -5.179 1.00 0.64 H new ATOM 389 N ILE A 27 -8.714 -11.910 -6.150 1.00 0.54 N ATOM 390 CA ILE A 27 -8.760 -10.570 -6.661 1.00 0.53 C ATOM 391 C ILE A 27 -9.100 -10.559 -8.107 1.00 0.53 C ATOM 392 O ILE A 27 -8.486 -11.244 -8.905 1.00 0.51 O ATOM 393 CB ILE A 27 -7.431 -9.878 -6.427 1.00 0.49 C ATOM 394 CG1 ILE A 27 -7.503 -9.280 -5.054 1.00 0.52 C ATOM 395 CG2 ILE A 27 -7.102 -8.808 -7.475 1.00 0.47 C ATOM 396 CD1 ILE A 27 -6.455 -9.796 -4.098 1.00 0.54 C ATOM 0 H ILE A 27 -7.941 -12.458 -6.528 1.00 0.54 H new ATOM 0 HA ILE A 27 -9.542 -10.029 -6.128 1.00 0.53 H new ATOM 0 HB ILE A 27 -6.624 -10.606 -6.516 1.00 0.49 H new ATOM 0 HG12 ILE A 27 -7.403 -8.198 -5.136 1.00 0.52 H new ATOM 0 HG13 ILE A 27 -8.490 -9.478 -4.635 1.00 0.52 H new ATOM 0 HG21 ILE A 27 -6.138 -8.356 -7.243 1.00 0.47 H new ATOM 0 HG22 ILE A 27 -7.060 -9.267 -8.463 1.00 0.47 H new ATOM 0 HG23 ILE A 27 -7.875 -8.039 -7.465 1.00 0.47 H new ATOM 0 HD11 ILE A 27 -6.577 -9.313 -3.129 1.00 0.54 H new ATOM 0 HD12 ILE A 27 -6.567 -10.874 -3.983 1.00 0.54 H new ATOM 0 HD13 ILE A 27 -5.463 -9.574 -4.491 1.00 0.54 H new ATOM 408 N THR A 28 -10.029 -9.713 -8.431 1.00 0.59 N ATOM 409 CA THR A 28 -10.485 -9.594 -9.793 1.00 0.61 C ATOM 410 C THR A 28 -9.909 -8.372 -10.456 1.00 0.58 C ATOM 411 O THR A 28 -9.364 -7.467 -9.815 1.00 0.57 O ATOM 412 CB THR A 28 -12.015 -9.537 -9.862 1.00 0.69 C ATOM 413 OG1 THR A 28 -12.603 -10.103 -8.681 1.00 0.75 O ATOM 414 CG2 THR A 28 -12.554 -10.263 -11.092 1.00 0.73 C ATOM 0 H THR A 28 -10.492 -9.089 -7.771 1.00 0.59 H new ATOM 0 HA THR A 28 -10.139 -10.481 -10.324 1.00 0.61 H new ATOM 0 HB THR A 28 -12.288 -8.484 -9.934 1.00 0.69 H new ATOM 0 HG1 THR A 28 -13.580 -10.054 -8.746 1.00 0.75 H new ATOM 0 HG21 THR A 28 -13.642 -10.200 -11.104 1.00 0.73 H new ATOM 0 HG22 THR A 28 -12.153 -9.799 -11.993 1.00 0.73 H new ATOM 0 HG23 THR A 28 -12.252 -11.310 -11.058 1.00 0.73 H new ATOM 422 N THR A 29 -10.059 -8.388 -11.761 1.00 0.58 N ATOM 423 CA THR A 29 -9.583 -7.341 -12.642 1.00 0.57 C ATOM 424 C THR A 29 -10.329 -6.022 -12.390 1.00 0.62 C ATOM 425 O THR A 29 -9.697 -4.976 -12.291 1.00 0.64 O ATOM 426 CB THR A 29 -9.694 -7.755 -14.147 1.00 0.58 C ATOM 427 OG1 THR A 29 -10.853 -7.177 -14.763 1.00 0.66 O ATOM 428 CG2 THR A 29 -9.754 -9.264 -14.341 1.00 0.59 C ATOM 0 H THR A 29 -10.527 -9.148 -12.254 1.00 0.58 H new ATOM 0 HA THR A 29 -8.528 -7.188 -12.416 1.00 0.57 H new ATOM 0 HB THR A 29 -8.787 -7.377 -14.620 1.00 0.58 H new ATOM 0 HG1 THR A 29 -11.355 -7.874 -15.234 1.00 0.66 H new ATOM 0 HG21 THR A 29 -9.830 -9.491 -15.404 1.00 0.59 H new ATOM 0 HG22 THR A 29 -8.850 -9.719 -13.937 1.00 0.59 H new ATOM 0 HG23 THR A 29 -10.625 -9.663 -13.821 1.00 0.59 H new ATOM 436 N LYS A 30 -11.664 -6.099 -12.195 1.00 0.77 N ATOM 437 CA LYS A 30 -12.513 -4.904 -11.975 1.00 0.85 C ATOM 438 C LYS A 30 -11.902 -3.914 -10.966 1.00 0.84 C ATOM 439 O LYS A 30 -12.051 -2.702 -11.120 1.00 0.93 O ATOM 440 CB LYS A 30 -13.943 -5.310 -11.547 1.00 1.01 C ATOM 441 CG LYS A 30 -14.073 -5.938 -10.143 1.00 1.06 C ATOM 442 CD LYS A 30 -14.654 -7.354 -10.181 1.00 1.10 C ATOM 443 CE LYS A 30 -16.178 -7.351 -10.275 1.00 1.16 C ATOM 444 NZ LYS A 30 -16.734 -8.732 -10.314 1.00 1.66 N ATOM 0 H LYS A 30 -12.180 -6.979 -12.185 1.00 0.77 H new ATOM 0 HA LYS A 30 -12.568 -4.384 -12.931 1.00 0.85 H new ATOM 0 HB2 LYS A 30 -14.579 -4.426 -11.589 1.00 1.01 H new ATOM 0 HB3 LYS A 30 -14.333 -6.018 -12.278 1.00 1.01 H new ATOM 0 HG2 LYS A 30 -13.092 -5.965 -9.669 1.00 1.06 H new ATOM 0 HG3 LYS A 30 -14.709 -5.305 -9.524 1.00 1.06 H new ATOM 0 HD2 LYS A 30 -14.240 -7.892 -11.034 1.00 1.10 H new ATOM 0 HD3 LYS A 30 -14.348 -7.894 -9.285 1.00 1.10 H new ATOM 0 HE2 LYS A 30 -16.593 -6.816 -9.421 1.00 1.16 H new ATOM 0 HE3 LYS A 30 -16.486 -6.810 -11.170 1.00 1.16 H new ATOM 0 HZ1 LYS A 30 -17.771 -8.687 -10.378 1.00 1.66 H new ATOM 0 HZ2 LYS A 30 -16.358 -9.235 -11.143 1.00 1.66 H new ATOM 0 HZ3 LYS A 30 -16.462 -9.240 -9.448 1.00 1.66 H new ATOM 458 N GLU A 31 -11.223 -4.451 -9.944 1.00 0.82 N ATOM 459 CA GLU A 31 -10.568 -3.644 -8.927 1.00 0.87 C ATOM 460 C GLU A 31 -9.146 -3.265 -9.330 1.00 0.78 C ATOM 461 O GLU A 31 -8.783 -2.098 -9.253 1.00 0.81 O ATOM 462 CB GLU A 31 -10.559 -4.379 -7.585 1.00 1.02 C ATOM 463 CG GLU A 31 -10.008 -3.608 -6.367 1.00 1.82 C ATOM 464 CD GLU A 31 -10.435 -2.147 -6.256 1.00 2.69 C ATOM 465 OE1 GLU A 31 -11.141 -1.811 -5.282 1.00 3.34 O ATOM 466 OE2 GLU A 31 -10.057 -1.342 -7.133 1.00 3.27 O ATOM 0 H GLU A 31 -11.117 -5.456 -9.806 1.00 0.82 H new ATOM 0 HA GLU A 31 -11.139 -2.721 -8.826 1.00 0.87 H new ATOM 0 HB2 GLU A 31 -11.581 -4.684 -7.359 1.00 1.02 H new ATOM 0 HB3 GLU A 31 -9.973 -5.291 -7.702 1.00 1.02 H new ATOM 0 HG2 GLU A 31 -10.320 -4.128 -5.461 1.00 1.82 H new ATOM 0 HG3 GLU A 31 -8.919 -3.647 -6.399 1.00 1.82 H new ATOM 473 N LEU A 32 -8.368 -4.259 -9.790 1.00 0.68 N ATOM 474 CA LEU A 32 -6.954 -4.076 -10.166 1.00 0.60 C ATOM 475 C LEU A 32 -6.699 -2.835 -11.017 1.00 0.66 C ATOM 476 O LEU A 32 -5.666 -2.197 -10.841 1.00 0.72 O ATOM 477 CB LEU A 32 -6.427 -5.361 -10.845 1.00 0.54 C ATOM 478 CG LEU A 32 -4.915 -5.440 -11.182 1.00 0.46 C ATOM 479 CD1 LEU A 32 -4.027 -5.005 -10.017 1.00 0.49 C ATOM 480 CD2 LEU A 32 -4.550 -6.852 -11.592 1.00 0.44 C ATOM 0 H LEU A 32 -8.702 -5.215 -9.912 1.00 0.68 H new ATOM 0 HA LEU A 32 -6.395 -3.900 -9.247 1.00 0.60 H new ATOM 0 HB2 LEU A 32 -6.669 -6.204 -10.198 1.00 0.54 H new ATOM 0 HB3 LEU A 32 -6.983 -5.501 -11.772 1.00 0.54 H new ATOM 0 HG LEU A 32 -4.738 -4.748 -12.005 1.00 0.46 H new ATOM 0 HD11 LEU A 32 -2.980 -5.081 -10.310 1.00 0.49 H new ATOM 0 HD12 LEU A 32 -4.256 -3.973 -9.751 1.00 0.49 H new ATOM 0 HD13 LEU A 32 -4.211 -5.651 -9.158 1.00 0.49 H new ATOM 0 HD21 LEU A 32 -3.487 -6.899 -11.827 1.00 0.44 H new ATOM 0 HD22 LEU A 32 -4.772 -7.537 -10.774 1.00 0.44 H new ATOM 0 HD23 LEU A 32 -5.129 -7.137 -12.471 1.00 0.44 H new ATOM 492 N GLY A 33 -7.627 -2.501 -11.915 1.00 0.71 N ATOM 493 CA GLY A 33 -7.473 -1.300 -12.730 1.00 0.80 C ATOM 494 C GLY A 33 -7.946 -0.062 -12.010 1.00 0.83 C ATOM 495 O GLY A 33 -7.430 1.039 -12.224 1.00 0.91 O ATOM 0 H GLY A 33 -8.477 -3.035 -12.093 1.00 0.71 H new ATOM 0 HA2 GLY A 33 -6.425 -1.181 -13.005 1.00 0.80 H new ATOM 0 HA3 GLY A 33 -8.035 -1.417 -13.657 1.00 0.80 H new ATOM 499 N THR A 34 -8.944 -0.264 -11.166 1.00 0.80 N ATOM 500 CA THR A 34 -9.499 0.783 -10.312 1.00 0.84 C ATOM 501 C THR A 34 -8.491 1.126 -9.206 1.00 0.83 C ATOM 502 O THR A 34 -8.551 2.199 -8.599 1.00 0.88 O ATOM 503 CB THR A 34 -10.789 0.285 -9.647 1.00 0.87 C ATOM 504 OG1 THR A 34 -11.665 -0.266 -10.635 1.00 0.89 O ATOM 505 CG2 THR A 34 -11.525 1.393 -8.891 1.00 0.96 C ATOM 0 H THR A 34 -9.400 -1.169 -11.050 1.00 0.80 H new ATOM 0 HA THR A 34 -9.709 1.661 -10.923 1.00 0.84 H new ATOM 0 HB THR A 34 -10.499 -0.477 -8.924 1.00 0.87 H new ATOM 0 HG1 THR A 34 -11.447 -1.211 -10.775 1.00 0.89 H new ATOM 0 HG21 THR A 34 -12.430 0.986 -8.440 1.00 0.96 H new ATOM 0 HG22 THR A 34 -10.878 1.792 -8.110 1.00 0.96 H new ATOM 0 HG23 THR A 34 -11.792 2.191 -9.584 1.00 0.96 H new ATOM 513 N VAL A 35 -7.572 0.180 -8.970 1.00 0.77 N ATOM 514 CA VAL A 35 -6.533 0.319 -7.935 1.00 0.79 C ATOM 515 C VAL A 35 -5.372 1.177 -8.457 1.00 0.80 C ATOM 516 O VAL A 35 -5.079 2.262 -7.950 1.00 0.86 O ATOM 517 CB VAL A 35 -5.972 -1.083 -7.542 1.00 0.76 C ATOM 518 CG1 VAL A 35 -4.811 -0.987 -6.550 1.00 0.80 C ATOM 519 CG2 VAL A 35 -7.061 -1.965 -6.965 1.00 0.79 C ATOM 0 H VAL A 35 -7.526 -0.699 -9.486 1.00 0.77 H new ATOM 0 HA VAL A 35 -6.985 0.796 -7.065 1.00 0.79 H new ATOM 0 HB VAL A 35 -5.594 -1.531 -8.461 1.00 0.76 H new ATOM 0 HG11 VAL A 35 -4.456 -1.989 -6.308 1.00 0.80 H new ATOM 0 HG12 VAL A 35 -3.999 -0.412 -6.995 1.00 0.80 H new ATOM 0 HG13 VAL A 35 -5.150 -0.492 -5.640 1.00 0.80 H new ATOM 0 HG21 VAL A 35 -6.641 -2.935 -6.700 1.00 0.79 H new ATOM 0 HG22 VAL A 35 -7.477 -1.494 -6.074 1.00 0.79 H new ATOM 0 HG23 VAL A 35 -7.850 -2.101 -7.705 1.00 0.79 H new ATOM 529 N MET A 36 -4.745 0.625 -9.485 1.00 0.77 N ATOM 530 CA MET A 36 -3.586 1.202 -10.198 1.00 0.81 C ATOM 531 C MET A 36 -3.757 2.650 -10.635 1.00 0.80 C ATOM 532 O MET A 36 -2.845 3.463 -10.476 1.00 0.87 O ATOM 533 CB MET A 36 -3.346 0.419 -11.490 1.00 0.87 C ATOM 534 CG MET A 36 -4.608 -0.096 -12.115 1.00 0.86 C ATOM 535 SD MET A 36 -4.310 -1.099 -13.587 1.00 1.10 S ATOM 536 CE MET A 36 -4.041 0.170 -14.828 1.00 1.82 C ATOM 0 H MET A 36 -5.032 -0.275 -9.871 1.00 0.77 H new ATOM 0 HA MET A 36 -2.768 1.148 -9.480 1.00 0.81 H new ATOM 0 HB2 MET A 36 -2.830 1.060 -12.205 1.00 0.87 H new ATOM 0 HB3 MET A 36 -2.684 -0.421 -11.280 1.00 0.87 H new ATOM 0 HG2 MET A 36 -5.153 -0.690 -11.382 1.00 0.86 H new ATOM 0 HG3 MET A 36 -5.246 0.747 -12.380 1.00 0.86 H new ATOM 0 HE1 MET A 36 -4.797 0.082 -15.608 1.00 1.82 H new ATOM 0 HE2 MET A 36 -4.111 1.154 -14.364 1.00 1.82 H new ATOM 0 HE3 MET A 36 -3.051 0.046 -15.267 1.00 1.82 H new ATOM 546 N ARG A 37 -4.938 2.944 -11.186 1.00 0.79 N ATOM 547 CA ARG A 37 -5.237 4.245 -11.782 1.00 0.85 C ATOM 548 C ARG A 37 -4.778 5.452 -10.956 1.00 0.94 C ATOM 549 O ARG A 37 -3.999 6.287 -11.424 1.00 1.01 O ATOM 550 CB ARG A 37 -6.737 4.393 -12.109 1.00 0.96 C ATOM 551 CG ARG A 37 -7.698 3.869 -11.041 1.00 1.49 C ATOM 552 CD ARG A 37 -9.121 4.372 -11.264 1.00 1.68 C ATOM 553 NE ARG A 37 -9.243 5.823 -11.054 1.00 2.53 N ATOM 554 CZ ARG A 37 -10.389 6.513 -11.136 1.00 2.93 C ATOM 555 NH1 ARG A 37 -11.540 5.906 -11.424 1.00 2.47 N ATOM 556 NH2 ARG A 37 -10.382 7.822 -10.929 1.00 3.94 N ATOM 0 H ARG A 37 -5.714 2.284 -11.230 1.00 0.79 H new ATOM 0 HA ARG A 37 -4.651 4.253 -12.701 1.00 0.85 H new ATOM 0 HB2 ARG A 37 -6.951 5.448 -12.280 1.00 0.96 H new ATOM 0 HB3 ARG A 37 -6.941 3.871 -13.044 1.00 0.96 H new ATOM 0 HG2 ARG A 37 -7.692 2.779 -11.050 1.00 1.49 H new ATOM 0 HG3 ARG A 37 -7.352 4.182 -10.056 1.00 1.49 H new ATOM 0 HD2 ARG A 37 -9.435 4.127 -12.279 1.00 1.68 H new ATOM 0 HD3 ARG A 37 -9.798 3.852 -10.586 1.00 1.68 H new ATOM 0 HE ARG A 37 -8.394 6.342 -10.830 1.00 2.53 H new ATOM 0 HH11 ARG A 37 -11.559 4.899 -11.586 1.00 2.47 H new ATOM 0 HH12 ARG A 37 -12.402 6.448 -11.482 1.00 2.47 H new ATOM 0 HH21 ARG A 37 -9.508 8.299 -10.709 1.00 3.94 H new ATOM 0 HH22 ARG A 37 -11.251 8.353 -10.990 1.00 3.94 H new ATOM 570 N SER A 38 -5.280 5.510 -9.734 1.00 1.00 N ATOM 571 CA SER A 38 -4.985 6.589 -8.766 1.00 1.16 C ATOM 572 C SER A 38 -3.480 6.784 -8.467 1.00 1.17 C ATOM 573 O SER A 38 -3.112 7.720 -7.748 1.00 1.33 O ATOM 574 CB SER A 38 -5.739 6.324 -7.460 1.00 1.37 C ATOM 575 OG SER A 38 -7.139 6.285 -7.678 1.00 1.82 O ATOM 0 H SER A 38 -5.917 4.803 -9.366 1.00 1.00 H new ATOM 0 HA SER A 38 -5.320 7.515 -9.233 1.00 1.16 H new ATOM 0 HB2 SER A 38 -5.408 5.378 -7.031 1.00 1.37 H new ATOM 0 HB3 SER A 38 -5.502 7.103 -6.735 1.00 1.37 H new ATOM 0 HG SER A 38 -7.598 6.113 -6.829 1.00 1.82 H new ATOM 581 N LEU A 39 -2.622 5.916 -9.022 1.00 1.11 N ATOM 582 CA LEU A 39 -1.181 6.006 -8.816 1.00 1.26 C ATOM 583 C LEU A 39 -0.527 6.933 -9.869 1.00 1.23 C ATOM 584 O LEU A 39 0.616 7.366 -9.699 1.00 1.39 O ATOM 585 CB LEU A 39 -0.580 4.552 -8.729 1.00 1.42 C ATOM 586 CG LEU A 39 0.473 4.030 -9.757 1.00 1.43 C ATOM 587 CD1 LEU A 39 -0.005 4.133 -11.198 1.00 1.18 C ATOM 588 CD2 LEU A 39 1.831 4.705 -9.579 1.00 2.07 C ATOM 0 H LEU A 39 -2.910 5.141 -9.620 1.00 1.11 H new ATOM 0 HA LEU A 39 -0.952 6.485 -7.864 1.00 1.26 H new ATOM 0 HB2 LEU A 39 -0.129 4.457 -7.741 1.00 1.42 H new ATOM 0 HB3 LEU A 39 -1.422 3.861 -8.763 1.00 1.42 H new ATOM 0 HG LEU A 39 0.598 2.969 -9.541 1.00 1.43 H new ATOM 0 HD11 LEU A 39 0.769 3.755 -11.866 1.00 1.18 H new ATOM 0 HD12 LEU A 39 -0.912 3.542 -11.323 1.00 1.18 H new ATOM 0 HD13 LEU A 39 -0.215 5.175 -11.438 1.00 1.18 H new ATOM 0 HD21 LEU A 39 2.532 4.311 -10.315 1.00 2.07 H new ATOM 0 HD22 LEU A 39 1.724 5.781 -9.719 1.00 2.07 H new ATOM 0 HD23 LEU A 39 2.208 4.505 -8.576 1.00 2.07 H new ATOM 600 N GLY A 40 -1.286 7.256 -10.929 1.00 1.12 N ATOM 601 CA GLY A 40 -0.792 8.137 -11.985 1.00 1.21 C ATOM 602 C GLY A 40 -0.532 7.440 -13.308 1.00 1.24 C ATOM 603 O GLY A 40 0.372 7.830 -14.053 1.00 1.48 O ATOM 0 H GLY A 40 -2.238 6.919 -11.072 1.00 1.12 H new ATOM 0 HA2 GLY A 40 -1.516 8.936 -12.144 1.00 1.21 H new ATOM 0 HA3 GLY A 40 0.132 8.607 -11.648 1.00 1.21 H new ATOM 607 N GLN A 41 -1.326 6.414 -13.589 1.00 1.05 N ATOM 608 CA GLN A 41 -1.220 5.651 -14.838 1.00 1.08 C ATOM 609 C GLN A 41 -2.489 5.822 -15.680 1.00 1.03 C ATOM 610 O GLN A 41 -3.485 6.374 -15.202 1.00 1.04 O ATOM 611 CB GLN A 41 -0.983 4.165 -14.528 1.00 1.08 C ATOM 612 CG GLN A 41 0.002 3.472 -15.467 1.00 1.30 C ATOM 613 CD GLN A 41 -0.675 2.796 -16.645 1.00 2.18 C ATOM 614 OE1 GLN A 41 -0.790 3.372 -17.726 1.00 2.69 O ATOM 615 NE2 GLN A 41 -1.127 1.565 -16.439 1.00 3.01 N ATOM 0 H GLN A 41 -2.061 6.084 -12.963 1.00 1.05 H new ATOM 0 HA GLN A 41 -0.373 6.032 -15.409 1.00 1.08 H new ATOM 0 HB2 GLN A 41 -0.616 4.074 -13.506 1.00 1.08 H new ATOM 0 HB3 GLN A 41 -1.938 3.641 -14.572 1.00 1.08 H new ATOM 0 HG2 GLN A 41 0.718 4.205 -15.839 1.00 1.30 H new ATOM 0 HG3 GLN A 41 0.569 2.729 -14.906 1.00 1.30 H new ATOM 0 HE21 GLN A 41 -1.010 1.125 -15.526 1.00 3.01 H new ATOM 0 HE22 GLN A 41 -1.591 1.059 -17.193 1.00 3.01 H new ATOM 624 N ASN A 42 -2.442 5.344 -16.934 1.00 1.26 N ATOM 625 CA ASN A 42 -3.586 5.421 -17.854 1.00 1.34 C ATOM 626 C ASN A 42 -4.660 4.377 -17.470 1.00 0.89 C ATOM 627 O ASN A 42 -4.445 3.175 -17.664 1.00 1.50 O ATOM 628 CB ASN A 42 -3.125 5.203 -19.302 1.00 2.22 C ATOM 629 CG ASN A 42 -2.306 6.364 -19.837 1.00 3.03 C ATOM 630 OD1 ASN A 42 -2.849 7.309 -20.409 1.00 3.77 O ATOM 631 ND2 ASN A 42 -0.993 6.297 -19.652 1.00 3.37 N ATOM 0 H ASN A 42 -1.617 4.897 -17.335 1.00 1.26 H new ATOM 0 HA ASN A 42 -4.025 6.416 -17.775 1.00 1.34 H new ATOM 0 HB2 ASN A 42 -2.532 4.290 -19.357 1.00 2.22 H new ATOM 0 HB3 ASN A 42 -3.997 5.055 -19.938 1.00 2.22 H new ATOM 0 HD21 ASN A 42 -0.391 7.048 -19.990 1.00 3.37 H new ATOM 0 HD22 ASN A 42 -0.586 5.494 -19.172 1.00 3.37 H new ATOM 638 N PRO A 43 -5.832 4.811 -16.898 1.00 1.06 N ATOM 639 CA PRO A 43 -6.907 3.882 -16.480 1.00 1.66 C ATOM 640 C PRO A 43 -7.561 3.118 -17.644 1.00 1.29 C ATOM 641 O PRO A 43 -8.558 3.568 -18.225 1.00 1.26 O ATOM 642 CB PRO A 43 -7.937 4.794 -15.786 1.00 2.73 C ATOM 643 CG PRO A 43 -7.222 6.068 -15.504 1.00 2.76 C ATOM 644 CD PRO A 43 -6.201 6.216 -16.592 1.00 1.85 C ATOM 0 HA PRO A 43 -6.507 3.096 -15.840 1.00 1.66 H new ATOM 0 HB2 PRO A 43 -8.803 4.964 -16.426 1.00 2.73 H new ATOM 0 HB3 PRO A 43 -8.305 4.340 -14.866 1.00 2.73 H new ATOM 0 HG2 PRO A 43 -7.913 6.911 -15.500 1.00 2.76 H new ATOM 0 HG3 PRO A 43 -6.747 6.040 -14.523 1.00 2.76 H new ATOM 0 HD2 PRO A 43 -6.612 6.724 -17.464 1.00 1.85 H new ATOM 0 HD3 PRO A 43 -5.340 6.796 -16.261 1.00 1.85 H new ATOM 652 N THR A 44 -6.967 1.969 -17.993 1.00 1.26 N ATOM 653 CA THR A 44 -7.491 1.113 -19.049 1.00 1.00 C ATOM 654 C THR A 44 -8.431 0.056 -18.482 1.00 0.85 C ATOM 655 O THR A 44 -8.319 -0.335 -17.316 1.00 0.89 O ATOM 656 CB THR A 44 -6.370 0.410 -19.836 1.00 1.17 C ATOM 657 OG1 THR A 44 -5.086 0.746 -19.298 1.00 1.51 O ATOM 658 CG2 THR A 44 -6.421 0.815 -21.284 1.00 1.33 C ATOM 0 H THR A 44 -6.118 1.615 -17.552 1.00 1.26 H new ATOM 0 HA THR A 44 -8.038 1.766 -19.729 1.00 1.00 H new ATOM 0 HB THR A 44 -6.521 -0.666 -19.751 1.00 1.17 H new ATOM 0 HG1 THR A 44 -4.384 0.422 -19.900 1.00 1.51 H new ATOM 0 HG21 THR A 44 -5.624 0.312 -21.831 1.00 1.33 H new ATOM 0 HG22 THR A 44 -7.385 0.533 -21.707 1.00 1.33 H new ATOM 0 HG23 THR A 44 -6.291 1.894 -21.365 1.00 1.33 H new ATOM 666 N GLU A 45 -9.352 -0.396 -19.331 1.00 0.76 N ATOM 667 CA GLU A 45 -10.352 -1.403 -18.965 1.00 0.72 C ATOM 668 C GLU A 45 -9.775 -2.801 -19.083 1.00 0.71 C ATOM 669 O GLU A 45 -10.213 -3.715 -18.397 1.00 0.70 O ATOM 670 CB GLU A 45 -11.606 -1.273 -19.836 1.00 0.79 C ATOM 671 CG GLU A 45 -12.451 -0.047 -19.521 1.00 0.85 C ATOM 672 CD GLU A 45 -13.683 0.052 -20.399 1.00 1.41 C ATOM 673 OE1 GLU A 45 -14.739 -0.486 -20.005 1.00 2.03 O ATOM 674 OE2 GLU A 45 -13.592 0.669 -21.481 1.00 1.97 O ATOM 0 H GLU A 45 -9.428 -0.074 -20.296 1.00 0.76 H new ATOM 0 HA GLU A 45 -10.635 -1.230 -17.927 1.00 0.72 H new ATOM 0 HB2 GLU A 45 -11.307 -1.237 -20.883 1.00 0.79 H new ATOM 0 HB3 GLU A 45 -12.218 -2.166 -19.710 1.00 0.79 H new ATOM 0 HG2 GLU A 45 -12.756 -0.079 -18.475 1.00 0.85 H new ATOM 0 HG3 GLU A 45 -11.845 0.850 -19.649 1.00 0.85 H new ATOM 681 N ALA A 46 -8.851 -2.970 -20.026 1.00 0.75 N ATOM 682 CA ALA A 46 -8.177 -4.234 -20.228 1.00 0.78 C ATOM 683 C ALA A 46 -6.929 -4.345 -19.373 1.00 0.76 C ATOM 684 O ALA A 46 -6.456 -5.449 -19.145 1.00 0.77 O ATOM 685 CB ALA A 46 -7.855 -4.451 -21.698 1.00 0.90 C ATOM 0 H ALA A 46 -8.555 -2.233 -20.665 1.00 0.75 H new ATOM 0 HA ALA A 46 -8.859 -5.023 -19.912 1.00 0.78 H new ATOM 0 HB1 ALA A 46 -7.349 -5.408 -21.822 1.00 0.90 H new ATOM 0 HB2 ALA A 46 -8.779 -4.451 -22.277 1.00 0.90 H new ATOM 0 HB3 ALA A 46 -7.206 -3.649 -22.051 1.00 0.90 H new ATOM 691 N GLU A 47 -6.396 -3.201 -18.893 1.00 0.77 N ATOM 692 CA GLU A 47 -5.177 -3.211 -18.040 1.00 0.81 C ATOM 693 C GLU A 47 -5.329 -4.111 -16.819 1.00 0.68 C ATOM 694 O GLU A 47 -4.360 -4.717 -16.375 1.00 0.62 O ATOM 695 CB GLU A 47 -4.804 -1.801 -17.582 1.00 0.95 C ATOM 696 CG GLU A 47 -3.414 -1.348 -18.016 1.00 1.30 C ATOM 697 CD GLU A 47 -2.303 -1.916 -17.152 1.00 1.55 C ATOM 698 OE1 GLU A 47 -2.019 -3.126 -17.268 1.00 2.16 O ATOM 699 OE2 GLU A 47 -1.715 -1.147 -16.363 1.00 2.13 O ATOM 0 H GLU A 47 -6.778 -2.273 -19.074 1.00 0.77 H new ATOM 0 HA GLU A 47 -4.378 -3.612 -18.664 1.00 0.81 H new ATOM 0 HB2 GLU A 47 -5.541 -1.098 -17.971 1.00 0.95 H new ATOM 0 HB3 GLU A 47 -4.865 -1.757 -16.495 1.00 0.95 H new ATOM 0 HG2 GLU A 47 -3.249 -1.646 -19.051 1.00 1.30 H new ATOM 0 HG3 GLU A 47 -3.368 -0.259 -17.986 1.00 1.30 H new ATOM 706 N LEU A 48 -6.547 -4.189 -16.290 1.00 0.66 N ATOM 707 CA LEU A 48 -6.853 -5.033 -15.145 1.00 0.59 C ATOM 708 C LEU A 48 -7.056 -6.486 -15.590 1.00 0.55 C ATOM 709 O LEU A 48 -6.605 -7.403 -14.906 1.00 0.56 O ATOM 710 CB LEU A 48 -8.054 -4.465 -14.369 1.00 0.61 C ATOM 711 CG LEU A 48 -9.102 -3.681 -15.176 1.00 0.76 C ATOM 712 CD1 LEU A 48 -9.907 -4.614 -16.037 1.00 0.87 C ATOM 713 CD2 LEU A 48 -10.038 -2.880 -14.279 1.00 1.24 C ATOM 0 H LEU A 48 -7.348 -3.667 -16.645 1.00 0.66 H new ATOM 0 HA LEU A 48 -6.008 -5.035 -14.456 1.00 0.59 H new ATOM 0 HB2 LEU A 48 -8.559 -5.294 -13.874 1.00 0.61 H new ATOM 0 HB3 LEU A 48 -7.672 -3.811 -13.585 1.00 0.61 H new ATOM 0 HG LEU A 48 -8.557 -2.977 -15.805 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -10.644 -4.043 -16.602 1.00 0.87 H new ATOM 0 HD12 LEU A 48 -9.244 -5.134 -16.728 1.00 0.87 H new ATOM 0 HD13 LEU A 48 -10.417 -5.342 -15.406 1.00 0.87 H new ATOM 0 HD21 LEU A 48 -10.760 -2.343 -14.894 1.00 1.24 H new ATOM 0 HD22 LEU A 48 -10.566 -3.557 -13.607 1.00 1.24 H new ATOM 0 HD23 LEU A 48 -9.458 -2.166 -13.694 1.00 1.24 H new ATOM 725 N GLN A 49 -7.727 -6.694 -16.740 1.00 0.57 N ATOM 726 CA GLN A 49 -7.910 -8.038 -17.310 1.00 0.60 C ATOM 727 C GLN A 49 -6.589 -8.538 -17.919 1.00 0.59 C ATOM 728 O GLN A 49 -6.391 -9.744 -18.093 1.00 0.61 O ATOM 729 CB GLN A 49 -9.007 -8.035 -18.383 1.00 0.67 C ATOM 730 CG GLN A 49 -10.414 -7.822 -17.843 1.00 0.80 C ATOM 731 CD GLN A 49 -11.428 -7.579 -18.943 1.00 1.03 C ATOM 732 OE1 GLN A 49 -12.033 -8.516 -19.464 1.00 1.67 O ATOM 733 NE2 GLN A 49 -11.620 -6.315 -19.302 1.00 1.52 N ATOM 0 H GLN A 49 -8.150 -5.947 -17.290 1.00 0.57 H new ATOM 0 HA GLN A 49 -8.215 -8.708 -16.506 1.00 0.60 H new ATOM 0 HB2 GLN A 49 -8.787 -7.252 -19.108 1.00 0.67 H new ATOM 0 HB3 GLN A 49 -8.976 -8.983 -18.919 1.00 0.67 H new ATOM 0 HG2 GLN A 49 -10.713 -8.696 -17.264 1.00 0.80 H new ATOM 0 HG3 GLN A 49 -10.413 -6.972 -17.160 1.00 0.80 H new ATOM 0 HE21 GLN A 49 -11.097 -5.569 -18.843 1.00 1.52 H new ATOM 0 HE22 GLN A 49 -12.291 -6.090 -20.037 1.00 1.52 H new ATOM 742 N ASP A 50 -5.697 -7.581 -18.237 1.00 0.58 N ATOM 743 CA ASP A 50 -4.376 -7.869 -18.801 1.00 0.57 C ATOM 744 C ASP A 50 -3.371 -8.107 -17.673 1.00 0.49 C ATOM 745 O ASP A 50 -2.563 -9.036 -17.747 1.00 0.48 O ATOM 746 CB ASP A 50 -3.901 -6.721 -19.704 1.00 0.63 C ATOM 747 CG ASP A 50 -2.905 -7.174 -20.758 1.00 1.03 C ATOM 748 OD1 ASP A 50 -1.689 -7.148 -20.476 1.00 1.83 O ATOM 749 OD2 ASP A 50 -3.344 -7.556 -21.864 1.00 1.48 O ATOM 0 H ASP A 50 -5.878 -6.586 -18.108 1.00 0.58 H new ATOM 0 HA ASP A 50 -4.450 -8.769 -19.411 1.00 0.57 H new ATOM 0 HB2 ASP A 50 -4.763 -6.271 -20.195 1.00 0.63 H new ATOM 0 HB3 ASP A 50 -3.444 -5.946 -19.089 1.00 0.63 H new ATOM 754 N MET A 51 -3.416 -7.246 -16.630 1.00 0.45 N ATOM 755 CA MET A 51 -2.522 -7.394 -15.461 1.00 0.41 C ATOM 756 C MET A 51 -2.692 -8.758 -14.776 1.00 0.39 C ATOM 757 O MET A 51 -1.734 -9.277 -14.195 1.00 0.38 O ATOM 758 CB MET A 51 -2.728 -6.273 -14.433 1.00 0.41 C ATOM 759 CG MET A 51 -1.907 -5.028 -14.718 1.00 0.48 C ATOM 760 SD MET A 51 -2.069 -3.783 -13.424 1.00 1.31 S ATOM 761 CE MET A 51 -0.765 -2.645 -13.881 1.00 1.31 C ATOM 0 H MET A 51 -4.054 -6.452 -16.575 1.00 0.45 H new ATOM 0 HA MET A 51 -1.506 -7.325 -15.850 1.00 0.41 H new ATOM 0 HB2 MET A 51 -3.784 -6.004 -14.408 1.00 0.41 H new ATOM 0 HB3 MET A 51 -2.471 -6.648 -13.442 1.00 0.41 H new ATOM 0 HG2 MET A 51 -0.858 -5.305 -14.822 1.00 0.48 H new ATOM 0 HG3 MET A 51 -2.220 -4.600 -15.670 1.00 0.48 H new ATOM 0 HE1 MET A 51 -0.019 -2.609 -13.087 1.00 1.31 H new ATOM 0 HE2 MET A 51 -0.296 -2.981 -14.806 1.00 1.31 H new ATOM 0 HE3 MET A 51 -1.185 -1.650 -14.029 1.00 1.31 H new ATOM 771 N ILE A 52 -3.909 -9.334 -14.845 1.00 0.41 N ATOM 772 CA ILE A 52 -4.167 -10.651 -14.244 1.00 0.42 C ATOM 773 C ILE A 52 -3.804 -11.791 -15.216 1.00 0.46 C ATOM 774 O ILE A 52 -3.699 -12.950 -14.810 1.00 0.49 O ATOM 775 CB ILE A 52 -5.616 -10.849 -13.723 1.00 0.45 C ATOM 776 CG1 ILE A 52 -6.108 -9.582 -13.008 1.00 0.45 C ATOM 777 CG2 ILE A 52 -5.665 -12.039 -12.792 1.00 0.47 C ATOM 778 CD1 ILE A 52 -6.808 -9.751 -11.651 1.00 0.48 C ATOM 0 H ILE A 52 -4.716 -8.912 -15.305 1.00 0.41 H new ATOM 0 HA ILE A 52 -3.518 -10.686 -13.369 1.00 0.42 H new ATOM 0 HB ILE A 52 -6.276 -11.037 -14.570 1.00 0.45 H new ATOM 0 HG12 ILE A 52 -5.250 -8.925 -12.863 1.00 0.45 H new ATOM 0 HG13 ILE A 52 -6.796 -9.065 -13.677 1.00 0.45 H new ATOM 0 HG21 ILE A 52 -6.684 -12.175 -12.428 1.00 0.47 H new ATOM 0 HG22 ILE A 52 -5.349 -12.934 -13.328 1.00 0.47 H new ATOM 0 HG23 ILE A 52 -4.998 -11.868 -11.947 1.00 0.47 H new ATOM 0 HD11 ILE A 52 -7.099 -8.773 -11.267 1.00 0.48 H new ATOM 0 HD12 ILE A 52 -7.696 -10.371 -11.774 1.00 0.48 H new ATOM 0 HD13 ILE A 52 -6.127 -10.229 -10.947 1.00 0.48 H new ATOM 790 N ASN A 53 -3.612 -11.444 -16.495 1.00 0.49 N ATOM 791 CA ASN A 53 -3.278 -12.393 -17.545 1.00 0.56 C ATOM 792 C ASN A 53 -1.827 -12.844 -17.439 1.00 0.58 C ATOM 793 O ASN A 53 -1.530 -14.040 -17.447 1.00 0.65 O ATOM 794 CB ASN A 53 -3.482 -11.689 -18.865 1.00 0.58 C ATOM 795 CG ASN A 53 -4.331 -12.476 -19.844 1.00 0.65 C ATOM 796 OD1 ASN A 53 -5.554 -12.340 -19.871 1.00 1.27 O ATOM 797 ND2 ASN A 53 -3.684 -13.304 -20.656 1.00 1.35 N ATOM 0 H ASN A 53 -3.687 -10.482 -16.826 1.00 0.49 H new ATOM 0 HA ASN A 53 -3.910 -13.277 -17.456 1.00 0.56 H new ATOM 0 HB2 ASN A 53 -3.952 -10.722 -18.684 1.00 0.58 H new ATOM 0 HB3 ASN A 53 -2.510 -11.491 -19.316 1.00 0.58 H new ATOM 0 HD21 ASN A 53 -4.202 -13.859 -21.337 1.00 1.35 H new ATOM 0 HD22 ASN A 53 -2.669 -13.385 -20.599 1.00 1.35 H new ATOM 804 N GLU A 54 -0.935 -11.853 -17.358 1.00 0.55 N ATOM 805 CA GLU A 54 0.511 -12.103 -17.235 1.00 0.59 C ATOM 806 C GLU A 54 0.898 -12.540 -15.832 1.00 0.57 C ATOM 807 O GLU A 54 1.883 -13.264 -15.652 1.00 0.62 O ATOM 808 CB GLU A 54 1.326 -10.877 -17.661 1.00 0.61 C ATOM 809 CG GLU A 54 1.318 -10.623 -19.161 1.00 0.79 C ATOM 810 CD GLU A 54 2.138 -9.409 -19.551 1.00 1.15 C ATOM 811 OE1 GLU A 54 3.348 -9.571 -19.818 1.00 1.78 O ATOM 812 OE2 GLU A 54 1.571 -8.297 -19.590 1.00 1.82 O ATOM 0 H GLU A 54 -1.186 -10.865 -17.375 1.00 0.55 H new ATOM 0 HA GLU A 54 0.746 -12.925 -17.912 1.00 0.59 H new ATOM 0 HB2 GLU A 54 0.934 -9.997 -17.151 1.00 0.61 H new ATOM 0 HB3 GLU A 54 2.356 -11.005 -17.329 1.00 0.61 H new ATOM 0 HG2 GLU A 54 1.708 -11.501 -19.677 1.00 0.79 H new ATOM 0 HG3 GLU A 54 0.290 -10.486 -19.497 1.00 0.79 H new ATOM 819 N VAL A 55 0.124 -12.099 -14.855 1.00 0.50 N ATOM 820 CA VAL A 55 0.341 -12.493 -13.471 1.00 0.48 C ATOM 821 C VAL A 55 -0.813 -13.440 -13.116 1.00 0.48 C ATOM 822 O VAL A 55 -1.418 -13.377 -12.039 1.00 0.45 O ATOM 823 CB VAL A 55 0.424 -11.275 -12.497 1.00 0.44 C ATOM 824 CG1 VAL A 55 1.213 -11.646 -11.244 1.00 0.47 C ATOM 825 CG2 VAL A 55 1.064 -10.059 -13.165 1.00 0.48 C ATOM 0 H VAL A 55 -0.663 -11.466 -14.994 1.00 0.50 H new ATOM 0 HA VAL A 55 1.307 -12.987 -13.362 1.00 0.48 H new ATOM 0 HB VAL A 55 -0.597 -11.012 -12.219 1.00 0.44 H new ATOM 0 HG11 VAL A 55 1.261 -10.786 -10.576 1.00 0.47 H new ATOM 0 HG12 VAL A 55 0.719 -12.474 -10.735 1.00 0.47 H new ATOM 0 HG13 VAL A 55 2.223 -11.944 -11.525 1.00 0.47 H new ATOM 0 HG21 VAL A 55 1.104 -9.233 -12.455 1.00 0.48 H new ATOM 0 HG22 VAL A 55 2.075 -10.310 -13.486 1.00 0.48 H new ATOM 0 HG23 VAL A 55 0.471 -9.765 -14.031 1.00 0.48 H new ATOM 835 N ASP A 56 -1.072 -14.341 -14.084 1.00 0.55 N ATOM 836 CA ASP A 56 -2.160 -15.333 -14.036 1.00 0.60 C ATOM 837 C ASP A 56 -2.081 -16.316 -12.850 1.00 0.61 C ATOM 838 O ASP A 56 -1.300 -17.277 -12.871 1.00 0.65 O ATOM 839 CB ASP A 56 -2.147 -16.115 -15.360 1.00 0.75 C ATOM 840 CG ASP A 56 -3.500 -16.673 -15.746 1.00 0.98 C ATOM 841 OD1 ASP A 56 -3.848 -17.772 -15.265 1.00 1.58 O ATOM 842 OD2 ASP A 56 -4.211 -16.014 -16.533 1.00 1.87 O ATOM 0 H ASP A 56 -0.518 -14.399 -14.938 1.00 0.55 H new ATOM 0 HA ASP A 56 -3.090 -14.783 -13.891 1.00 0.60 H new ATOM 0 HB2 ASP A 56 -1.793 -15.460 -16.156 1.00 0.75 H new ATOM 0 HB3 ASP A 56 -1.434 -16.935 -15.281 1.00 0.75 H new ATOM 847 N ALA A 57 -2.885 -16.041 -11.805 1.00 0.59 N ATOM 848 CA ALA A 57 -2.967 -16.924 -10.634 1.00 0.62 C ATOM 849 C ALA A 57 -4.042 -17.984 -10.841 1.00 0.68 C ATOM 850 O ALA A 57 -3.804 -19.184 -10.674 1.00 0.74 O ATOM 851 CB ALA A 57 -3.284 -16.122 -9.379 1.00 0.60 C ATOM 0 H ALA A 57 -3.483 -15.217 -11.751 1.00 0.59 H new ATOM 0 HA ALA A 57 -2.000 -17.411 -10.511 1.00 0.62 H new ATOM 0 HB1 ALA A 57 -3.341 -16.794 -8.523 1.00 0.60 H new ATOM 0 HB2 ALA A 57 -2.499 -15.385 -9.211 1.00 0.60 H new ATOM 0 HB3 ALA A 57 -4.240 -15.613 -9.504 1.00 0.60 H new ATOM 857 N ASP A 58 -5.222 -17.496 -11.207 1.00 0.68 N ATOM 858 CA ASP A 58 -6.387 -18.331 -11.483 1.00 0.75 C ATOM 859 C ASP A 58 -6.807 -18.183 -12.954 1.00 0.75 C ATOM 860 O ASP A 58 -7.456 -19.065 -13.524 1.00 0.83 O ATOM 861 CB ASP A 58 -7.505 -17.942 -10.500 1.00 0.77 C ATOM 862 CG ASP A 58 -8.856 -18.576 -10.802 1.00 0.90 C ATOM 863 OD1 ASP A 58 -9.781 -17.839 -11.203 1.00 1.36 O ATOM 864 OD2 ASP A 58 -8.985 -19.807 -10.636 1.00 1.62 O ATOM 0 H ASP A 58 -5.399 -16.498 -11.322 1.00 0.68 H new ATOM 0 HA ASP A 58 -6.156 -19.386 -11.335 1.00 0.75 H new ATOM 0 HB2 ASP A 58 -7.201 -18.226 -9.492 1.00 0.77 H new ATOM 0 HB3 ASP A 58 -7.617 -16.858 -10.506 1.00 0.77 H new ATOM 869 N GLY A 59 -6.419 -17.045 -13.538 1.00 0.68 N ATOM 870 CA GLY A 59 -6.659 -16.735 -14.940 1.00 0.68 C ATOM 871 C GLY A 59 -8.090 -16.497 -15.328 1.00 0.72 C ATOM 872 O GLY A 59 -8.406 -16.435 -16.520 1.00 0.75 O ATOM 0 H GLY A 59 -5.923 -16.307 -13.038 1.00 0.68 H new ATOM 0 HA2 GLY A 59 -6.081 -15.848 -15.199 1.00 0.68 H new ATOM 0 HA3 GLY A 59 -6.272 -17.555 -15.544 1.00 0.68 H new ATOM 876 N ASN A 60 -8.954 -16.368 -14.335 1.00 0.73 N ATOM 877 CA ASN A 60 -10.329 -16.034 -14.581 1.00 0.78 C ATOM 878 C ASN A 60 -10.457 -14.540 -14.351 1.00 0.72 C ATOM 879 O ASN A 60 -11.550 -13.988 -14.172 1.00 0.77 O ATOM 880 CB ASN A 60 -11.277 -16.842 -13.683 1.00 0.86 C ATOM 881 CG ASN A 60 -11.371 -18.298 -14.100 1.00 1.28 C ATOM 882 OD1 ASN A 60 -12.225 -18.671 -14.905 1.00 1.86 O ATOM 883 ND2 ASN A 60 -10.492 -19.129 -13.553 1.00 2.03 N ATOM 0 H ASN A 60 -8.717 -16.492 -13.351 1.00 0.73 H new ATOM 0 HA ASN A 60 -10.616 -16.288 -15.601 1.00 0.78 H new ATOM 0 HB2 ASN A 60 -10.932 -16.784 -12.651 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -12.270 -16.394 -13.712 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -10.507 -20.120 -13.796 1.00 2.03 H new ATOM 0 HD22 ASN A 60 -9.801 -18.777 -12.890 1.00 2.03 H new ATOM 890 N GLY A 61 -9.274 -13.903 -14.391 1.00 0.64 N ATOM 891 CA GLY A 61 -9.161 -12.484 -14.156 1.00 0.59 C ATOM 892 C GLY A 61 -9.045 -12.208 -12.679 1.00 0.56 C ATOM 893 O GLY A 61 -9.445 -11.156 -12.176 1.00 0.56 O ATOM 0 H GLY A 61 -8.387 -14.367 -14.587 1.00 0.64 H new ATOM 0 HA2 GLY A 61 -8.288 -12.090 -14.676 1.00 0.59 H new ATOM 0 HA3 GLY A 61 -10.033 -11.970 -14.562 1.00 0.59 H new ATOM 897 N THR A 62 -8.512 -13.208 -12.000 1.00 0.56 N ATOM 898 CA THR A 62 -8.342 -13.187 -10.565 1.00 0.54 C ATOM 899 C THR A 62 -6.925 -13.506 -10.145 1.00 0.50 C ATOM 900 O THR A 62 -6.284 -14.405 -10.700 1.00 0.51 O ATOM 901 CB THR A 62 -9.255 -14.189 -9.860 1.00 0.59 C ATOM 902 OG1 THR A 62 -9.727 -15.188 -10.776 1.00 0.65 O ATOM 903 CG2 THR A 62 -10.430 -13.485 -9.204 1.00 0.62 C ATOM 0 H THR A 62 -8.182 -14.067 -12.439 1.00 0.56 H new ATOM 0 HA THR A 62 -8.598 -12.169 -10.272 1.00 0.54 H new ATOM 0 HB THR A 62 -8.668 -14.681 -9.084 1.00 0.59 H new ATOM 0 HG1 THR A 62 -9.608 -16.077 -10.381 1.00 0.65 H new ATOM 0 HG21 THR A 62 -11.065 -14.220 -8.709 1.00 0.62 H new ATOM 0 HG22 THR A 62 -10.061 -12.770 -8.468 1.00 0.62 H new ATOM 0 HG23 THR A 62 -11.009 -12.959 -9.963 1.00 0.62 H new ATOM 911 N ILE A 63 -6.452 -12.755 -9.159 1.00 0.47 N ATOM 912 CA ILE A 63 -5.134 -12.937 -8.613 1.00 0.45 C ATOM 913 C ILE A 63 -5.236 -13.185 -7.103 1.00 0.46 C ATOM 914 O ILE A 63 -6.048 -12.573 -6.403 1.00 0.48 O ATOM 915 CB ILE A 63 -4.221 -11.743 -8.962 1.00 0.41 C ATOM 916 CG1 ILE A 63 -2.841 -12.214 -9.412 1.00 0.40 C ATOM 917 CG2 ILE A 63 -4.097 -10.788 -7.805 1.00 0.43 C ATOM 918 CD1 ILE A 63 -2.002 -11.104 -10.005 1.00 0.42 C ATOM 0 H ILE A 63 -6.982 -12.002 -8.721 1.00 0.47 H new ATOM 0 HA ILE A 63 -4.669 -13.814 -9.063 1.00 0.45 H new ATOM 0 HB ILE A 63 -4.689 -11.212 -9.791 1.00 0.41 H new ATOM 0 HG12 ILE A 63 -2.314 -12.644 -8.560 1.00 0.40 H new ATOM 0 HG13 ILE A 63 -2.957 -13.008 -10.150 1.00 0.40 H new ATOM 0 HG21 ILE A 63 -3.447 -9.959 -8.085 1.00 0.43 H new ATOM 0 HG22 ILE A 63 -5.083 -10.404 -7.543 1.00 0.43 H new ATOM 0 HG23 ILE A 63 -3.671 -11.309 -6.947 1.00 0.43 H new ATOM 0 HD11 ILE A 63 -1.033 -11.502 -10.306 1.00 0.42 H new ATOM 0 HD12 ILE A 63 -2.510 -10.689 -10.876 1.00 0.42 H new ATOM 0 HD13 ILE A 63 -1.858 -10.320 -9.262 1.00 0.42 H new ATOM 930 N ASP A 64 -4.414 -14.102 -6.649 1.00 0.48 N ATOM 931 CA ASP A 64 -4.370 -14.542 -5.254 1.00 0.51 C ATOM 932 C ASP A 64 -3.332 -13.762 -4.433 1.00 0.54 C ATOM 933 O ASP A 64 -2.627 -12.903 -4.968 1.00 0.54 O ATOM 934 CB ASP A 64 -4.064 -16.039 -5.227 1.00 0.57 C ATOM 935 CG ASP A 64 -5.287 -16.887 -5.519 1.00 0.65 C ATOM 936 OD1 ASP A 64 -5.999 -17.253 -4.561 1.00 1.25 O ATOM 937 OD2 ASP A 64 -5.533 -17.184 -6.707 1.00 1.33 O ATOM 0 H ASP A 64 -3.738 -14.580 -7.244 1.00 0.48 H new ATOM 0 HA ASP A 64 -5.339 -14.346 -4.795 1.00 0.51 H new ATOM 0 HB2 ASP A 64 -3.288 -16.261 -5.960 1.00 0.57 H new ATOM 0 HB3 ASP A 64 -3.665 -16.307 -4.249 1.00 0.57 H new ATOM 942 N PHE A 65 -3.233 -14.097 -3.128 1.00 0.62 N ATOM 943 CA PHE A 65 -2.305 -13.435 -2.190 1.00 0.73 C ATOM 944 C PHE A 65 -0.801 -13.610 -2.536 1.00 0.78 C ATOM 945 O PHE A 65 -0.041 -12.660 -2.332 1.00 0.86 O ATOM 946 CB PHE A 65 -2.585 -13.863 -0.729 1.00 0.82 C ATOM 947 CG PHE A 65 -2.641 -15.353 -0.484 1.00 0.82 C ATOM 948 CD1 PHE A 65 -1.542 -16.023 0.032 1.00 1.39 C ATOM 949 CD2 PHE A 65 -3.790 -16.076 -0.766 1.00 1.51 C ATOM 950 CE1 PHE A 65 -1.589 -17.386 0.260 1.00 1.43 C ATOM 951 CE2 PHE A 65 -3.842 -17.438 -0.539 1.00 1.52 C ATOM 952 CZ PHE A 65 -2.740 -18.094 -0.026 1.00 0.90 C ATOM 0 H PHE A 65 -3.794 -14.833 -2.698 1.00 0.62 H new ATOM 0 HA PHE A 65 -2.507 -12.369 -2.299 1.00 0.73 H new ATOM 0 HB2 PHE A 65 -1.812 -13.437 -0.090 1.00 0.82 H new ATOM 0 HB3 PHE A 65 -3.533 -13.426 -0.417 1.00 0.82 H new ATOM 0 HD1 PHE A 65 -0.640 -15.474 0.258 1.00 1.39 H new ATOM 0 HD2 PHE A 65 -4.655 -15.569 -1.168 1.00 1.51 H new ATOM 0 HE1 PHE A 65 -0.726 -17.897 0.661 1.00 1.43 H new ATOM 0 HE2 PHE A 65 -4.743 -17.989 -0.762 1.00 1.52 H new ATOM 0 HZ PHE A 65 -2.778 -19.159 0.151 1.00 0.90 H new ATOM 962 N PRO A 66 -0.323 -14.790 -3.057 1.00 0.79 N ATOM 963 CA PRO A 66 1.103 -14.976 -3.388 1.00 0.89 C ATOM 964 C PRO A 66 1.516 -14.354 -4.732 1.00 0.79 C ATOM 965 O PRO A 66 2.704 -14.130 -4.968 1.00 0.82 O ATOM 966 CB PRO A 66 1.269 -16.508 -3.450 1.00 0.98 C ATOM 967 CG PRO A 66 -0.053 -17.091 -3.062 1.00 0.91 C ATOM 968 CD PRO A 66 -1.073 -16.030 -3.346 1.00 0.75 C ATOM 0 HA PRO A 66 1.734 -14.481 -2.650 1.00 0.89 H new ATOM 0 HB2 PRO A 66 1.556 -16.828 -4.452 1.00 0.98 H new ATOM 0 HB3 PRO A 66 2.055 -16.841 -2.772 1.00 0.98 H new ATOM 0 HG2 PRO A 66 -0.263 -17.996 -3.632 1.00 0.91 H new ATOM 0 HG3 PRO A 66 -0.062 -17.369 -2.008 1.00 0.91 H new ATOM 0 HD2 PRO A 66 -1.420 -16.065 -4.379 1.00 0.75 H new ATOM 0 HD3 PRO A 66 -1.953 -16.131 -2.711 1.00 0.75 H new ATOM 976 N GLU A 67 0.532 -14.097 -5.607 1.00 0.69 N ATOM 977 CA GLU A 67 0.787 -13.532 -6.928 1.00 0.63 C ATOM 978 C GLU A 67 0.779 -12.000 -6.977 1.00 0.62 C ATOM 979 O GLU A 67 1.726 -11.418 -7.516 1.00 0.66 O ATOM 980 CB GLU A 67 -0.192 -14.104 -7.941 1.00 0.61 C ATOM 981 CG GLU A 67 0.185 -15.487 -8.462 1.00 0.70 C ATOM 982 CD GLU A 67 1.254 -15.445 -9.541 1.00 1.12 C ATOM 983 OE1 GLU A 67 0.891 -15.356 -10.733 1.00 1.71 O ATOM 984 OE2 GLU A 67 2.452 -15.501 -9.192 1.00 1.94 O ATOM 0 H GLU A 67 -0.454 -14.276 -5.415 1.00 0.69 H new ATOM 0 HA GLU A 67 1.806 -13.824 -7.184 1.00 0.63 H new ATOM 0 HB2 GLU A 67 -1.180 -14.157 -7.485 1.00 0.61 H new ATOM 0 HB3 GLU A 67 -0.267 -13.418 -8.785 1.00 0.61 H new ATOM 0 HG2 GLU A 67 0.539 -16.098 -7.631 1.00 0.70 H new ATOM 0 HG3 GLU A 67 -0.705 -15.974 -8.859 1.00 0.70 H new ATOM 991 N PHE A 68 -0.276 -11.332 -6.438 1.00 0.63 N ATOM 992 CA PHE A 68 -0.354 -9.856 -6.486 1.00 0.72 C ATOM 993 C PHE A 68 0.896 -9.145 -5.945 1.00 0.79 C ATOM 994 O PHE A 68 1.272 -8.081 -6.446 1.00 0.87 O ATOM 995 CB PHE A 68 -1.633 -9.287 -5.816 1.00 0.88 C ATOM 996 CG PHE A 68 -1.889 -9.602 -4.351 1.00 0.91 C ATOM 997 CD1 PHE A 68 -0.991 -9.250 -3.349 1.00 1.54 C ATOM 998 CD2 PHE A 68 -3.081 -10.202 -3.982 1.00 1.84 C ATOM 999 CE1 PHE A 68 -1.279 -9.498 -2.021 1.00 2.15 C ATOM 1000 CE2 PHE A 68 -3.370 -10.457 -2.657 1.00 2.44 C ATOM 1001 CZ PHE A 68 -2.469 -10.103 -1.675 1.00 2.37 C ATOM 0 H PHE A 68 -1.065 -11.784 -5.976 1.00 0.63 H new ATOM 0 HA PHE A 68 -0.409 -9.636 -7.552 1.00 0.72 H new ATOM 0 HB2 PHE A 68 -1.607 -8.202 -5.922 1.00 0.88 H new ATOM 0 HB3 PHE A 68 -2.491 -9.643 -6.386 1.00 0.88 H new ATOM 0 HD1 PHE A 68 -0.057 -8.777 -3.613 1.00 1.54 H new ATOM 0 HD2 PHE A 68 -3.796 -10.475 -4.744 1.00 1.84 H new ATOM 0 HE1 PHE A 68 -0.572 -9.218 -1.254 1.00 2.15 H new ATOM 0 HE2 PHE A 68 -4.301 -10.934 -2.389 1.00 2.44 H new ATOM 0 HZ PHE A 68 -2.695 -10.299 -0.637 1.00 2.37 H new ATOM 1011 N LEU A 69 1.534 -9.750 -4.945 1.00 0.81 N ATOM 1012 CA LEU A 69 2.727 -9.171 -4.317 1.00 0.89 C ATOM 1013 C LEU A 69 4.033 -9.538 -4.999 1.00 0.84 C ATOM 1014 O LEU A 69 5.057 -8.926 -4.711 1.00 0.89 O ATOM 1015 CB LEU A 69 2.844 -9.548 -2.850 1.00 0.99 C ATOM 1016 CG LEU A 69 2.493 -10.997 -2.530 1.00 0.97 C ATOM 1017 CD1 LEU A 69 3.553 -11.949 -3.062 1.00 0.92 C ATOM 1018 CD2 LEU A 69 2.337 -11.188 -1.044 1.00 1.14 C ATOM 0 H LEU A 69 1.246 -10.645 -4.549 1.00 0.81 H new ATOM 0 HA LEU A 69 2.576 -8.097 -4.424 1.00 0.89 H new ATOM 0 HB2 LEU A 69 3.865 -9.355 -2.521 1.00 0.99 H new ATOM 0 HB3 LEU A 69 2.193 -8.895 -2.269 1.00 0.99 H new ATOM 0 HG LEU A 69 1.546 -11.224 -3.021 1.00 0.97 H new ATOM 0 HD11 LEU A 69 3.276 -12.975 -2.819 1.00 0.92 H new ATOM 0 HD12 LEU A 69 3.630 -11.840 -4.144 1.00 0.92 H new ATOM 0 HD13 LEU A 69 4.515 -11.715 -2.605 1.00 0.92 H new ATOM 0 HD21 LEU A 69 2.087 -12.228 -0.835 1.00 1.14 H new ATOM 0 HD22 LEU A 69 3.271 -10.932 -0.544 1.00 1.14 H new ATOM 0 HD23 LEU A 69 1.540 -10.542 -0.676 1.00 1.14 H new ATOM 1030 N THR A 70 4.009 -10.570 -5.851 1.00 0.78 N ATOM 1031 CA THR A 70 5.212 -11.052 -6.562 1.00 0.78 C ATOM 1032 C THR A 70 6.029 -9.897 -7.167 1.00 0.80 C ATOM 1033 O THR A 70 7.206 -10.068 -7.487 1.00 0.79 O ATOM 1034 CB THR A 70 4.824 -12.127 -7.624 1.00 0.80 C ATOM 1035 OG1 THR A 70 4.129 -13.197 -6.977 1.00 0.79 O ATOM 1036 CG2 THR A 70 6.038 -12.706 -8.354 1.00 0.88 C ATOM 0 H THR A 70 3.163 -11.096 -6.070 1.00 0.78 H new ATOM 0 HA THR A 70 5.866 -11.529 -5.832 1.00 0.78 H new ATOM 0 HB THR A 70 4.196 -11.633 -8.365 1.00 0.80 H new ATOM 0 HG1 THR A 70 3.902 -12.933 -6.061 1.00 0.79 H new ATOM 0 HG21 THR A 70 5.706 -13.448 -9.080 1.00 0.88 H new ATOM 0 HG22 THR A 70 6.568 -11.905 -8.870 1.00 0.88 H new ATOM 0 HG23 THR A 70 6.706 -13.177 -7.633 1.00 0.88 H new ATOM 1044 N MET A 71 5.385 -8.737 -7.310 1.00 0.87 N ATOM 1045 CA MET A 71 6.039 -7.541 -7.799 1.00 0.96 C ATOM 1046 C MET A 71 6.693 -6.756 -6.664 1.00 0.97 C ATOM 1047 O MET A 71 7.729 -6.132 -6.888 1.00 1.00 O ATOM 1048 CB MET A 71 5.077 -6.664 -8.600 1.00 1.10 C ATOM 1049 CG MET A 71 4.734 -7.240 -9.964 1.00 1.15 C ATOM 1050 SD MET A 71 6.136 -7.226 -11.097 1.00 1.66 S ATOM 1051 CE MET A 71 5.395 -7.943 -12.561 1.00 1.68 C ATOM 0 H MET A 71 4.398 -8.609 -7.088 1.00 0.87 H new ATOM 0 HA MET A 71 6.832 -7.859 -8.476 1.00 0.96 H new ATOM 0 HB2 MET A 71 4.159 -6.528 -8.029 1.00 1.10 H new ATOM 0 HB3 MET A 71 5.520 -5.677 -8.731 1.00 1.10 H new ATOM 0 HG2 MET A 71 4.380 -8.264 -9.843 1.00 1.15 H new ATOM 0 HG3 MET A 71 3.914 -6.669 -10.400 1.00 1.15 H new ATOM 0 HE1 MET A 71 6.140 -8.001 -13.355 1.00 1.68 H new ATOM 0 HE2 MET A 71 5.030 -8.944 -12.331 1.00 1.68 H new ATOM 0 HE3 MET A 71 4.563 -7.320 -12.890 1.00 1.68 H new ATOM 1061 N MET A 72 6.101 -6.777 -5.446 1.00 0.99 N ATOM 1062 CA MET A 72 6.726 -6.102 -4.301 1.00 1.06 C ATOM 1063 C MET A 72 7.720 -7.076 -3.689 1.00 0.94 C ATOM 1064 O MET A 72 8.705 -6.679 -3.060 1.00 0.95 O ATOM 1065 CB MET A 72 5.701 -5.590 -3.265 1.00 1.23 C ATOM 1066 CG MET A 72 4.788 -6.655 -2.661 1.00 1.37 C ATOM 1067 SD MET A 72 4.067 -6.140 -1.091 1.00 2.19 S ATOM 1068 CE MET A 72 5.412 -6.488 0.043 1.00 3.08 C ATOM 0 H MET A 72 5.217 -7.242 -5.241 1.00 0.99 H new ATOM 0 HA MET A 72 7.236 -5.202 -4.645 1.00 1.06 H new ATOM 0 HB2 MET A 72 6.242 -5.099 -2.456 1.00 1.23 H new ATOM 0 HB3 MET A 72 5.080 -4.830 -3.739 1.00 1.23 H new ATOM 0 HG2 MET A 72 3.989 -6.885 -3.366 1.00 1.37 H new ATOM 0 HG3 MET A 72 5.356 -7.573 -2.512 1.00 1.37 H new ATOM 0 HE1 MET A 72 5.112 -6.220 1.056 1.00 3.08 H new ATOM 0 HE2 MET A 72 5.654 -7.550 0.005 1.00 3.08 H new ATOM 0 HE3 MET A 72 6.288 -5.906 -0.242 1.00 3.08 H new ATOM 1078 N ALA A 73 7.421 -8.368 -3.899 1.00 0.86 N ATOM 1079 CA ALA A 73 8.296 -9.454 -3.506 1.00 0.79 C ATOM 1080 C ALA A 73 9.446 -9.499 -4.506 1.00 0.71 C ATOM 1081 O ALA A 73 10.488 -10.105 -4.242 1.00 0.68 O ATOM 1082 CB ALA A 73 7.549 -10.779 -3.473 1.00 0.80 C ATOM 0 H ALA A 73 6.559 -8.677 -4.349 1.00 0.86 H new ATOM 0 HA ALA A 73 8.675 -9.286 -2.498 1.00 0.79 H new ATOM 0 HB1 ALA A 73 8.232 -11.574 -3.175 1.00 0.80 H new ATOM 0 HB2 ALA A 73 6.730 -10.717 -2.757 1.00 0.80 H new ATOM 0 HB3 ALA A 73 7.150 -10.996 -4.464 1.00 0.80 H new ATOM 1088 N ARG A 74 9.229 -8.845 -5.684 1.00 0.72 N ATOM 1089 CA ARG A 74 10.218 -8.725 -6.695 1.00 0.71 C ATOM 1090 C ARG A 74 11.219 -7.658 -6.301 1.00 0.73 C ATOM 1091 O ARG A 74 12.422 -7.833 -6.479 1.00 0.68 O ATOM 1092 CB ARG A 74 9.525 -8.336 -7.995 1.00 0.83 C ATOM 1093 CG ARG A 74 10.481 -7.969 -9.088 1.00 0.91 C ATOM 1094 CD ARG A 74 9.801 -7.897 -10.444 1.00 1.12 C ATOM 1095 NE ARG A 74 10.709 -7.417 -11.491 1.00 1.47 N ATOM 1096 CZ ARG A 74 10.363 -7.225 -12.772 1.00 1.90 C ATOM 1097 NH1 ARG A 74 9.123 -7.468 -13.195 1.00 2.18 N ATOM 1098 NH2 ARG A 74 11.268 -6.786 -13.636 1.00 2.55 N ATOM 0 H ARG A 74 8.343 -8.398 -5.920 1.00 0.72 H new ATOM 0 HA ARG A 74 10.748 -9.669 -6.824 1.00 0.71 H new ATOM 0 HB2 ARG A 74 8.903 -9.166 -8.329 1.00 0.83 H new ATOM 0 HB3 ARG A 74 8.859 -7.494 -7.806 1.00 0.83 H new ATOM 0 HG2 ARG A 74 10.938 -7.006 -8.861 1.00 0.91 H new ATOM 0 HG3 ARG A 74 11.286 -8.703 -9.126 1.00 0.91 H new ATOM 0 HD2 ARG A 74 9.426 -8.884 -10.714 1.00 1.12 H new ATOM 0 HD3 ARG A 74 8.938 -7.235 -10.382 1.00 1.12 H new ATOM 0 HE ARG A 74 11.673 -7.215 -11.226 1.00 1.47 H new ATOM 0 HH11 ARG A 74 8.418 -7.806 -12.540 1.00 2.18 H new ATOM 0 HH12 ARG A 74 8.879 -7.316 -14.174 1.00 2.18 H new ATOM 0 HH21 ARG A 74 12.221 -6.597 -13.325 1.00 2.55 H new ATOM 0 HH22 ARG A 74 11.012 -6.638 -14.612 1.00 2.55 H new ATOM 1112 N LYS A 75 10.695 -6.530 -5.803 1.00 0.86 N ATOM 1113 CA LYS A 75 11.520 -5.437 -5.328 1.00 0.95 C ATOM 1114 C LYS A 75 12.452 -5.932 -4.216 1.00 0.90 C ATOM 1115 O LYS A 75 13.400 -5.253 -3.817 1.00 0.96 O ATOM 1116 CB LYS A 75 10.628 -4.285 -4.888 1.00 1.19 C ATOM 1117 CG LYS A 75 9.498 -4.032 -5.892 1.00 1.28 C ATOM 1118 CD LYS A 75 9.970 -3.490 -7.242 1.00 1.40 C ATOM 1119 CE LYS A 75 10.510 -2.065 -7.168 1.00 2.25 C ATOM 1120 NZ LYS A 75 10.692 -1.468 -8.520 1.00 2.99 N ATOM 0 H LYS A 75 9.692 -6.360 -5.723 1.00 0.86 H new ATOM 0 HA LYS A 75 12.158 -5.064 -6.129 1.00 0.95 H new ATOM 0 HB2 LYS A 75 10.203 -4.506 -3.909 1.00 1.19 H new ATOM 0 HB3 LYS A 75 11.227 -3.381 -4.778 1.00 1.19 H new ATOM 0 HG2 LYS A 75 8.957 -4.964 -6.056 1.00 1.28 H new ATOM 0 HG3 LYS A 75 8.791 -3.326 -5.456 1.00 1.28 H new ATOM 0 HD2 LYS A 75 10.747 -4.145 -7.636 1.00 1.40 H new ATOM 0 HD3 LYS A 75 9.140 -3.520 -7.947 1.00 1.40 H new ATOM 0 HE2 LYS A 75 9.825 -1.447 -6.588 1.00 2.25 H new ATOM 0 HE3 LYS A 75 11.464 -2.065 -6.640 1.00 2.25 H new ATOM 0 HZ1 LYS A 75 11.300 -0.628 -8.449 1.00 2.99 H new ATOM 0 HZ2 LYS A 75 11.137 -2.165 -9.150 1.00 2.99 H new ATOM 0 HZ3 LYS A 75 9.766 -1.194 -8.906 1.00 2.99 H new ATOM 1134 N MET A 76 12.114 -7.134 -3.711 1.00 0.85 N ATOM 1135 CA MET A 76 12.892 -7.842 -2.713 1.00 0.93 C ATOM 1136 C MET A 76 14.035 -8.578 -3.414 1.00 0.83 C ATOM 1137 O MET A 76 15.160 -8.612 -2.905 1.00 0.93 O ATOM 1138 CB MET A 76 12.034 -8.852 -1.939 1.00 1.07 C ATOM 1139 CG MET A 76 10.729 -8.281 -1.420 1.00 0.96 C ATOM 1140 SD MET A 76 9.734 -9.497 -0.534 1.00 1.64 S ATOM 1141 CE MET A 76 8.415 -8.462 0.095 1.00 2.37 C ATOM 0 H MET A 76 11.275 -7.637 -4.000 1.00 0.85 H new ATOM 0 HA MET A 76 13.280 -7.117 -1.998 1.00 0.93 H new ATOM 0 HB2 MET A 76 11.815 -9.700 -2.588 1.00 1.07 H new ATOM 0 HB3 MET A 76 12.612 -9.235 -1.098 1.00 1.07 H new ATOM 0 HG2 MET A 76 10.943 -7.442 -0.758 1.00 0.96 H new ATOM 0 HG3 MET A 76 10.152 -7.887 -2.257 1.00 0.96 H new ATOM 0 HE1 MET A 76 7.688 -9.080 0.622 1.00 2.37 H new ATOM 0 HE2 MET A 76 8.828 -7.723 0.781 1.00 2.37 H new ATOM 0 HE3 MET A 76 7.925 -7.953 -0.735 1.00 2.37 H new ATOM 1151 N LYS A 77 13.731 -9.173 -4.597 1.00 0.72 N ATOM 1152 CA LYS A 77 14.741 -9.884 -5.380 1.00 0.79 C ATOM 1153 C LYS A 77 15.558 -8.929 -6.281 1.00 0.78 C ATOM 1154 O LYS A 77 16.602 -9.312 -6.816 1.00 0.91 O ATOM 1155 CB LYS A 77 14.100 -11.039 -6.172 1.00 0.86 C ATOM 1156 CG LYS A 77 13.172 -10.654 -7.321 1.00 0.76 C ATOM 1157 CD LYS A 77 11.852 -11.419 -7.231 1.00 0.89 C ATOM 1158 CE LYS A 77 12.006 -12.914 -7.525 1.00 0.96 C ATOM 1159 NZ LYS A 77 10.705 -13.634 -7.434 1.00 1.75 N ATOM 0 H LYS A 77 12.801 -9.168 -5.015 1.00 0.72 H new ATOM 0 HA LYS A 77 15.457 -10.322 -4.685 1.00 0.79 H new ATOM 0 HB2 LYS A 77 14.900 -11.660 -6.575 1.00 0.86 H new ATOM 0 HB3 LYS A 77 13.537 -11.658 -5.474 1.00 0.86 H new ATOM 0 HG2 LYS A 77 12.979 -9.582 -7.295 1.00 0.76 H new ATOM 0 HG3 LYS A 77 13.657 -10.867 -8.274 1.00 0.76 H new ATOM 0 HD2 LYS A 77 11.432 -11.292 -6.233 1.00 0.89 H new ATOM 0 HD3 LYS A 77 11.140 -10.987 -7.934 1.00 0.89 H new ATOM 0 HE2 LYS A 77 12.426 -13.047 -8.522 1.00 0.96 H new ATOM 0 HE3 LYS A 77 12.713 -13.352 -6.821 1.00 0.96 H new ATOM 0 HZ1 LYS A 77 10.851 -14.643 -7.640 1.00 1.75 H new ATOM 0 HZ2 LYS A 77 10.316 -13.529 -6.475 1.00 1.75 H new ATOM 0 HZ3 LYS A 77 10.038 -13.233 -8.124 1.00 1.75 H new ATOM 1173 N ASP A 78 15.061 -7.691 -6.431 1.00 0.74 N ATOM 1174 CA ASP A 78 15.723 -6.649 -7.229 1.00 0.79 C ATOM 1175 C ASP A 78 15.998 -5.417 -6.363 1.00 0.77 C ATOM 1176 O ASP A 78 15.127 -4.988 -5.607 1.00 0.80 O ATOM 1177 CB ASP A 78 14.854 -6.257 -8.429 1.00 0.84 C ATOM 1178 CG ASP A 78 14.758 -7.360 -9.468 1.00 1.19 C ATOM 1179 OD1 ASP A 78 15.603 -7.385 -10.387 1.00 1.66 O ATOM 1180 OD2 ASP A 78 13.838 -8.197 -9.361 1.00 1.92 O ATOM 0 H ASP A 78 14.188 -7.385 -6.002 1.00 0.74 H new ATOM 0 HA ASP A 78 16.669 -7.046 -7.597 1.00 0.79 H new ATOM 0 HB2 ASP A 78 13.853 -6.004 -8.080 1.00 0.84 H new ATOM 0 HB3 ASP A 78 15.266 -5.361 -8.893 1.00 0.84 H new ATOM 1185 N THR A 79 17.207 -4.845 -6.487 1.00 0.79 N ATOM 1186 CA THR A 79 17.607 -3.677 -5.697 1.00 0.82 C ATOM 1187 C THR A 79 17.192 -2.357 -6.338 1.00 0.73 C ATOM 1188 O THR A 79 17.814 -1.307 -6.126 1.00 0.78 O ATOM 1189 CB THR A 79 19.120 -3.664 -5.386 1.00 0.99 C ATOM 1190 OG1 THR A 79 19.873 -3.817 -6.595 1.00 1.03 O ATOM 1191 CG2 THR A 79 19.494 -4.767 -4.403 1.00 1.15 C ATOM 0 H THR A 79 17.925 -5.177 -7.131 1.00 0.79 H new ATOM 0 HA THR A 79 17.067 -3.773 -4.755 1.00 0.82 H new ATOM 0 HB THR A 79 19.358 -2.704 -4.928 1.00 0.99 H new ATOM 0 HG1 THR A 79 20.831 -3.806 -6.388 1.00 1.03 H new ATOM 0 HG21 THR A 79 20.565 -4.730 -4.205 1.00 1.15 H new ATOM 0 HG22 THR A 79 18.948 -4.624 -3.471 1.00 1.15 H new ATOM 0 HG23 THR A 79 19.237 -5.737 -4.829 1.00 1.15 H new ATOM 1199 N ASP A 80 16.116 -2.431 -7.103 1.00 0.66 N ATOM 1200 CA ASP A 80 15.529 -1.271 -7.767 1.00 0.67 C ATOM 1201 C ASP A 80 14.598 -0.513 -6.799 1.00 0.66 C ATOM 1202 O ASP A 80 13.889 0.419 -7.192 1.00 0.74 O ATOM 1203 CB ASP A 80 14.759 -1.708 -9.021 1.00 0.77 C ATOM 1204 CG ASP A 80 15.676 -2.176 -10.137 1.00 1.18 C ATOM 1205 OD1 ASP A 80 16.093 -1.330 -10.956 1.00 1.72 O ATOM 1206 OD2 ASP A 80 15.977 -3.387 -10.189 1.00 1.86 O ATOM 0 H ASP A 80 15.619 -3.303 -7.284 1.00 0.66 H new ATOM 0 HA ASP A 80 16.332 -0.600 -8.070 1.00 0.67 H new ATOM 0 HB2 ASP A 80 14.072 -2.513 -8.759 1.00 0.77 H new ATOM 0 HB3 ASP A 80 14.153 -0.876 -9.379 1.00 0.77 H new ATOM 1211 N SER A 81 14.648 -0.926 -5.520 1.00 0.67 N ATOM 1212 CA SER A 81 13.820 -0.366 -4.438 1.00 0.75 C ATOM 1213 C SER A 81 14.150 1.098 -4.074 1.00 0.68 C ATOM 1214 O SER A 81 13.349 1.752 -3.398 1.00 0.76 O ATOM 1215 CB SER A 81 13.972 -1.253 -3.196 1.00 0.92 C ATOM 1216 OG SER A 81 13.136 -0.819 -2.134 1.00 1.07 O ATOM 0 H SER A 81 15.273 -1.668 -5.205 1.00 0.67 H new ATOM 0 HA SER A 81 12.793 -0.354 -4.803 1.00 0.75 H new ATOM 0 HB2 SER A 81 13.728 -2.284 -3.453 1.00 0.92 H new ATOM 0 HB3 SER A 81 15.011 -1.244 -2.868 1.00 0.92 H new ATOM 0 HG SER A 81 12.920 0.129 -2.254 1.00 1.07 H new ATOM 1222 N GLU A 82 15.310 1.608 -4.514 1.00 0.62 N ATOM 1223 CA GLU A 82 15.727 2.982 -4.185 1.00 0.63 C ATOM 1224 C GLU A 82 15.137 4.039 -5.138 1.00 0.57 C ATOM 1225 O GLU A 82 14.686 5.094 -4.683 1.00 0.58 O ATOM 1226 CB GLU A 82 17.260 3.080 -4.177 1.00 0.72 C ATOM 1227 CG GLU A 82 17.804 4.241 -3.349 1.00 0.78 C ATOM 1228 CD GLU A 82 19.317 4.327 -3.386 1.00 1.34 C ATOM 1229 OE1 GLU A 82 19.968 3.712 -2.515 1.00 1.65 O ATOM 1230 OE2 GLU A 82 19.851 5.009 -4.286 1.00 2.12 O ATOM 0 H GLU A 82 15.973 1.095 -5.095 1.00 0.62 H new ATOM 0 HA GLU A 82 15.333 3.199 -3.192 1.00 0.63 H new ATOM 0 HB2 GLU A 82 17.671 2.148 -3.790 1.00 0.72 H new ATOM 0 HB3 GLU A 82 17.613 3.183 -5.203 1.00 0.72 H new ATOM 0 HG2 GLU A 82 17.382 5.175 -3.719 1.00 0.78 H new ATOM 0 HG3 GLU A 82 17.476 4.130 -2.316 1.00 0.78 H new ATOM 1237 N GLU A 83 15.141 3.751 -6.445 1.00 0.55 N ATOM 1238 CA GLU A 83 14.634 4.697 -7.459 1.00 0.58 C ATOM 1239 C GLU A 83 13.103 4.703 -7.568 1.00 0.59 C ATOM 1240 O GLU A 83 12.526 5.639 -8.129 1.00 0.65 O ATOM 1241 CB GLU A 83 15.242 4.378 -8.829 1.00 0.64 C ATOM 1242 CG GLU A 83 16.708 4.768 -8.957 1.00 0.71 C ATOM 1243 CD GLU A 83 17.282 4.438 -10.321 1.00 0.94 C ATOM 1244 OE1 GLU A 83 17.800 3.314 -10.491 1.00 1.76 O ATOM 1245 OE2 GLU A 83 17.213 5.303 -11.220 1.00 1.27 O ATOM 0 H GLU A 83 15.488 2.873 -6.830 1.00 0.55 H new ATOM 0 HA GLU A 83 14.937 5.692 -7.131 1.00 0.58 H new ATOM 0 HB2 GLU A 83 15.142 3.310 -9.021 1.00 0.64 H new ATOM 0 HB3 GLU A 83 14.670 4.895 -9.599 1.00 0.64 H new ATOM 0 HG2 GLU A 83 16.813 5.837 -8.771 1.00 0.71 H new ATOM 0 HG3 GLU A 83 17.286 4.253 -8.189 1.00 0.71 H new ATOM 1252 N GLU A 84 12.457 3.662 -7.033 1.00 0.60 N ATOM 1253 CA GLU A 84 10.992 3.533 -7.086 1.00 0.68 C ATOM 1254 C GLU A 84 10.276 4.239 -5.927 1.00 0.63 C ATOM 1255 O GLU A 84 9.242 4.870 -6.134 1.00 0.69 O ATOM 1256 CB GLU A 84 10.580 2.050 -7.131 1.00 0.80 C ATOM 1257 CG GLU A 84 11.191 1.167 -6.040 1.00 1.14 C ATOM 1258 CD GLU A 84 10.310 1.057 -4.809 1.00 1.74 C ATOM 1259 OE1 GLU A 84 9.213 0.469 -4.914 1.00 2.23 O ATOM 1260 OE2 GLU A 84 10.721 1.552 -3.739 1.00 2.31 O ATOM 0 H GLU A 84 12.926 2.892 -6.556 1.00 0.60 H new ATOM 0 HA GLU A 84 10.678 4.032 -8.002 1.00 0.68 H new ATOM 0 HB2 GLU A 84 9.494 1.989 -7.058 1.00 0.80 H new ATOM 0 HB3 GLU A 84 10.858 1.642 -8.103 1.00 0.80 H new ATOM 0 HG2 GLU A 84 11.369 0.170 -6.443 1.00 1.14 H new ATOM 0 HG3 GLU A 84 12.161 1.573 -5.752 1.00 1.14 H new ATOM 1267 N ILE A 85 10.841 4.127 -4.716 1.00 0.57 N ATOM 1268 CA ILE A 85 10.252 4.709 -3.490 1.00 0.54 C ATOM 1269 C ILE A 85 10.003 6.241 -3.574 1.00 0.50 C ATOM 1270 O ILE A 85 9.183 6.772 -2.820 1.00 0.50 O ATOM 1271 CB ILE A 85 11.112 4.322 -2.236 1.00 0.54 C ATOM 1272 CG1 ILE A 85 10.285 4.395 -0.940 1.00 0.52 C ATOM 1273 CG2 ILE A 85 12.375 5.176 -2.101 1.00 0.57 C ATOM 1274 CD1 ILE A 85 10.499 3.211 -0.018 1.00 0.57 C ATOM 0 H ILE A 85 11.718 3.632 -4.554 1.00 0.57 H new ATOM 0 HA ILE A 85 9.259 4.272 -3.384 1.00 0.54 H new ATOM 0 HB ILE A 85 11.427 3.291 -2.395 1.00 0.54 H new ATOM 0 HG12 ILE A 85 10.540 5.311 -0.407 1.00 0.52 H new ATOM 0 HG13 ILE A 85 9.228 4.459 -1.196 1.00 0.52 H new ATOM 0 HG21 ILE A 85 12.932 4.865 -1.217 1.00 0.57 H new ATOM 0 HG22 ILE A 85 12.998 5.047 -2.986 1.00 0.57 H new ATOM 0 HG23 ILE A 85 12.096 6.225 -2.004 1.00 0.57 H new ATOM 0 HD11 ILE A 85 9.885 3.329 0.875 1.00 0.57 H new ATOM 0 HD12 ILE A 85 10.217 2.293 -0.533 1.00 0.57 H new ATOM 0 HD13 ILE A 85 11.549 3.158 0.268 1.00 0.57 H new ATOM 1286 N ARG A 86 10.708 6.928 -4.485 1.00 0.50 N ATOM 1287 CA ARG A 86 10.549 8.379 -4.674 1.00 0.50 C ATOM 1288 C ARG A 86 9.382 8.698 -5.612 1.00 0.52 C ATOM 1289 O ARG A 86 8.719 9.727 -5.455 1.00 0.53 O ATOM 1290 CB ARG A 86 11.847 9.024 -5.181 1.00 0.54 C ATOM 1291 CG ARG A 86 12.953 8.044 -5.528 1.00 1.10 C ATOM 1292 CD ARG A 86 14.245 8.772 -5.844 1.00 1.26 C ATOM 1293 NE ARG A 86 15.340 7.848 -6.156 1.00 1.79 N ATOM 1294 CZ ARG A 86 16.477 8.192 -6.778 1.00 2.08 C ATOM 1295 NH1 ARG A 86 16.696 9.446 -7.169 1.00 1.78 N ATOM 1296 NH2 ARG A 86 17.401 7.270 -7.009 1.00 2.95 N ATOM 0 H ARG A 86 11.396 6.501 -5.105 1.00 0.50 H new ATOM 0 HA ARG A 86 10.320 8.807 -3.698 1.00 0.50 H new ATOM 0 HB2 ARG A 86 11.619 9.620 -6.065 1.00 0.54 H new ATOM 0 HB3 ARG A 86 12.216 9.711 -4.420 1.00 0.54 H new ATOM 0 HG2 ARG A 86 13.112 7.359 -4.695 1.00 1.10 H new ATOM 0 HG3 ARG A 86 12.653 7.440 -6.384 1.00 1.10 H new ATOM 0 HD2 ARG A 86 14.085 9.442 -6.689 1.00 1.26 H new ATOM 0 HD3 ARG A 86 14.527 9.393 -4.994 1.00 1.26 H new ATOM 0 HE ARG A 86 15.229 6.872 -5.880 1.00 1.79 H new ATOM 0 HH11 ARG A 86 15.992 10.164 -6.997 1.00 1.78 H new ATOM 0 HH12 ARG A 86 17.567 9.688 -7.641 1.00 1.78 H new ATOM 0 HH21 ARG A 86 17.245 6.306 -6.714 1.00 2.95 H new ATOM 0 HH22 ARG A 86 18.268 7.524 -7.482 1.00 2.95 H new ATOM 1310 N GLU A 87 9.146 7.812 -6.589 1.00 0.57 N ATOM 1311 CA GLU A 87 8.023 7.952 -7.527 1.00 0.63 C ATOM 1312 C GLU A 87 6.798 7.312 -6.900 1.00 0.62 C ATOM 1313 O GLU A 87 5.658 7.690 -7.185 1.00 0.65 O ATOM 1314 CB GLU A 87 8.345 7.298 -8.871 1.00 0.73 C ATOM 1315 CG GLU A 87 9.492 7.964 -9.619 1.00 0.77 C ATOM 1316 CD GLU A 87 9.840 7.252 -10.911 1.00 1.39 C ATOM 1317 OE1 GLU A 87 9.262 7.609 -11.960 1.00 2.08 O ATOM 1318 OE2 GLU A 87 10.690 6.338 -10.876 1.00 2.02 O ATOM 0 H GLU A 87 9.722 6.986 -6.751 1.00 0.57 H new ATOM 0 HA GLU A 87 7.836 9.008 -7.720 1.00 0.63 H new ATOM 0 HB2 GLU A 87 8.592 6.250 -8.704 1.00 0.73 H new ATOM 0 HB3 GLU A 87 7.454 7.320 -9.498 1.00 0.73 H new ATOM 0 HG2 GLU A 87 9.225 8.998 -9.839 1.00 0.77 H new ATOM 0 HG3 GLU A 87 10.372 7.992 -8.976 1.00 0.77 H new ATOM 1325 N ALA A 88 7.074 6.327 -6.035 1.00 0.60 N ATOM 1326 CA ALA A 88 6.058 5.647 -5.243 1.00 0.62 C ATOM 1327 C ALA A 88 5.572 6.617 -4.166 1.00 0.55 C ATOM 1328 O ALA A 88 4.513 6.433 -3.565 1.00 0.56 O ATOM 1329 CB ALA A 88 6.611 4.360 -4.651 1.00 0.70 C ATOM 0 H ALA A 88 8.019 5.982 -5.869 1.00 0.60 H new ATOM 0 HA ALA A 88 5.213 5.357 -5.868 1.00 0.62 H new ATOM 0 HB1 ALA A 88 5.836 3.868 -4.063 1.00 0.70 H new ATOM 0 HB2 ALA A 88 6.932 3.698 -5.455 1.00 0.70 H new ATOM 0 HB3 ALA A 88 7.462 4.591 -4.010 1.00 0.70 H new ATOM 1335 N PHE A 89 6.408 7.654 -3.934 1.00 0.51 N ATOM 1336 CA PHE A 89 6.093 8.753 -3.017 1.00 0.49 C ATOM 1337 C PHE A 89 5.061 9.635 -3.690 1.00 0.47 C ATOM 1338 O PHE A 89 4.095 10.081 -3.066 1.00 0.47 O ATOM 1339 CB PHE A 89 7.299 9.667 -2.739 1.00 0.51 C ATOM 1340 CG PHE A 89 7.260 10.326 -1.386 1.00 0.53 C ATOM 1341 CD1 PHE A 89 7.549 9.609 -0.235 1.00 1.27 C ATOM 1342 CD2 PHE A 89 6.924 11.665 -1.271 1.00 1.19 C ATOM 1343 CE1 PHE A 89 7.502 10.217 1.002 1.00 1.29 C ATOM 1344 CE2 PHE A 89 6.878 12.277 -0.037 1.00 1.22 C ATOM 1345 CZ PHE A 89 7.165 11.553 1.101 1.00 0.65 C ATOM 0 H PHE A 89 7.320 7.745 -4.382 1.00 0.51 H new ATOM 0 HA PHE A 89 5.759 8.304 -2.081 1.00 0.49 H new ATOM 0 HB2 PHE A 89 8.214 9.081 -2.822 1.00 0.51 H new ATOM 0 HB3 PHE A 89 7.344 10.438 -3.508 1.00 0.51 H new ATOM 0 HD1 PHE A 89 7.813 8.564 -0.308 1.00 1.27 H new ATOM 0 HD2 PHE A 89 6.695 12.236 -2.159 1.00 1.19 H new ATOM 0 HE1 PHE A 89 7.728 9.649 1.892 1.00 1.29 H new ATOM 0 HE2 PHE A 89 6.617 13.322 0.039 1.00 1.22 H new ATOM 0 HZ PHE A 89 7.126 12.030 2.069 1.00 0.65 H new ATOM 1355 N ARG A 90 5.294 9.861 -5.000 1.00 0.50 N ATOM 1356 CA ARG A 90 4.434 10.697 -5.818 1.00 0.54 C ATOM 1357 C ARG A 90 3.013 10.131 -5.923 1.00 0.54 C ATOM 1358 O ARG A 90 2.078 10.831 -6.324 1.00 0.60 O ATOM 1359 CB ARG A 90 5.035 10.848 -7.212 1.00 0.62 C ATOM 1360 CG ARG A 90 6.127 11.895 -7.300 1.00 1.26 C ATOM 1361 CD ARG A 90 6.804 11.848 -8.654 1.00 1.50 C ATOM 1362 NE ARG A 90 7.933 12.780 -8.742 1.00 2.03 N ATOM 1363 CZ ARG A 90 8.772 12.868 -9.784 1.00 2.50 C ATOM 1364 NH1 ARG A 90 8.631 12.083 -10.852 1.00 2.61 N ATOM 1365 NH2 ARG A 90 9.761 13.750 -9.755 1.00 3.17 N ATOM 0 H ARG A 90 6.086 9.463 -5.506 1.00 0.50 H new ATOM 0 HA ARG A 90 4.365 11.672 -5.335 1.00 0.54 H new ATOM 0 HB2 ARG A 90 5.440 9.887 -7.528 1.00 0.62 H new ATOM 0 HB3 ARG A 90 4.241 11.105 -7.913 1.00 0.62 H new ATOM 0 HG2 ARG A 90 5.703 12.885 -7.134 1.00 1.26 H new ATOM 0 HG3 ARG A 90 6.863 11.727 -6.514 1.00 1.26 H new ATOM 0 HD2 ARG A 90 7.156 10.835 -8.847 1.00 1.50 H new ATOM 0 HD3 ARG A 90 6.077 12.087 -9.430 1.00 1.50 H new ATOM 0 HE ARG A 90 8.091 13.407 -7.953 1.00 2.03 H new ATOM 0 HH11 ARG A 90 7.874 11.400 -10.887 1.00 2.61 H new ATOM 0 HH12 ARG A 90 9.280 12.165 -11.635 1.00 2.61 H new ATOM 0 HH21 ARG A 90 9.880 14.356 -8.943 1.00 3.17 H new ATOM 0 HH22 ARG A 90 10.403 13.822 -10.544 1.00 3.17 H new ATOM 1379 N VAL A 91 2.890 8.845 -5.563 1.00 0.51 N ATOM 1380 CA VAL A 91 1.629 8.097 -5.566 1.00 0.53 C ATOM 1381 C VAL A 91 0.494 8.869 -4.854 1.00 0.54 C ATOM 1382 O VAL A 91 -0.616 8.976 -5.383 1.00 0.60 O ATOM 1383 CB VAL A 91 1.873 6.686 -4.932 1.00 0.51 C ATOM 1384 CG1 VAL A 91 1.452 6.587 -3.467 1.00 0.47 C ATOM 1385 CG2 VAL A 91 1.217 5.610 -5.770 1.00 0.59 C ATOM 0 H VAL A 91 3.685 8.285 -5.255 1.00 0.51 H new ATOM 0 HA VAL A 91 1.294 7.968 -6.595 1.00 0.53 H new ATOM 0 HB VAL A 91 2.952 6.530 -4.933 1.00 0.51 H new ATOM 0 HG11 VAL A 91 1.652 5.581 -3.098 1.00 0.47 H new ATOM 0 HG12 VAL A 91 2.017 7.309 -2.877 1.00 0.47 H new ATOM 0 HG13 VAL A 91 0.387 6.801 -3.379 1.00 0.47 H new ATOM 0 HG21 VAL A 91 1.396 4.635 -5.316 1.00 0.59 H new ATOM 0 HG22 VAL A 91 0.144 5.794 -5.823 1.00 0.59 H new ATOM 0 HG23 VAL A 91 1.638 5.625 -6.775 1.00 0.59 H new ATOM 1395 N PHE A 92 0.799 9.392 -3.660 1.00 0.49 N ATOM 1396 CA PHE A 92 -0.141 10.178 -2.886 1.00 0.54 C ATOM 1397 C PHE A 92 0.278 11.634 -2.888 1.00 0.60 C ATOM 1398 O PHE A 92 -0.560 12.538 -2.827 1.00 0.69 O ATOM 1399 CB PHE A 92 -0.268 9.665 -1.453 1.00 0.53 C ATOM 1400 CG PHE A 92 -1.264 8.547 -1.318 1.00 1.18 C ATOM 1401 CD1 PHE A 92 -2.628 8.788 -1.445 1.00 1.94 C ATOM 1402 CD2 PHE A 92 -0.839 7.257 -1.079 1.00 1.92 C ATOM 1403 CE1 PHE A 92 -3.539 7.758 -1.338 1.00 2.69 C ATOM 1404 CE2 PHE A 92 -1.745 6.228 -0.968 1.00 2.68 C ATOM 1405 CZ PHE A 92 -3.096 6.475 -1.098 1.00 2.89 C ATOM 0 H PHE A 92 1.708 9.276 -3.212 1.00 0.49 H new ATOM 0 HA PHE A 92 -1.120 10.082 -3.355 1.00 0.54 H new ATOM 0 HB2 PHE A 92 0.707 9.320 -1.108 1.00 0.53 H new ATOM 0 HB3 PHE A 92 -0.563 10.488 -0.803 1.00 0.53 H new ATOM 0 HD1 PHE A 92 -2.978 9.793 -1.629 1.00 1.94 H new ATOM 0 HD2 PHE A 92 0.217 7.052 -0.978 1.00 1.92 H new ATOM 0 HE1 PHE A 92 -4.596 7.956 -1.442 1.00 2.69 H new ATOM 0 HE2 PHE A 92 -1.397 5.223 -0.778 1.00 2.68 H new ATOM 0 HZ PHE A 92 -3.805 5.665 -1.012 1.00 2.89 H new ATOM 1415 N ALA A 93 1.602 11.838 -2.957 1.00 0.57 N ATOM 1416 CA ALA A 93 2.206 13.178 -2.984 1.00 0.66 C ATOM 1417 C ALA A 93 1.663 14.043 -4.125 1.00 0.85 C ATOM 1418 O ALA A 93 1.099 15.112 -3.877 1.00 1.63 O ATOM 1419 CB ALA A 93 3.733 13.098 -3.107 1.00 0.65 C ATOM 0 H ALA A 93 2.283 11.080 -2.996 1.00 0.57 H new ATOM 0 HA ALA A 93 1.936 13.646 -2.037 1.00 0.66 H new ATOM 0 HB1 ALA A 93 4.150 14.105 -3.124 1.00 0.65 H new ATOM 0 HB2 ALA A 93 4.139 12.552 -2.255 1.00 0.65 H new ATOM 0 HB3 ALA A 93 3.997 12.580 -4.029 1.00 0.65 H new ATOM 1425 N LYS A 94 1.821 13.543 -5.376 1.00 1.24 N ATOM 1426 CA LYS A 94 1.419 14.256 -6.609 1.00 1.42 C ATOM 1427 C LYS A 94 1.753 15.730 -6.500 1.00 1.36 C ATOM 1428 O LYS A 94 0.931 16.571 -6.115 1.00 1.78 O ATOM 1429 CB LYS A 94 -0.046 14.070 -6.969 1.00 1.75 C ATOM 1430 CG LYS A 94 -0.440 12.638 -7.304 1.00 2.06 C ATOM 1431 CD LYS A 94 -1.881 12.557 -7.786 1.00 2.52 C ATOM 1432 CE LYS A 94 -2.285 11.129 -8.125 1.00 2.90 C ATOM 1433 NZ LYS A 94 -2.512 10.305 -6.904 1.00 3.37 N ATOM 0 H LYS A 94 2.234 12.628 -5.556 1.00 1.24 H new ATOM 0 HA LYS A 94 1.992 13.808 -7.421 1.00 1.42 H new ATOM 0 HB2 LYS A 94 -0.658 14.416 -6.136 1.00 1.75 H new ATOM 0 HB3 LYS A 94 -0.280 14.706 -7.822 1.00 1.75 H new ATOM 0 HG2 LYS A 94 0.225 12.247 -8.074 1.00 2.06 H new ATOM 0 HG3 LYS A 94 -0.313 12.009 -6.423 1.00 2.06 H new ATOM 0 HD2 LYS A 94 -2.545 12.949 -7.015 1.00 2.52 H new ATOM 0 HD3 LYS A 94 -2.006 13.189 -8.666 1.00 2.52 H new ATOM 0 HE2 LYS A 94 -3.194 11.143 -8.726 1.00 2.90 H new ATOM 0 HE3 LYS A 94 -1.507 10.668 -8.734 1.00 2.90 H new ATOM 0 HZ1 LYS A 94 -2.976 9.413 -7.169 1.00 3.37 H new ATOM 0 HZ2 LYS A 94 -1.599 10.099 -6.450 1.00 3.37 H new ATOM 0 HZ3 LYS A 94 -3.119 10.828 -6.240 1.00 3.37 H new ATOM 1447 N ASP A 95 3.009 15.999 -6.821 1.00 1.40 N ATOM 1448 CA ASP A 95 3.631 17.341 -6.717 1.00 1.71 C ATOM 1449 C ASP A 95 3.720 17.705 -5.232 1.00 1.53 C ATOM 1450 O ASP A 95 4.012 18.850 -4.863 1.00 1.84 O ATOM 1451 CB ASP A 95 2.875 18.453 -7.484 1.00 2.30 C ATOM 1452 CG ASP A 95 2.332 18.006 -8.833 1.00 2.81 C ATOM 1453 OD1 ASP A 95 1.181 17.521 -8.879 1.00 3.23 O ATOM 1454 OD2 ASP A 95 3.058 18.142 -9.840 1.00 3.21 O ATOM 0 H ASP A 95 3.650 15.287 -7.170 1.00 1.40 H new ATOM 0 HA ASP A 95 4.614 17.282 -7.184 1.00 1.71 H new ATOM 0 HB2 ASP A 95 2.048 18.808 -6.869 1.00 2.30 H new ATOM 0 HB3 ASP A 95 3.546 19.299 -7.635 1.00 2.30 H new ATOM 1459 N GLY A 96 3.465 16.673 -4.390 1.00 1.38 N ATOM 1460 CA GLY A 96 3.483 16.797 -2.928 1.00 1.83 C ATOM 1461 C GLY A 96 4.661 17.586 -2.391 1.00 1.85 C ATOM 1462 O GLY A 96 4.533 18.270 -1.371 1.00 2.43 O ATOM 0 H GLY A 96 3.241 15.733 -4.716 1.00 1.38 H new ATOM 0 HA2 GLY A 96 2.559 17.276 -2.603 1.00 1.83 H new ATOM 0 HA3 GLY A 96 3.496 15.799 -2.489 1.00 1.83 H new ATOM 1466 N ASN A 97 5.820 17.479 -3.089 1.00 1.55 N ATOM 1467 CA ASN A 97 7.063 18.206 -2.741 1.00 1.99 C ATOM 1468 C ASN A 97 7.671 17.753 -1.403 1.00 1.78 C ATOM 1469 O ASN A 97 8.844 18.014 -1.121 1.00 2.66 O ATOM 1470 CB ASN A 97 6.746 19.690 -2.707 1.00 2.43 C ATOM 1471 CG ASN A 97 7.959 20.582 -2.917 1.00 3.41 C ATOM 1472 OD1 ASN A 97 8.637 20.963 -1.963 1.00 4.01 O ATOM 1473 ND2 ASN A 97 8.235 20.918 -4.172 1.00 4.00 N ATOM 0 H ASN A 97 5.917 16.883 -3.911 1.00 1.55 H new ATOM 0 HA ASN A 97 7.815 17.984 -3.498 1.00 1.99 H new ATOM 0 HB2 ASN A 97 6.006 19.912 -3.476 1.00 2.43 H new ATOM 0 HB3 ASN A 97 6.290 19.933 -1.747 1.00 2.43 H new ATOM 0 HD21 ASN A 97 9.037 21.515 -4.376 1.00 4.00 H new ATOM 0 HD22 ASN A 97 7.645 20.579 -4.932 1.00 4.00 H new ATOM 1480 N GLY A 98 6.850 17.082 -0.610 1.00 1.20 N ATOM 1481 CA GLY A 98 7.264 16.569 0.684 1.00 1.80 C ATOM 1482 C GLY A 98 6.619 17.307 1.838 1.00 1.46 C ATOM 1483 O GLY A 98 7.284 18.048 2.567 1.00 1.68 O ATOM 0 H GLY A 98 5.879 16.879 -0.846 1.00 1.20 H new ATOM 0 HA2 GLY A 98 7.012 15.511 0.748 1.00 1.80 H new ATOM 0 HA3 GLY A 98 8.348 16.644 0.770 1.00 1.80 H new ATOM 1487 N TYR A 99 5.305 17.091 1.985 1.00 1.07 N ATOM 1488 CA TYR A 99 4.496 17.688 3.057 1.00 0.84 C ATOM 1489 C TYR A 99 3.247 16.822 3.311 1.00 0.81 C ATOM 1490 O TYR A 99 2.175 17.332 3.664 1.00 0.96 O ATOM 1491 CB TYR A 99 4.078 19.132 2.697 1.00 1.07 C ATOM 1492 CG TYR A 99 5.188 20.154 2.825 1.00 1.57 C ATOM 1493 CD1 TYR A 99 5.517 20.704 4.060 1.00 2.28 C ATOM 1494 CD2 TYR A 99 5.903 20.574 1.710 1.00 2.37 C ATOM 1495 CE1 TYR A 99 6.527 21.640 4.178 1.00 3.13 C ATOM 1496 CE2 TYR A 99 6.915 21.509 1.821 1.00 3.24 C ATOM 1497 CZ TYR A 99 7.222 22.039 3.056 1.00 3.46 C ATOM 1498 OH TYR A 99 8.228 22.971 3.170 1.00 4.47 O ATOM 0 H TYR A 99 4.769 16.492 1.358 1.00 1.07 H new ATOM 0 HA TYR A 99 5.099 17.727 3.964 1.00 0.84 H new ATOM 0 HB2 TYR A 99 3.705 19.145 1.673 1.00 1.07 H new ATOM 0 HB3 TYR A 99 3.251 19.429 3.341 1.00 1.07 H new ATOM 0 HD1 TYR A 99 4.974 20.394 4.941 1.00 2.28 H new ATOM 0 HD2 TYR A 99 5.664 20.163 0.740 1.00 2.37 H new ATOM 0 HE1 TYR A 99 6.771 22.057 5.144 1.00 3.13 H new ATOM 0 HE2 TYR A 99 7.462 21.823 0.945 1.00 3.24 H new ATOM 0 HH TYR A 99 8.618 23.141 2.287 1.00 4.47 H new ATOM 1508 N ILE A 100 3.408 15.496 3.153 1.00 1.17 N ATOM 1509 CA ILE A 100 2.305 14.536 3.322 1.00 1.39 C ATOM 1510 C ILE A 100 2.075 14.176 4.801 1.00 1.13 C ATOM 1511 O ILE A 100 2.799 13.369 5.391 1.00 1.43 O ATOM 1512 CB ILE A 100 2.531 13.248 2.456 1.00 2.12 C ATOM 1513 CG1 ILE A 100 2.567 13.598 0.960 1.00 2.36 C ATOM 1514 CG2 ILE A 100 1.445 12.199 2.698 1.00 2.84 C ATOM 1515 CD1 ILE A 100 3.947 13.936 0.438 1.00 3.08 C ATOM 0 H ILE A 100 4.298 15.064 2.907 1.00 1.17 H new ATOM 0 HA ILE A 100 1.400 15.026 2.964 1.00 1.39 H new ATOM 0 HB ILE A 100 3.490 12.829 2.760 1.00 2.12 H new ATOM 0 HG12 ILE A 100 2.171 12.757 0.391 1.00 2.36 H new ATOM 0 HG13 ILE A 100 1.905 14.445 0.780 1.00 2.36 H new ATOM 0 HG21 ILE A 100 1.640 11.324 2.078 1.00 2.84 H new ATOM 0 HG22 ILE A 100 1.448 11.908 3.748 1.00 2.84 H new ATOM 0 HG23 ILE A 100 0.472 12.617 2.440 1.00 2.84 H new ATOM 0 HD11 ILE A 100 3.887 14.171 -0.625 1.00 3.08 H new ATOM 0 HD12 ILE A 100 4.340 14.797 0.978 1.00 3.08 H new ATOM 0 HD13 ILE A 100 4.610 13.083 0.584 1.00 3.08 H new ATOM 1527 N SER A 101 1.041 14.805 5.365 1.00 0.79 N ATOM 1528 CA SER A 101 0.620 14.613 6.749 1.00 0.64 C ATOM 1529 C SER A 101 -0.122 13.313 6.981 1.00 0.64 C ATOM 1530 O SER A 101 -0.724 12.742 6.067 1.00 0.70 O ATOM 1531 CB SER A 101 -0.275 15.792 7.170 1.00 0.71 C ATOM 1532 OG SER A 101 -1.476 15.829 6.413 1.00 1.45 O ATOM 0 H SER A 101 0.463 15.476 4.859 1.00 0.79 H new ATOM 0 HA SER A 101 1.526 14.567 7.353 1.00 0.64 H new ATOM 0 HB2 SER A 101 -0.514 15.708 8.230 1.00 0.71 H new ATOM 0 HB3 SER A 101 0.268 16.728 7.039 1.00 0.71 H new ATOM 0 HG SER A 101 -1.948 16.670 6.589 1.00 1.45 H new ATOM 1538 N ALA A 102 -0.054 12.864 8.242 1.00 0.72 N ATOM 1539 CA ALA A 102 -0.759 11.675 8.706 1.00 0.83 C ATOM 1540 C ALA A 102 -2.258 11.956 8.678 1.00 0.77 C ATOM 1541 O ALA A 102 -3.085 11.050 8.789 1.00 0.87 O ATOM 1542 CB ALA A 102 -0.308 11.304 10.107 1.00 1.01 C ATOM 0 H ALA A 102 0.496 13.323 8.968 1.00 0.72 H new ATOM 0 HA ALA A 102 -0.534 10.833 8.052 1.00 0.83 H new ATOM 0 HB1 ALA A 102 -0.844 10.415 10.438 1.00 1.01 H new ATOM 0 HB2 ALA A 102 0.763 11.102 10.103 1.00 1.01 H new ATOM 0 HB3 ALA A 102 -0.519 12.129 10.788 1.00 1.01 H new ATOM 1548 N ALA A 103 -2.575 13.257 8.532 1.00 0.68 N ATOM 1549 CA ALA A 103 -3.958 13.738 8.450 1.00 0.71 C ATOM 1550 C ALA A 103 -4.584 13.349 7.106 1.00 0.64 C ATOM 1551 O ALA A 103 -5.807 13.367 6.945 1.00 0.71 O ATOM 1552 CB ALA A 103 -4.008 15.246 8.645 1.00 0.84 C ATOM 0 H ALA A 103 -1.878 13.999 8.468 1.00 0.68 H new ATOM 0 HA ALA A 103 -4.535 13.267 9.246 1.00 0.71 H new ATOM 0 HB1 ALA A 103 -5.041 15.587 8.581 1.00 0.84 H new ATOM 0 HB2 ALA A 103 -3.602 15.500 9.624 1.00 0.84 H new ATOM 0 HB3 ALA A 103 -3.417 15.733 7.870 1.00 0.84 H new ATOM 1558 N GLU A 104 -3.707 12.998 6.147 1.00 0.59 N ATOM 1559 CA GLU A 104 -4.094 12.568 4.805 1.00 0.69 C ATOM 1560 C GLU A 104 -4.836 11.232 4.816 1.00 0.67 C ATOM 1561 O GLU A 104 -5.473 10.879 3.827 1.00 0.74 O ATOM 1562 CB GLU A 104 -2.884 12.514 3.894 1.00 0.85 C ATOM 1563 CG GLU A 104 -2.502 13.883 3.350 1.00 0.99 C ATOM 1564 CD GLU A 104 -1.503 13.825 2.208 1.00 1.24 C ATOM 1565 OE1 GLU A 104 -1.754 13.092 1.226 1.00 1.81 O ATOM 1566 OE2 GLU A 104 -0.477 14.530 2.287 1.00 1.65 O ATOM 0 H GLU A 104 -2.697 13.008 6.292 1.00 0.59 H new ATOM 0 HA GLU A 104 -4.790 13.310 4.414 1.00 0.69 H new ATOM 0 HB2 GLU A 104 -2.039 12.096 4.442 1.00 0.85 H new ATOM 0 HB3 GLU A 104 -3.090 11.840 3.062 1.00 0.85 H new ATOM 0 HG2 GLU A 104 -3.403 14.393 3.009 1.00 0.99 H new ATOM 0 HG3 GLU A 104 -2.083 14.482 4.158 1.00 0.99 H new ATOM 1573 N LEU A 105 -4.723 10.474 5.933 1.00 0.68 N ATOM 1574 CA LEU A 105 -5.423 9.185 6.100 1.00 0.80 C ATOM 1575 C LEU A 105 -6.919 9.303 5.856 1.00 0.68 C ATOM 1576 O LEU A 105 -7.609 8.317 5.580 1.00 0.69 O ATOM 1577 CB LEU A 105 -5.186 8.628 7.497 1.00 1.07 C ATOM 1578 CG LEU A 105 -4.094 7.576 7.592 1.00 1.38 C ATOM 1579 CD1 LEU A 105 -2.985 8.055 8.507 1.00 1.58 C ATOM 1580 CD2 LEU A 105 -4.681 6.259 8.077 1.00 1.81 C ATOM 0 H LEU A 105 -4.149 10.738 6.734 1.00 0.68 H new ATOM 0 HA LEU A 105 -5.012 8.506 5.353 1.00 0.80 H new ATOM 0 HB2 LEU A 105 -4.934 9.453 8.163 1.00 1.07 H new ATOM 0 HB3 LEU A 105 -6.118 8.197 7.863 1.00 1.07 H new ATOM 0 HG LEU A 105 -3.665 7.412 6.603 1.00 1.38 H new ATOM 0 HD11 LEU A 105 -2.208 7.293 8.567 1.00 1.58 H new ATOM 0 HD12 LEU A 105 -2.559 8.977 8.111 1.00 1.58 H new ATOM 0 HD13 LEU A 105 -3.389 8.241 9.502 1.00 1.58 H new ATOM 0 HD21 LEU A 105 -3.891 5.511 8.142 1.00 1.81 H new ATOM 0 HD22 LEU A 105 -5.129 6.401 9.061 1.00 1.81 H new ATOM 0 HD23 LEU A 105 -5.444 5.921 7.376 1.00 1.81 H new ATOM 1592 N ARG A 106 -7.383 10.531 5.964 1.00 0.65 N ATOM 1593 CA ARG A 106 -8.760 10.902 5.745 1.00 0.68 C ATOM 1594 C ARG A 106 -9.027 11.024 4.234 1.00 0.66 C ATOM 1595 O ARG A 106 -10.112 10.682 3.761 1.00 0.74 O ATOM 1596 CB ARG A 106 -8.961 12.224 6.480 1.00 0.79 C ATOM 1597 CG ARG A 106 -10.177 13.052 6.066 1.00 0.97 C ATOM 1598 CD ARG A 106 -10.286 14.329 6.884 1.00 1.46 C ATOM 1599 NE ARG A 106 -11.459 15.125 6.505 1.00 1.70 N ATOM 1600 CZ ARG A 106 -11.864 16.236 7.137 1.00 2.20 C ATOM 1601 NH1 ARG A 106 -11.203 16.710 8.192 1.00 2.54 N ATOM 1602 NH2 ARG A 106 -12.942 16.877 6.706 1.00 2.39 N ATOM 0 H ARG A 106 -6.790 11.322 6.215 1.00 0.65 H new ATOM 0 HA ARG A 106 -9.462 10.158 6.121 1.00 0.68 H new ATOM 0 HB2 ARG A 106 -9.038 12.014 7.547 1.00 0.79 H new ATOM 0 HB3 ARG A 106 -8.068 12.833 6.338 1.00 0.79 H new ATOM 0 HG2 ARG A 106 -10.105 13.302 5.007 1.00 0.97 H new ATOM 0 HG3 ARG A 106 -11.083 12.459 6.193 1.00 0.97 H new ATOM 0 HD2 ARG A 106 -10.345 14.077 7.943 1.00 1.46 H new ATOM 0 HD3 ARG A 106 -9.384 14.925 6.748 1.00 1.46 H new ATOM 0 HE ARG A 106 -12.006 14.811 5.703 1.00 1.70 H new ATOM 0 HH11 ARG A 106 -10.372 16.226 8.533 1.00 2.54 H new ATOM 0 HH12 ARG A 106 -11.528 17.557 8.659 1.00 2.54 H new ATOM 0 HH21 ARG A 106 -13.457 16.524 5.899 1.00 2.39 H new ATOM 0 HH22 ARG A 106 -13.257 17.723 7.181 1.00 2.39 H new ATOM 1616 N HIS A 107 -8.016 11.516 3.497 1.00 0.67 N ATOM 1617 CA HIS A 107 -8.106 11.678 2.043 1.00 0.82 C ATOM 1618 C HIS A 107 -7.697 10.403 1.298 1.00 0.87 C ATOM 1619 O HIS A 107 -8.235 10.106 0.228 1.00 1.00 O ATOM 1620 CB HIS A 107 -7.218 12.841 1.604 1.00 0.94 C ATOM 1621 CG HIS A 107 -7.810 14.188 1.886 1.00 1.07 C ATOM 1622 ND1 HIS A 107 -7.441 14.962 2.966 1.00 1.56 N ATOM 1623 CD2 HIS A 107 -8.748 14.901 1.218 1.00 1.61 C ATOM 1624 CE1 HIS A 107 -8.127 16.091 2.952 1.00 1.49 C ATOM 1625 NE2 HIS A 107 -8.926 16.078 1.901 1.00 1.46 N ATOM 0 H HIS A 107 -7.122 11.809 3.892 1.00 0.67 H new ATOM 0 HA HIS A 107 -9.147 11.885 1.793 1.00 0.82 H new ATOM 0 HB2 HIS A 107 -6.256 12.763 2.110 1.00 0.94 H new ATOM 0 HB3 HIS A 107 -7.024 12.755 0.535 1.00 0.94 H new ATOM 0 HD2 HIS A 107 -9.260 14.600 0.316 1.00 1.61 H new ATOM 0 HE1 HIS A 107 -8.048 16.888 3.676 1.00 1.49 H new ATOM 0 HE2 HIS A 107 -9.572 16.823 1.639 1.00 1.46 H new ATOM 1634 N VAL A 108 -6.741 9.661 1.874 1.00 0.90 N ATOM 1635 CA VAL A 108 -6.235 8.408 1.297 1.00 1.11 C ATOM 1636 C VAL A 108 -7.346 7.356 1.126 1.00 0.96 C ATOM 1637 O VAL A 108 -7.434 6.713 0.076 1.00 0.99 O ATOM 1638 CB VAL A 108 -5.077 7.819 2.163 1.00 1.41 C ATOM 1639 CG1 VAL A 108 -4.809 6.348 1.850 1.00 2.42 C ATOM 1640 CG2 VAL A 108 -3.794 8.618 1.975 1.00 0.86 C ATOM 0 H VAL A 108 -6.296 9.914 2.756 1.00 0.90 H new ATOM 0 HA VAL A 108 -5.851 8.654 0.307 1.00 1.11 H new ATOM 0 HB VAL A 108 -5.402 7.891 3.201 1.00 1.41 H new ATOM 0 HG11 VAL A 108 -3.995 5.985 2.478 1.00 2.42 H new ATOM 0 HG12 VAL A 108 -5.708 5.764 2.047 1.00 2.42 H new ATOM 0 HG13 VAL A 108 -4.532 6.244 0.801 1.00 2.42 H new ATOM 0 HG21 VAL A 108 -3.004 8.187 2.589 1.00 0.86 H new ATOM 0 HG22 VAL A 108 -3.497 8.587 0.927 1.00 0.86 H new ATOM 0 HG23 VAL A 108 -3.962 9.652 2.274 1.00 0.86 H new ATOM 1650 N MET A 109 -8.181 7.193 2.160 1.00 0.88 N ATOM 1651 CA MET A 109 -9.264 6.202 2.130 1.00 0.80 C ATOM 1652 C MET A 109 -10.491 6.690 1.343 1.00 0.72 C ATOM 1653 O MET A 109 -11.249 5.876 0.815 1.00 0.73 O ATOM 1654 CB MET A 109 -9.610 5.723 3.561 1.00 0.80 C ATOM 1655 CG MET A 109 -10.130 6.807 4.501 1.00 1.72 C ATOM 1656 SD MET A 109 -10.630 6.157 6.111 1.00 2.24 S ATOM 1657 CE MET A 109 -9.046 5.962 6.929 1.00 3.24 C ATOM 0 H MET A 109 -8.128 7.732 3.024 1.00 0.88 H new ATOM 0 HA MET A 109 -8.903 5.333 1.580 1.00 0.80 H new ATOM 0 HB2 MET A 109 -10.359 4.934 3.492 1.00 0.80 H new ATOM 0 HB3 MET A 109 -8.719 5.278 4.003 1.00 0.80 H new ATOM 0 HG2 MET A 109 -9.355 7.560 4.643 1.00 1.72 H new ATOM 0 HG3 MET A 109 -10.980 7.307 4.036 1.00 1.72 H new ATOM 0 HE1 MET A 109 -9.051 5.044 7.517 1.00 3.24 H new ATOM 0 HE2 MET A 109 -8.254 5.910 6.181 1.00 3.24 H new ATOM 0 HE3 MET A 109 -8.869 6.813 7.587 1.00 3.24 H new ATOM 1667 N THR A 110 -10.657 8.015 1.247 1.00 0.72 N ATOM 1668 CA THR A 110 -11.752 8.620 0.467 1.00 0.77 C ATOM 1669 C THR A 110 -11.319 8.683 -0.999 1.00 0.89 C ATOM 1670 O THR A 110 -12.153 8.876 -1.889 1.00 0.97 O ATOM 1671 CB THR A 110 -12.147 10.024 0.992 1.00 0.83 C ATOM 1672 OG1 THR A 110 -12.236 9.998 2.420 1.00 0.78 O ATOM 1673 CG2 THR A 110 -13.488 10.486 0.423 1.00 0.97 C ATOM 0 H THR A 110 -10.046 8.694 1.701 1.00 0.72 H new ATOM 0 HA THR A 110 -12.643 8.000 0.571 1.00 0.77 H new ATOM 0 HB THR A 110 -11.376 10.724 0.669 1.00 0.83 H new ATOM 0 HG1 THR A 110 -11.456 10.449 2.805 1.00 0.78 H new ATOM 0 HG21 THR A 110 -13.729 11.474 0.815 1.00 0.97 H new ATOM 0 HG22 THR A 110 -13.425 10.533 -0.664 1.00 0.97 H new ATOM 0 HG23 THR A 110 -14.268 9.781 0.711 1.00 0.97 H new ATOM 1681 N ASN A 111 -9.992 8.547 -1.233 1.00 0.96 N ATOM 1682 CA ASN A 111 -9.444 8.466 -2.593 1.00 1.14 C ATOM 1683 C ASN A 111 -10.091 7.242 -3.253 1.00 1.13 C ATOM 1684 O ASN A 111 -10.294 7.192 -4.469 1.00 1.24 O ATOM 1685 CB ASN A 111 -7.916 8.327 -2.556 1.00 1.26 C ATOM 1686 CG ASN A 111 -7.256 8.741 -3.860 1.00 1.50 C ATOM 1687 OD1 ASN A 111 -7.063 7.923 -4.760 1.00 2.08 O ATOM 1688 ND2 ASN A 111 -6.907 10.018 -3.967 1.00 1.85 N ATOM 0 H ASN A 111 -9.290 8.492 -0.495 1.00 0.96 H new ATOM 0 HA ASN A 111 -9.662 9.372 -3.158 1.00 1.14 H new ATOM 0 HB2 ASN A 111 -7.520 8.937 -1.744 1.00 1.26 H new ATOM 0 HB3 ASN A 111 -7.655 7.292 -2.334 1.00 1.26 H new ATOM 0 HD21 ASN A 111 -6.460 10.355 -4.820 1.00 1.85 H new ATOM 0 HD22 ASN A 111 -7.086 10.662 -3.196 1.00 1.85 H new ATOM 1695 N LEU A 112 -10.401 6.258 -2.384 1.00 1.02 N ATOM 1696 CA LEU A 112 -11.125 5.049 -2.755 1.00 1.04 C ATOM 1697 C LEU A 112 -12.619 5.308 -2.511 1.00 0.95 C ATOM 1698 O LEU A 112 -13.486 4.665 -3.108 1.00 1.02 O ATOM 1699 CB LEU A 112 -10.641 3.854 -1.925 1.00 1.07 C ATOM 1700 CG LEU A 112 -9.200 3.411 -2.198 1.00 1.23 C ATOM 1701 CD1 LEU A 112 -8.497 3.054 -0.898 1.00 1.21 C ATOM 1702 CD2 LEU A 112 -9.178 2.231 -3.159 1.00 1.54 C ATOM 0 H LEU A 112 -10.148 6.292 -1.397 1.00 1.02 H new ATOM 0 HA LEU A 112 -10.949 4.809 -3.803 1.00 1.04 H new ATOM 0 HB2 LEU A 112 -10.733 4.105 -0.868 1.00 1.07 H new ATOM 0 HB3 LEU A 112 -11.305 3.010 -2.111 1.00 1.07 H new ATOM 0 HG LEU A 112 -8.666 4.241 -2.661 1.00 1.23 H new ATOM 0 HD11 LEU A 112 -7.475 2.742 -1.111 1.00 1.21 H new ATOM 0 HD12 LEU A 112 -8.481 3.924 -0.242 1.00 1.21 H new ATOM 0 HD13 LEU A 112 -9.030 2.240 -0.408 1.00 1.21 H new ATOM 0 HD21 LEU A 112 -8.147 1.930 -3.342 1.00 1.54 H new ATOM 0 HD22 LEU A 112 -9.728 1.397 -2.724 1.00 1.54 H new ATOM 0 HD23 LEU A 112 -9.644 2.520 -4.101 1.00 1.54 H new ATOM 1714 N GLY A 113 -12.879 6.276 -1.608 1.00 0.83 N ATOM 1715 CA GLY A 113 -14.231 6.705 -1.274 1.00 0.82 C ATOM 1716 C GLY A 113 -14.814 6.048 -0.046 1.00 0.76 C ATOM 1717 O GLY A 113 -16.031 5.868 0.056 1.00 0.82 O ATOM 0 H GLY A 113 -12.151 6.775 -1.097 1.00 0.83 H new ATOM 0 HA2 GLY A 113 -14.229 7.785 -1.126 1.00 0.82 H new ATOM 0 HA3 GLY A 113 -14.883 6.501 -2.123 1.00 0.82 H new ATOM 1721 N GLU A 114 -13.936 5.695 0.875 1.00 0.70 N ATOM 1722 CA GLU A 114 -14.300 5.065 2.138 1.00 0.70 C ATOM 1723 C GLU A 114 -14.950 6.073 3.072 1.00 0.73 C ATOM 1724 O GLU A 114 -14.653 7.271 3.008 1.00 0.73 O ATOM 1725 CB GLU A 114 -13.057 4.490 2.795 1.00 0.70 C ATOM 1726 CG GLU A 114 -12.658 3.116 2.271 1.00 0.79 C ATOM 1727 CD GLU A 114 -13.412 1.984 2.947 1.00 1.18 C ATOM 1728 OE1 GLU A 114 -12.921 1.476 3.978 1.00 1.44 O ATOM 1729 OE2 GLU A 114 -14.492 1.607 2.445 1.00 2.12 O ATOM 0 H GLU A 114 -12.932 5.839 0.768 1.00 0.70 H new ATOM 0 HA GLU A 114 -15.014 4.266 1.937 1.00 0.70 H new ATOM 0 HB2 GLU A 114 -12.227 5.180 2.644 1.00 0.70 H new ATOM 0 HB3 GLU A 114 -13.225 4.423 3.870 1.00 0.70 H new ATOM 0 HG2 GLU A 114 -12.839 3.076 1.197 1.00 0.79 H new ATOM 0 HG3 GLU A 114 -11.588 2.973 2.420 1.00 0.79 H new ATOM 1736 N LYS A 115 -15.826 5.579 3.931 1.00 0.82 N ATOM 1737 CA LYS A 115 -16.540 6.403 4.853 1.00 0.92 C ATOM 1738 C LYS A 115 -15.984 6.269 6.262 1.00 1.06 C ATOM 1739 O LYS A 115 -15.941 5.174 6.834 1.00 1.21 O ATOM 1740 CB LYS A 115 -18.002 6.032 4.783 1.00 1.04 C ATOM 1741 CG LYS A 115 -18.599 6.254 3.390 1.00 1.05 C ATOM 1742 CD LYS A 115 -19.632 5.188 3.025 1.00 1.31 C ATOM 1743 CE LYS A 115 -19.006 4.026 2.257 1.00 1.23 C ATOM 1744 NZ LYS A 115 -18.696 4.390 0.845 1.00 1.56 N ATOM 0 H LYS A 115 -16.053 4.587 3.997 1.00 0.82 H new ATOM 0 HA LYS A 115 -16.422 7.452 4.583 1.00 0.92 H new ATOM 0 HB2 LYS A 115 -18.121 4.985 5.063 1.00 1.04 H new ATOM 0 HB3 LYS A 115 -18.558 6.622 5.511 1.00 1.04 H new ATOM 0 HG2 LYS A 115 -19.066 7.238 3.350 1.00 1.05 H new ATOM 0 HG3 LYS A 115 -17.799 6.250 2.650 1.00 1.05 H new ATOM 0 HD2 LYS A 115 -20.101 4.811 3.934 1.00 1.31 H new ATOM 0 HD3 LYS A 115 -20.421 5.638 2.422 1.00 1.31 H new ATOM 0 HE2 LYS A 115 -18.091 3.711 2.759 1.00 1.23 H new ATOM 0 HE3 LYS A 115 -19.686 3.175 2.271 1.00 1.23 H new ATOM 0 HZ1 LYS A 115 -18.666 3.529 0.263 1.00 1.56 H new ATOM 0 HZ2 LYS A 115 -19.432 5.028 0.481 1.00 1.56 H new ATOM 0 HZ3 LYS A 115 -17.773 4.867 0.804 1.00 1.56 H new ATOM 1758 N LEU A 116 -15.558 7.407 6.798 1.00 1.10 N ATOM 1759 CA LEU A 116 -14.955 7.489 8.119 1.00 1.28 C ATOM 1760 C LEU A 116 -15.659 8.512 9.016 1.00 1.19 C ATOM 1761 O LEU A 116 -16.405 9.368 8.531 1.00 1.19 O ATOM 1762 CB LEU A 116 -13.473 7.864 7.936 1.00 1.54 C ATOM 1763 CG LEU A 116 -13.185 9.245 7.296 1.00 2.66 C ATOM 1764 CD1 LEU A 116 -13.027 10.335 8.350 1.00 3.26 C ATOM 1765 CD2 LEU A 116 -11.951 9.176 6.412 1.00 3.12 C ATOM 0 H LEU A 116 -15.623 8.306 6.321 1.00 1.10 H new ATOM 0 HA LEU A 116 -15.055 6.525 8.617 1.00 1.28 H new ATOM 0 HB2 LEU A 116 -12.990 7.833 8.913 1.00 1.54 H new ATOM 0 HB3 LEU A 116 -13.000 7.098 7.322 1.00 1.54 H new ATOM 0 HG LEU A 116 -14.045 9.507 6.680 1.00 2.66 H new ATOM 0 HD11 LEU A 116 -12.826 11.288 7.861 1.00 3.26 H new ATOM 0 HD12 LEU A 116 -13.945 10.413 8.933 1.00 3.26 H new ATOM 0 HD13 LEU A 116 -12.197 10.085 9.011 1.00 3.26 H new ATOM 0 HD21 LEU A 116 -11.764 10.155 5.971 1.00 3.12 H new ATOM 0 HD22 LEU A 116 -11.091 8.878 7.011 1.00 3.12 H new ATOM 0 HD23 LEU A 116 -12.112 8.446 5.619 1.00 3.12 H new ATOM 1777 N THR A 117 -15.406 8.405 10.325 1.00 1.15 N ATOM 1778 CA THR A 117 -15.950 9.348 11.300 1.00 1.08 C ATOM 1779 C THR A 117 -14.796 10.157 11.890 1.00 0.99 C ATOM 1780 O THR A 117 -13.639 9.731 11.816 1.00 0.98 O ATOM 1781 CB THR A 117 -16.737 8.656 12.440 1.00 1.04 C ATOM 1782 OG1 THR A 117 -17.140 7.336 12.050 1.00 1.34 O ATOM 1783 CG2 THR A 117 -17.974 9.467 12.808 1.00 1.40 C ATOM 0 H THR A 117 -14.826 7.671 10.732 1.00 1.15 H new ATOM 0 HA THR A 117 -16.659 9.992 10.779 1.00 1.08 H new ATOM 0 HB THR A 117 -16.078 8.590 13.305 1.00 1.04 H new ATOM 0 HG1 THR A 117 -16.531 6.999 11.360 1.00 1.34 H new ATOM 0 HG21 THR A 117 -18.513 8.964 13.611 1.00 1.40 H new ATOM 0 HG22 THR A 117 -17.672 10.460 13.140 1.00 1.40 H new ATOM 0 HG23 THR A 117 -18.622 9.557 11.936 1.00 1.40 H new ATOM 1791 N ASP A 118 -15.106 11.317 12.481 1.00 1.00 N ATOM 1792 CA ASP A 118 -14.077 12.191 13.075 1.00 1.00 C ATOM 1793 C ASP A 118 -13.339 11.520 14.241 1.00 0.90 C ATOM 1794 O ASP A 118 -12.214 11.906 14.558 1.00 0.96 O ATOM 1795 CB ASP A 118 -14.701 13.509 13.545 1.00 1.07 C ATOM 1796 CG ASP A 118 -15.139 14.392 12.391 1.00 1.51 C ATOM 1797 OD1 ASP A 118 -16.302 14.266 11.955 1.00 2.18 O ATOM 1798 OD2 ASP A 118 -14.318 15.210 11.925 1.00 2.05 O ATOM 0 H ASP A 118 -16.058 11.675 12.563 1.00 1.00 H new ATOM 0 HA ASP A 118 -13.343 12.390 12.294 1.00 1.00 H new ATOM 0 HB2 ASP A 118 -15.561 13.294 14.179 1.00 1.07 H new ATOM 0 HB3 ASP A 118 -13.980 14.050 14.158 1.00 1.07 H new ATOM 1803 N GLU A 119 -13.980 10.521 14.870 1.00 0.82 N ATOM 1804 CA GLU A 119 -13.384 9.790 15.984 1.00 0.81 C ATOM 1805 C GLU A 119 -12.581 8.588 15.501 1.00 0.77 C ATOM 1806 O GLU A 119 -11.559 8.245 16.103 1.00 0.78 O ATOM 1807 CB GLU A 119 -14.451 9.350 16.991 1.00 0.89 C ATOM 1808 CG GLU A 119 -15.022 10.490 17.822 1.00 1.11 C ATOM 1809 CD GLU A 119 -16.075 10.023 18.808 1.00 1.49 C ATOM 1810 OE1 GLU A 119 -15.708 9.683 19.952 1.00 2.02 O ATOM 1811 OE2 GLU A 119 -17.267 9.998 18.435 1.00 2.07 O ATOM 0 H GLU A 119 -14.917 10.205 14.619 1.00 0.82 H new ATOM 0 HA GLU A 119 -12.698 10.473 16.486 1.00 0.81 H new ATOM 0 HB2 GLU A 119 -15.264 8.862 16.454 1.00 0.89 H new ATOM 0 HB3 GLU A 119 -14.020 8.606 17.661 1.00 0.89 H new ATOM 0 HG2 GLU A 119 -14.213 10.979 18.365 1.00 1.11 H new ATOM 0 HG3 GLU A 119 -15.457 11.236 17.158 1.00 1.11 H new ATOM 1818 N GLU A 120 -13.051 7.946 14.417 1.00 0.77 N ATOM 1819 CA GLU A 120 -12.366 6.816 13.806 1.00 0.80 C ATOM 1820 C GLU A 120 -10.981 7.240 13.394 1.00 0.80 C ATOM 1821 O GLU A 120 -9.988 6.571 13.693 1.00 0.81 O ATOM 1822 CB GLU A 120 -13.109 6.385 12.547 1.00 0.97 C ATOM 1823 CG GLU A 120 -14.519 5.857 12.781 1.00 1.21 C ATOM 1824 CD GLU A 120 -15.042 5.052 11.607 1.00 1.52 C ATOM 1825 OE1 GLU A 120 -14.931 3.809 11.644 1.00 2.13 O ATOM 1826 OE2 GLU A 120 -15.562 5.664 10.651 1.00 1.93 O ATOM 0 H GLU A 120 -13.919 8.204 13.947 1.00 0.77 H new ATOM 0 HA GLU A 120 -12.326 5.997 14.524 1.00 0.80 H new ATOM 0 HB2 GLU A 120 -13.164 7.235 11.867 1.00 0.97 H new ATOM 0 HB3 GLU A 120 -12.526 5.612 12.046 1.00 0.97 H new ATOM 0 HG2 GLU A 120 -14.526 5.234 13.676 1.00 1.21 H new ATOM 0 HG3 GLU A 120 -15.190 6.695 12.970 1.00 1.21 H new ATOM 1833 N VAL A 121 -10.946 8.380 12.704 1.00 0.84 N ATOM 1834 CA VAL A 121 -9.716 8.948 12.246 1.00 0.92 C ATOM 1835 C VAL A 121 -9.003 9.708 13.342 1.00 0.88 C ATOM 1836 O VAL A 121 -7.824 9.938 13.220 1.00 0.93 O ATOM 1837 CB VAL A 121 -9.851 9.847 11.002 1.00 1.19 C ATOM 1838 CG1 VAL A 121 -10.070 9.025 9.745 1.00 0.82 C ATOM 1839 CG2 VAL A 121 -10.894 10.941 11.186 1.00 2.24 C ATOM 0 H VAL A 121 -11.775 8.920 12.457 1.00 0.84 H new ATOM 0 HA VAL A 121 -9.120 8.085 11.949 1.00 0.92 H new ATOM 0 HB VAL A 121 -8.902 10.367 10.874 1.00 1.19 H new ATOM 0 HG11 VAL A 121 -10.161 9.690 8.886 1.00 0.82 H new ATOM 0 HG12 VAL A 121 -9.223 8.355 9.596 1.00 0.82 H new ATOM 0 HG13 VAL A 121 -10.983 8.439 9.848 1.00 0.82 H new ATOM 0 HG21 VAL A 121 -10.950 11.546 10.281 1.00 2.24 H new ATOM 0 HG22 VAL A 121 -11.866 10.488 11.380 1.00 2.24 H new ATOM 0 HG23 VAL A 121 -10.614 11.573 12.029 1.00 2.24 H new ATOM 1849 N ASP A 122 -9.711 10.103 14.416 1.00 0.86 N ATOM 1850 CA ASP A 122 -9.050 10.812 15.520 1.00 0.95 C ATOM 1851 C ASP A 122 -8.051 9.872 16.183 1.00 0.84 C ATOM 1852 O ASP A 122 -7.052 10.300 16.767 1.00 0.89 O ATOM 1853 CB ASP A 122 -10.068 11.347 16.536 1.00 1.08 C ATOM 1854 CG ASP A 122 -9.500 12.442 17.425 1.00 1.26 C ATOM 1855 OD1 ASP A 122 -8.958 12.112 18.501 1.00 1.76 O ATOM 1856 OD2 ASP A 122 -9.597 13.627 17.043 1.00 1.76 O ATOM 0 H ASP A 122 -10.712 9.948 14.540 1.00 0.86 H new ATOM 0 HA ASP A 122 -8.522 11.678 15.121 1.00 0.95 H new ATOM 0 HB2 ASP A 122 -10.937 11.733 16.003 1.00 1.08 H new ATOM 0 HB3 ASP A 122 -10.417 10.524 17.160 1.00 1.08 H new ATOM 1861 N GLU A 123 -8.363 8.584 16.070 1.00 0.75 N ATOM 1862 CA GLU A 123 -7.527 7.519 16.562 1.00 0.73 C ATOM 1863 C GLU A 123 -6.514 7.127 15.499 1.00 0.65 C ATOM 1864 O GLU A 123 -5.333 6.968 15.801 1.00 0.65 O ATOM 1865 CB GLU A 123 -8.381 6.317 16.988 1.00 0.78 C ATOM 1866 CG GLU A 123 -8.962 6.450 18.387 1.00 0.92 C ATOM 1867 CD GLU A 123 -9.805 5.254 18.784 1.00 1.13 C ATOM 1868 OE1 GLU A 123 -11.024 5.271 18.514 1.00 1.43 O ATOM 1869 OE2 GLU A 123 -9.245 4.300 19.364 1.00 1.87 O ATOM 0 H GLU A 123 -9.220 8.257 15.625 1.00 0.75 H new ATOM 0 HA GLU A 123 -6.985 7.867 17.442 1.00 0.73 H new ATOM 0 HB2 GLU A 123 -9.196 6.190 16.275 1.00 0.78 H new ATOM 0 HB3 GLU A 123 -7.772 5.414 16.940 1.00 0.78 H new ATOM 0 HG2 GLU A 123 -8.150 6.571 19.104 1.00 0.92 H new ATOM 0 HG3 GLU A 123 -9.571 7.353 18.439 1.00 0.92 H new ATOM 1876 N MET A 124 -6.982 6.994 14.245 1.00 0.63 N ATOM 1877 CA MET A 124 -6.096 6.673 13.118 1.00 0.64 C ATOM 1878 C MET A 124 -5.216 7.879 12.821 1.00 0.64 C ATOM 1879 O MET A 124 -4.148 7.752 12.214 1.00 0.67 O ATOM 1880 CB MET A 124 -6.868 6.261 11.854 1.00 0.70 C ATOM 1881 CG MET A 124 -7.864 5.125 12.058 1.00 1.18 C ATOM 1882 SD MET A 124 -7.075 3.587 12.570 1.00 2.12 S ATOM 1883 CE MET A 124 -8.497 2.509 12.718 1.00 2.40 C ATOM 0 H MET A 124 -7.964 7.104 13.990 1.00 0.63 H new ATOM 0 HA MET A 124 -5.488 5.816 13.407 1.00 0.64 H new ATOM 0 HB2 MET A 124 -7.403 7.131 11.472 1.00 0.70 H new ATOM 0 HB3 MET A 124 -6.152 5.965 11.088 1.00 0.70 H new ATOM 0 HG2 MET A 124 -8.596 5.420 12.810 1.00 1.18 H new ATOM 0 HG3 MET A 124 -8.411 4.956 11.130 1.00 1.18 H new ATOM 0 HE1 MET A 124 -8.170 1.517 13.029 1.00 2.40 H new ATOM 0 HE2 MET A 124 -9.185 2.914 13.460 1.00 2.40 H new ATOM 0 HE3 MET A 124 -9.003 2.439 11.755 1.00 2.40 H new ATOM 1893 N ILE A 125 -5.695 9.053 13.263 1.00 0.65 N ATOM 1894 CA ILE A 125 -4.978 10.301 13.109 1.00 0.70 C ATOM 1895 C ILE A 125 -3.922 10.394 14.218 1.00 0.66 C ATOM 1896 O ILE A 125 -2.813 10.890 13.995 1.00 0.68 O ATOM 1897 CB ILE A 125 -5.945 11.531 13.199 1.00 0.82 C ATOM 1898 CG1 ILE A 125 -5.637 12.567 12.110 1.00 0.94 C ATOM 1899 CG2 ILE A 125 -5.889 12.186 14.576 1.00 0.84 C ATOM 1900 CD1 ILE A 125 -6.443 12.381 10.839 1.00 0.70 C ATOM 0 H ILE A 125 -6.593 9.149 13.736 1.00 0.65 H new ATOM 0 HA ILE A 125 -4.508 10.320 12.126 1.00 0.70 H new ATOM 0 HB ILE A 125 -6.955 11.153 13.039 1.00 0.82 H new ATOM 0 HG12 ILE A 125 -5.828 13.564 12.507 1.00 0.94 H new ATOM 0 HG13 ILE A 125 -4.576 12.519 11.866 1.00 0.94 H new ATOM 0 HG21 ILE A 125 -6.572 13.035 14.603 1.00 0.84 H new ATOM 0 HG22 ILE A 125 -6.181 11.461 15.336 1.00 0.84 H new ATOM 0 HG23 ILE A 125 -4.874 12.530 14.774 1.00 0.84 H new ATOM 0 HD11 ILE A 125 -6.169 13.151 10.118 1.00 0.70 H new ATOM 0 HD12 ILE A 125 -6.235 11.398 10.417 1.00 0.70 H new ATOM 0 HD13 ILE A 125 -7.506 12.460 11.067 1.00 0.70 H new ATOM 1912 N ARG A 126 -4.300 9.899 15.427 1.00 0.65 N ATOM 1913 CA ARG A 126 -3.418 9.952 16.583 1.00 0.68 C ATOM 1914 C ARG A 126 -2.468 8.786 16.667 1.00 0.64 C ATOM 1915 O ARG A 126 -1.515 8.785 17.452 1.00 0.69 O ATOM 1916 CB ARG A 126 -4.202 10.137 17.890 1.00 0.76 C ATOM 1917 CG ARG A 126 -3.860 11.414 18.654 1.00 1.02 C ATOM 1918 CD ARG A 126 -4.642 12.617 18.138 1.00 1.07 C ATOM 1919 NE ARG A 126 -4.329 13.839 18.887 1.00 1.63 N ATOM 1920 CZ ARG A 126 -4.815 15.056 18.600 1.00 1.79 C ATOM 1921 NH1 ARG A 126 -5.646 15.243 17.576 1.00 1.36 N ATOM 1922 NH2 ARG A 126 -4.463 16.094 19.347 1.00 2.58 N ATOM 0 H ARG A 126 -5.206 9.466 15.607 1.00 0.65 H new ATOM 0 HA ARG A 126 -2.796 10.835 16.439 1.00 0.68 H new ATOM 0 HB2 ARG A 126 -5.268 10.138 17.663 1.00 0.76 H new ATOM 0 HB3 ARG A 126 -4.015 9.280 18.537 1.00 0.76 H new ATOM 0 HG2 ARG A 126 -4.073 11.271 19.713 1.00 1.02 H new ATOM 0 HG3 ARG A 126 -2.792 11.612 18.568 1.00 1.02 H new ATOM 0 HD2 ARG A 126 -4.416 12.771 17.083 1.00 1.07 H new ATOM 0 HD3 ARG A 126 -5.710 12.412 18.209 1.00 1.07 H new ATOM 0 HE ARG A 126 -3.697 13.757 19.683 1.00 1.63 H new ATOM 0 HH11 ARG A 126 -5.924 14.453 16.994 1.00 1.36 H new ATOM 0 HH12 ARG A 126 -6.005 16.176 17.374 1.00 1.36 H new ATOM 0 HH21 ARG A 126 -3.827 15.964 20.134 1.00 2.58 H new ATOM 0 HH22 ARG A 126 -4.828 17.022 19.135 1.00 2.58 H new ATOM 1936 N GLU A 127 -2.748 7.812 15.846 1.00 0.59 N ATOM 1937 CA GLU A 127 -1.923 6.614 15.727 1.00 0.59 C ATOM 1938 C GLU A 127 -0.685 6.945 14.892 1.00 0.59 C ATOM 1939 O GLU A 127 0.199 6.103 14.699 1.00 0.63 O ATOM 1940 CB GLU A 127 -2.708 5.475 15.075 1.00 0.61 C ATOM 1941 CG GLU A 127 -3.542 4.662 16.055 1.00 0.66 C ATOM 1942 CD GLU A 127 -4.150 3.428 15.419 1.00 1.28 C ATOM 1943 OE1 GLU A 127 -5.250 3.539 14.838 1.00 1.91 O ATOM 1944 OE2 GLU A 127 -3.526 2.349 15.502 1.00 2.06 O ATOM 0 H GLU A 127 -3.560 7.815 15.229 1.00 0.59 H new ATOM 0 HA GLU A 127 -1.622 6.287 16.722 1.00 0.59 H new ATOM 0 HB2 GLU A 127 -3.365 5.890 14.311 1.00 0.61 H new ATOM 0 HB3 GLU A 127 -2.010 4.809 14.567 1.00 0.61 H new ATOM 0 HG2 GLU A 127 -2.917 4.362 16.896 1.00 0.66 H new ATOM 0 HG3 GLU A 127 -4.338 5.289 16.456 1.00 0.66 H new ATOM 1951 N ALA A 128 -0.640 8.206 14.411 1.00 0.59 N ATOM 1952 CA ALA A 128 0.455 8.675 13.558 1.00 0.64 C ATOM 1953 C ALA A 128 0.852 10.138 13.824 1.00 0.63 C ATOM 1954 O ALA A 128 1.646 10.707 13.063 1.00 0.65 O ATOM 1955 CB ALA A 128 0.063 8.496 12.096 1.00 0.72 C ATOM 0 H ALA A 128 -1.352 8.911 14.603 1.00 0.59 H new ATOM 0 HA ALA A 128 1.331 8.073 13.798 1.00 0.64 H new ATOM 0 HB1 ALA A 128 0.874 8.844 11.457 1.00 0.72 H new ATOM 0 HB2 ALA A 128 -0.129 7.442 11.897 1.00 0.72 H new ATOM 0 HB3 ALA A 128 -0.837 9.075 11.887 1.00 0.72 H new ATOM 1961 N ALA A 129 0.329 10.752 14.906 1.00 0.67 N ATOM 1962 CA ALA A 129 0.663 12.153 15.231 1.00 0.72 C ATOM 1963 C ALA A 129 2.153 12.317 15.545 1.00 0.77 C ATOM 1964 O ALA A 129 2.647 11.831 16.570 1.00 0.86 O ATOM 1965 CB ALA A 129 -0.181 12.668 16.394 1.00 0.83 C ATOM 0 H ALA A 129 -0.316 10.308 15.559 1.00 0.67 H new ATOM 0 HA ALA A 129 0.434 12.749 14.348 1.00 0.72 H new ATOM 0 HB1 ALA A 129 0.088 13.702 16.609 1.00 0.83 H new ATOM 0 HB2 ALA A 129 -1.237 12.616 16.128 1.00 0.83 H new ATOM 0 HB3 ALA A 129 0.002 12.054 17.276 1.00 0.83 H new ATOM 1971 N ILE A 130 2.856 12.995 14.635 1.00 0.77 N ATOM 1972 CA ILE A 130 4.287 13.248 14.779 1.00 0.87 C ATOM 1973 C ILE A 130 4.540 14.714 15.062 1.00 1.01 C ATOM 1974 O ILE A 130 3.922 15.596 14.461 1.00 1.27 O ATOM 1975 CB ILE A 130 5.110 12.750 13.546 1.00 0.91 C ATOM 1976 CG1 ILE A 130 6.453 13.490 13.372 1.00 1.07 C ATOM 1977 CG2 ILE A 130 4.297 12.829 12.253 1.00 1.28 C ATOM 1978 CD1 ILE A 130 7.630 12.564 13.141 1.00 1.57 C ATOM 0 H ILE A 130 2.450 13.381 13.783 1.00 0.77 H new ATOM 0 HA ILE A 130 4.636 12.667 15.633 1.00 0.87 H new ATOM 0 HB ILE A 130 5.341 11.705 13.755 1.00 0.91 H new ATOM 0 HG12 ILE A 130 6.373 14.179 12.531 1.00 1.07 H new ATOM 0 HG13 ILE A 130 6.644 14.092 14.260 1.00 1.07 H new ATOM 0 HG21 ILE A 130 4.904 12.474 11.420 1.00 1.28 H new ATOM 0 HG22 ILE A 130 3.407 12.207 12.344 1.00 1.28 H new ATOM 0 HG23 ILE A 130 4.001 13.862 12.072 1.00 1.28 H new ATOM 0 HD11 ILE A 130 8.540 13.153 13.027 1.00 1.57 H new ATOM 0 HD12 ILE A 130 7.737 11.892 13.993 1.00 1.57 H new ATOM 0 HD13 ILE A 130 7.461 11.980 12.237 1.00 1.57 H new ATOM 1990 N ASP A 131 5.510 14.937 15.959 1.00 1.22 N ATOM 1991 CA ASP A 131 5.929 16.280 16.441 1.00 1.45 C ATOM 1992 C ASP A 131 4.782 17.077 17.095 1.00 1.44 C ATOM 1993 O ASP A 131 4.999 17.834 18.046 1.00 1.64 O ATOM 1994 CB ASP A 131 6.554 17.076 15.292 1.00 1.64 C ATOM 1995 CG ASP A 131 7.549 18.124 15.763 1.00 2.27 C ATOM 1996 OD1 ASP A 131 8.748 17.794 15.879 1.00 2.70 O ATOM 1997 OD2 ASP A 131 7.128 19.273 16.013 1.00 2.90 O ATOM 0 H ASP A 131 6.043 14.179 16.385 1.00 1.22 H new ATOM 0 HA ASP A 131 6.671 16.119 17.223 1.00 1.45 H new ATOM 0 HB2 ASP A 131 7.056 16.387 14.612 1.00 1.64 H new ATOM 0 HB3 ASP A 131 5.762 17.565 14.724 1.00 1.64 H new ATOM 2002 N GLY A 132 3.585 16.882 16.564 1.00 1.31 N ATOM 2003 CA GLY A 132 2.386 17.552 17.044 1.00 1.35 C ATOM 2004 C GLY A 132 1.636 18.258 15.925 1.00 1.46 C ATOM 2005 O GLY A 132 0.455 18.585 16.077 1.00 1.75 O ATOM 0 H GLY A 132 3.417 16.249 15.782 1.00 1.31 H new ATOM 0 HA2 GLY A 132 1.728 16.822 17.516 1.00 1.35 H new ATOM 0 HA3 GLY A 132 2.659 18.277 17.810 1.00 1.35 H new ATOM 2009 N ASP A 133 2.331 18.493 14.796 1.00 1.34 N ATOM 2010 CA ASP A 133 1.738 19.143 13.620 1.00 1.49 C ATOM 2011 C ASP A 133 1.003 18.108 12.762 1.00 1.37 C ATOM 2012 O ASP A 133 -0.147 18.325 12.368 1.00 1.69 O ATOM 2013 CB ASP A 133 2.815 19.859 12.793 1.00 1.52 C ATOM 2014 CG ASP A 133 3.375 21.081 13.496 1.00 1.94 C ATOM 2015 OD1 ASP A 133 4.365 20.935 14.243 1.00 2.14 O ATOM 2016 OD2 ASP A 133 2.823 22.184 13.300 1.00 2.60 O ATOM 0 H ASP A 133 3.312 18.239 14.677 1.00 1.34 H new ATOM 0 HA ASP A 133 1.021 19.890 13.961 1.00 1.49 H new ATOM 0 HB2 ASP A 133 3.627 19.163 12.580 1.00 1.52 H new ATOM 0 HB3 ASP A 133 2.392 20.158 11.834 1.00 1.52 H new ATOM 2021 N GLY A 134 1.684 16.987 12.481 1.00 1.04 N ATOM 2022 CA GLY A 134 1.085 15.907 11.714 1.00 1.15 C ATOM 2023 C GLY A 134 1.562 15.790 10.275 1.00 1.03 C ATOM 2024 O GLY A 134 1.301 14.766 9.642 1.00 1.25 O ATOM 0 H GLY A 134 2.645 16.814 12.776 1.00 1.04 H new ATOM 0 HA2 GLY A 134 1.287 14.965 12.224 1.00 1.15 H new ATOM 0 HA3 GLY A 134 0.003 16.042 11.711 1.00 1.15 H new ATOM 2028 N GLN A 135 2.266 16.806 9.745 1.00 0.84 N ATOM 2029 CA GLN A 135 2.739 16.743 8.351 1.00 0.77 C ATOM 2030 C GLN A 135 4.143 16.169 8.266 1.00 0.74 C ATOM 2031 O GLN A 135 5.001 16.490 9.095 1.00 0.80 O ATOM 2032 CB GLN A 135 2.666 18.092 7.616 1.00 0.80 C ATOM 2033 CG GLN A 135 1.675 19.099 8.195 1.00 1.03 C ATOM 2034 CD GLN A 135 1.638 20.396 7.412 1.00 1.40 C ATOM 2035 OE1 GLN A 135 2.386 21.331 7.700 1.00 2.05 O ATOM 2036 NE2 GLN A 135 0.763 20.460 6.415 1.00 1.98 N ATOM 0 H GLN A 135 2.515 17.659 10.245 1.00 0.84 H new ATOM 0 HA GLN A 135 2.050 16.071 7.840 1.00 0.77 H new ATOM 0 HB2 GLN A 135 3.659 18.542 7.618 1.00 0.80 H new ATOM 0 HB3 GLN A 135 2.403 17.906 6.575 1.00 0.80 H new ATOM 0 HG2 GLN A 135 0.679 18.657 8.206 1.00 1.03 H new ATOM 0 HG3 GLN A 135 1.941 19.311 9.230 1.00 1.03 H new ATOM 0 HE21 GLN A 135 0.163 19.661 6.211 1.00 1.98 H new ATOM 0 HE22 GLN A 135 0.691 21.308 5.853 1.00 1.98 H new ATOM 2045 N VAL A 136 4.372 15.314 7.253 1.00 0.69 N ATOM 2046 CA VAL A 136 5.690 14.663 7.086 1.00 0.68 C ATOM 2047 C VAL A 136 6.067 14.410 5.623 1.00 0.64 C ATOM 2048 O VAL A 136 5.244 13.964 4.821 1.00 0.67 O ATOM 2049 CB VAL A 136 5.798 13.319 7.867 1.00 0.75 C ATOM 2050 CG1 VAL A 136 6.185 13.573 9.315 1.00 0.91 C ATOM 2051 CG2 VAL A 136 4.503 12.508 7.799 1.00 0.88 C ATOM 0 H VAL A 136 3.679 15.059 6.549 1.00 0.69 H new ATOM 0 HA VAL A 136 6.394 15.382 7.503 1.00 0.68 H new ATOM 0 HB VAL A 136 6.579 12.729 7.387 1.00 0.75 H new ATOM 0 HG11 VAL A 136 6.256 12.623 9.845 1.00 0.91 H new ATOM 0 HG12 VAL A 136 7.149 14.081 9.350 1.00 0.91 H new ATOM 0 HG13 VAL A 136 5.428 14.198 9.790 1.00 0.91 H new ATOM 0 HG21 VAL A 136 4.625 11.580 8.357 1.00 0.88 H new ATOM 0 HG22 VAL A 136 3.688 13.087 8.232 1.00 0.88 H new ATOM 0 HG23 VAL A 136 4.272 12.278 6.759 1.00 0.88 H new ATOM 2061 N ASN A 137 7.333 14.709 5.305 1.00 0.63 N ATOM 2062 CA ASN A 137 7.889 14.524 3.971 1.00 0.62 C ATOM 2063 C ASN A 137 8.621 13.186 3.802 1.00 0.59 C ATOM 2064 O ASN A 137 8.531 12.286 4.641 1.00 0.59 O ATOM 2065 CB ASN A 137 8.849 15.686 3.661 1.00 0.66 C ATOM 2066 CG ASN A 137 9.819 16.014 4.792 1.00 0.80 C ATOM 2067 OD1 ASN A 137 9.522 16.833 5.662 1.00 1.18 O ATOM 2068 ND2 ASN A 137 10.982 15.373 4.779 1.00 1.45 N ATOM 0 H ASN A 137 8.000 15.089 5.976 1.00 0.63 H new ATOM 0 HA ASN A 137 7.054 14.512 3.270 1.00 0.62 H new ATOM 0 HB2 ASN A 137 9.421 15.441 2.766 1.00 0.66 H new ATOM 0 HB3 ASN A 137 8.263 16.576 3.431 1.00 0.66 H new ATOM 0 HD21 ASN A 137 11.671 15.552 5.510 1.00 1.45 H new ATOM 0 HD22 ASN A 137 11.186 14.702 4.038 1.00 1.45 H new ATOM 2075 N TYR A 138 9.348 13.107 2.680 1.00 0.62 N ATOM 2076 CA TYR A 138 10.163 11.966 2.257 1.00 0.66 C ATOM 2077 C TYR A 138 11.117 11.431 3.349 1.00 0.61 C ATOM 2078 O TYR A 138 11.592 10.303 3.241 1.00 0.67 O ATOM 2079 CB TYR A 138 10.927 12.420 1.008 1.00 0.75 C ATOM 2080 CG TYR A 138 11.780 11.357 0.336 1.00 1.21 C ATOM 2081 CD1 TYR A 138 11.261 10.531 -0.652 1.00 1.93 C ATOM 2082 CD2 TYR A 138 13.112 11.188 0.698 1.00 2.03 C ATOM 2083 CE1 TYR A 138 12.046 9.567 -1.258 1.00 2.59 C ATOM 2084 CE2 TYR A 138 13.901 10.228 0.096 1.00 2.76 C ATOM 2085 CZ TYR A 138 13.364 9.421 -0.881 1.00 2.81 C ATOM 2086 OH TYR A 138 14.146 8.463 -1.483 1.00 3.66 O ATOM 0 H TYR A 138 9.384 13.876 2.011 1.00 0.62 H new ATOM 0 HA TYR A 138 9.512 11.117 2.047 1.00 0.66 H new ATOM 0 HB2 TYR A 138 10.207 12.796 0.281 1.00 0.75 H new ATOM 0 HB3 TYR A 138 11.570 13.257 1.282 1.00 0.75 H new ATOM 0 HD1 TYR A 138 10.229 10.643 -0.952 1.00 1.93 H new ATOM 0 HD2 TYR A 138 13.537 11.819 1.464 1.00 2.03 H new ATOM 0 HE1 TYR A 138 11.628 8.931 -2.024 1.00 2.59 H new ATOM 0 HE2 TYR A 138 14.934 10.111 0.390 1.00 2.76 H new ATOM 0 HH TYR A 138 15.049 8.492 -1.104 1.00 3.66 H new ATOM 2096 N GLU A 139 11.415 12.240 4.374 1.00 0.57 N ATOM 2097 CA GLU A 139 12.315 11.812 5.456 1.00 0.60 C ATOM 2098 C GLU A 139 11.674 10.719 6.335 1.00 0.54 C ATOM 2099 O GLU A 139 12.206 9.609 6.427 1.00 0.57 O ATOM 2100 CB GLU A 139 12.736 13.015 6.315 1.00 0.68 C ATOM 2101 CG GLU A 139 13.727 13.944 5.630 1.00 0.89 C ATOM 2102 CD GLU A 139 14.122 15.120 6.501 1.00 1.36 C ATOM 2103 OE1 GLU A 139 15.124 15.002 7.238 1.00 2.24 O ATOM 2104 OE2 GLU A 139 13.431 16.158 6.447 1.00 1.61 O ATOM 0 H GLU A 139 11.050 13.187 4.478 1.00 0.57 H new ATOM 0 HA GLU A 139 13.203 11.382 4.993 1.00 0.60 H new ATOM 0 HB2 GLU A 139 11.847 13.584 6.586 1.00 0.68 H new ATOM 0 HB3 GLU A 139 13.176 12.650 7.243 1.00 0.68 H new ATOM 0 HG2 GLU A 139 14.620 13.381 5.360 1.00 0.89 H new ATOM 0 HG3 GLU A 139 13.291 14.314 4.702 1.00 0.89 H new ATOM 2111 N GLU A 140 10.538 11.043 6.972 1.00 0.51 N ATOM 2112 CA GLU A 140 9.823 10.096 7.843 1.00 0.52 C ATOM 2113 C GLU A 140 8.765 9.286 7.097 1.00 0.47 C ATOM 2114 O GLU A 140 8.586 8.097 7.379 1.00 0.49 O ATOM 2115 CB GLU A 140 9.176 10.836 9.021 1.00 0.59 C ATOM 2116 CG GLU A 140 10.166 11.320 10.078 1.00 1.02 C ATOM 2117 CD GLU A 140 10.609 10.218 11.026 1.00 1.31 C ATOM 2118 OE1 GLU A 140 11.609 9.536 10.718 1.00 1.91 O ATOM 2119 OE2 GLU A 140 9.955 10.039 12.075 1.00 2.02 O ATOM 0 H GLU A 140 10.093 11.958 6.900 1.00 0.51 H new ATOM 0 HA GLU A 140 10.568 9.391 8.213 1.00 0.52 H new ATOM 0 HB2 GLU A 140 8.624 11.694 8.637 1.00 0.59 H new ATOM 0 HB3 GLU A 140 8.450 10.176 9.495 1.00 0.59 H new ATOM 0 HG2 GLU A 140 11.042 11.739 9.583 1.00 1.02 H new ATOM 0 HG3 GLU A 140 9.710 12.125 10.654 1.00 1.02 H new ATOM 2126 N PHE A 141 8.066 9.928 6.147 1.00 0.45 N ATOM 2127 CA PHE A 141 7.000 9.265 5.376 1.00 0.43 C ATOM 2128 C PHE A 141 7.543 8.161 4.447 1.00 0.41 C ATOM 2129 O PHE A 141 6.763 7.386 3.884 1.00 0.44 O ATOM 2130 CB PHE A 141 6.192 10.303 4.584 1.00 0.45 C ATOM 2131 CG PHE A 141 4.782 9.868 4.265 1.00 0.69 C ATOM 2132 CD1 PHE A 141 3.791 9.891 5.238 1.00 1.33 C ATOM 2133 CD2 PHE A 141 4.450 9.438 2.991 1.00 1.55 C ATOM 2134 CE1 PHE A 141 2.502 9.494 4.944 1.00 1.59 C ATOM 2135 CE2 PHE A 141 3.161 9.039 2.692 1.00 1.88 C ATOM 2136 CZ PHE A 141 2.186 9.066 3.671 1.00 1.54 C ATOM 0 H PHE A 141 8.219 10.904 5.894 1.00 0.45 H new ATOM 0 HA PHE A 141 6.340 8.773 6.090 1.00 0.43 H new ATOM 0 HB2 PHE A 141 6.155 11.232 5.154 1.00 0.45 H new ATOM 0 HB3 PHE A 141 6.714 10.521 3.652 1.00 0.45 H new ATOM 0 HD1 PHE A 141 4.032 10.224 6.237 1.00 1.33 H new ATOM 0 HD2 PHE A 141 5.208 9.414 2.222 1.00 1.55 H new ATOM 0 HE1 PHE A 141 1.741 9.518 5.710 1.00 1.59 H new ATOM 0 HE2 PHE A 141 2.916 8.706 1.694 1.00 1.88 H new ATOM 0 HZ PHE A 141 1.179 8.753 3.440 1.00 1.54 H new ATOM 2146 N VAL A 142 8.877 8.099 4.296 1.00 0.42 N ATOM 2147 CA VAL A 142 9.527 7.065 3.483 1.00 0.44 C ATOM 2148 C VAL A 142 9.686 5.794 4.291 1.00 0.46 C ATOM 2149 O VAL A 142 9.604 4.703 3.740 1.00 0.48 O ATOM 2150 CB VAL A 142 10.904 7.523 2.951 1.00 0.48 C ATOM 2151 CG1 VAL A 142 11.981 6.441 3.081 1.00 0.53 C ATOM 2152 CG2 VAL A 142 10.785 7.979 1.503 1.00 0.50 C ATOM 0 H VAL A 142 9.525 8.757 4.729 1.00 0.42 H new ATOM 0 HA VAL A 142 8.886 6.877 2.621 1.00 0.44 H new ATOM 0 HB VAL A 142 11.221 8.360 3.573 1.00 0.48 H new ATOM 0 HG11 VAL A 142 12.926 6.820 2.691 1.00 0.53 H new ATOM 0 HG12 VAL A 142 12.102 6.173 4.130 1.00 0.53 H new ATOM 0 HG13 VAL A 142 11.682 5.560 2.514 1.00 0.53 H new ATOM 0 HG21 VAL A 142 11.762 8.299 1.141 1.00 0.50 H new ATOM 0 HG22 VAL A 142 10.423 7.153 0.890 1.00 0.50 H new ATOM 0 HG23 VAL A 142 10.084 8.812 1.440 1.00 0.50 H new ATOM 2162 N GLN A 143 9.941 5.950 5.600 1.00 0.49 N ATOM 2163 CA GLN A 143 10.098 4.813 6.499 1.00 0.54 C ATOM 2164 C GLN A 143 8.841 3.941 6.483 1.00 0.52 C ATOM 2165 O GLN A 143 8.918 2.718 6.631 1.00 0.57 O ATOM 2166 CB GLN A 143 10.403 5.311 7.907 1.00 0.59 C ATOM 2167 CG GLN A 143 11.305 4.387 8.713 1.00 0.64 C ATOM 2168 CD GLN A 143 11.542 4.891 10.124 1.00 0.89 C ATOM 2169 OE1 GLN A 143 12.487 5.637 10.378 1.00 1.62 O ATOM 2170 NE2 GLN A 143 10.683 4.482 11.050 1.00 1.55 N ATOM 0 H GLN A 143 10.042 6.858 6.053 1.00 0.49 H new ATOM 0 HA GLN A 143 10.932 4.199 6.160 1.00 0.54 H new ATOM 0 HB2 GLN A 143 10.874 6.292 7.840 1.00 0.59 H new ATOM 0 HB3 GLN A 143 9.464 5.444 8.445 1.00 0.59 H new ATOM 0 HG2 GLN A 143 10.857 3.394 8.756 1.00 0.64 H new ATOM 0 HG3 GLN A 143 12.262 4.283 8.202 1.00 0.64 H new ATOM 0 HE21 GLN A 143 9.914 3.863 10.794 1.00 1.55 H new ATOM 0 HE22 GLN A 143 10.792 4.787 12.017 1.00 1.55 H new ATOM 2179 N MET A 144 7.684 4.600 6.301 1.00 0.49 N ATOM 2180 CA MET A 144 6.404 3.921 6.166 1.00 0.49 C ATOM 2181 C MET A 144 6.394 3.182 4.822 1.00 0.51 C ATOM 2182 O MET A 144 5.685 2.187 4.647 1.00 0.58 O ATOM 2183 CB MET A 144 5.247 4.942 6.233 1.00 0.52 C ATOM 2184 CG MET A 144 3.840 4.338 6.103 1.00 0.93 C ATOM 2185 SD MET A 144 2.693 4.951 7.356 1.00 2.33 S ATOM 2186 CE MET A 144 2.273 6.564 6.696 1.00 3.20 C ATOM 0 H MET A 144 7.620 5.616 6.245 1.00 0.49 H new ATOM 0 HA MET A 144 6.268 3.210 6.981 1.00 0.49 H new ATOM 0 HB2 MET A 144 5.310 5.478 7.180 1.00 0.52 H new ATOM 0 HB3 MET A 144 5.385 5.678 5.440 1.00 0.52 H new ATOM 0 HG2 MET A 144 3.443 4.564 5.113 1.00 0.93 H new ATOM 0 HG3 MET A 144 3.908 3.253 6.179 1.00 0.93 H new ATOM 0 HE1 MET A 144 1.795 7.162 7.472 1.00 3.20 H new ATOM 0 HE2 MET A 144 3.179 7.066 6.358 1.00 3.20 H new ATOM 0 HE3 MET A 144 1.589 6.446 5.856 1.00 3.20 H new ATOM 2196 N MET A 145 7.204 3.703 3.884 1.00 0.49 N ATOM 2197 CA MET A 145 7.325 3.133 2.549 1.00 0.56 C ATOM 2198 C MET A 145 8.452 2.088 2.466 1.00 0.62 C ATOM 2199 O MET A 145 8.369 1.164 1.652 1.00 0.75 O ATOM 2200 CB MET A 145 7.552 4.243 1.508 1.00 0.58 C ATOM 2201 CG MET A 145 6.533 5.381 1.561 1.00 1.52 C ATOM 2202 SD MET A 145 6.416 6.283 0.005 1.00 2.50 S ATOM 2203 CE MET A 145 5.024 7.356 0.347 1.00 3.22 C ATOM 0 H MET A 145 7.786 4.526 4.038 1.00 0.49 H new ATOM 0 HA MET A 145 6.387 2.622 2.330 1.00 0.56 H new ATOM 0 HB2 MET A 145 8.549 4.659 1.651 1.00 0.58 H new ATOM 0 HB3 MET A 145 7.531 3.800 0.512 1.00 0.58 H new ATOM 0 HG2 MET A 145 5.554 4.975 1.815 1.00 1.52 H new ATOM 0 HG3 MET A 145 6.808 6.073 2.357 1.00 1.52 H new ATOM 0 HE1 MET A 145 4.228 7.159 -0.370 1.00 3.22 H new ATOM 0 HE2 MET A 145 4.658 7.167 1.356 1.00 3.22 H new ATOM 0 HE3 MET A 145 5.338 8.397 0.264 1.00 3.22 H new ATOM 2213 N THR A 146 9.504 2.231 3.306 1.00 0.59 N ATOM 2214 CA THR A 146 10.630 1.302 3.300 1.00 0.68 C ATOM 2215 C THR A 146 10.387 0.080 4.189 1.00 0.78 C ATOM 2216 O THR A 146 10.947 -0.992 3.942 1.00 0.89 O ATOM 2217 CB THR A 146 11.935 1.983 3.762 1.00 0.69 C ATOM 2218 OG1 THR A 146 11.661 3.230 4.412 1.00 0.63 O ATOM 2219 CG2 THR A 146 12.883 2.213 2.591 1.00 0.71 C ATOM 0 H THR A 146 9.585 2.983 3.990 1.00 0.59 H new ATOM 0 HA THR A 146 10.729 0.975 2.265 1.00 0.68 H new ATOM 0 HB THR A 146 12.416 1.311 4.473 1.00 0.69 H new ATOM 0 HG1 THR A 146 11.131 3.800 3.816 1.00 0.63 H new ATOM 0 HG21 THR A 146 13.793 2.694 2.949 1.00 0.71 H new ATOM 0 HG22 THR A 146 13.134 1.256 2.133 1.00 0.71 H new ATOM 0 HG23 THR A 146 12.400 2.853 1.852 1.00 0.71 H new ATOM 2227 N ALA A 147 9.549 0.254 5.218 1.00 0.77 N ATOM 2228 CA ALA A 147 9.211 -0.814 6.149 1.00 0.88 C ATOM 2229 C ALA A 147 8.069 -1.684 5.623 1.00 0.94 C ATOM 2230 O ALA A 147 7.023 -1.168 5.219 1.00 0.91 O ATOM 2231 CB ALA A 147 8.851 -0.233 7.509 1.00 0.90 C ATOM 0 H ALA A 147 9.090 1.141 5.423 1.00 0.77 H new ATOM 0 HA ALA A 147 10.089 -1.452 6.254 1.00 0.88 H new ATOM 0 HB1 ALA A 147 8.600 -1.042 8.195 1.00 0.90 H new ATOM 0 HB2 ALA A 147 9.700 0.326 7.902 1.00 0.90 H new ATOM 0 HB3 ALA A 147 7.994 0.433 7.405 1.00 0.90 H new ATOM 2237 N LYS A 148 8.288 -3.003 5.635 1.00 1.08 N ATOM 2238 CA LYS A 148 7.290 -3.965 5.162 1.00 1.19 C ATOM 2239 C LYS A 148 6.532 -4.584 6.337 1.00 1.63 C ATOM 2240 O LYS A 148 5.297 -4.408 6.398 1.00 2.21 O ATOM 2241 CB LYS A 148 7.956 -5.068 4.320 1.00 1.53 C ATOM 2242 CG LYS A 148 8.442 -4.606 2.947 1.00 2.17 C ATOM 2243 CD LYS A 148 9.843 -4.006 3.010 1.00 2.29 C ATOM 2244 CE LYS A 148 10.329 -3.560 1.637 1.00 3.11 C ATOM 2245 NZ LYS A 148 9.639 -2.323 1.170 1.00 3.56 N ATOM 2246 OXT LYS A 148 7.179 -5.229 7.192 1.00 2.14 O ATOM 0 H LYS A 148 9.152 -3.429 5.969 1.00 1.08 H new ATOM 0 HA LYS A 148 6.577 -3.430 4.535 1.00 1.19 H new ATOM 0 HB2 LYS A 148 8.803 -5.471 4.875 1.00 1.53 H new ATOM 0 HB3 LYS A 148 7.246 -5.884 4.185 1.00 1.53 H new ATOM 0 HG2 LYS A 148 8.440 -5.451 2.258 1.00 2.17 H new ATOM 0 HG3 LYS A 148 7.748 -3.867 2.547 1.00 2.17 H new ATOM 0 HD2 LYS A 148 9.844 -3.154 3.690 1.00 2.29 H new ATOM 0 HD3 LYS A 148 10.535 -4.741 3.420 1.00 2.29 H new ATOM 0 HE2 LYS A 148 11.404 -3.383 1.674 1.00 3.11 H new ATOM 0 HE3 LYS A 148 10.163 -4.361 0.917 1.00 3.11 H new ATOM 0 HZ1 LYS A 148 10.013 -2.047 0.240 1.00 3.56 H new ATOM 0 HZ2 LYS A 148 8.618 -2.503 1.093 1.00 3.56 H new ATOM 0 HZ3 LYS A 148 9.804 -1.555 1.851 1.00 3.56 H new TER 2260 LYS A 148 ATOM 2261 N ALA B 503 19.573 -11.481 11.907 1.00 0.00 N ATOM 2262 CA ALA B 503 20.583 -11.133 12.939 1.00 0.00 C ATOM 2263 C ALA B 503 20.523 -9.650 13.287 1.00 0.00 C ATOM 2264 O ALA B 503 20.290 -8.810 12.413 1.00 0.00 O ATOM 2265 CB ALA B 503 21.978 -11.505 12.459 1.00 0.00 C ATOM 0 HA ALA B 503 20.355 -11.702 13.840 1.00 0.00 H new ATOM 0 HB1 ALA B 503 22.708 -11.244 13.225 1.00 0.00 H new ATOM 0 HB2 ALA B 503 22.022 -12.577 12.265 1.00 0.00 H new ATOM 0 HB3 ALA B 503 22.204 -10.961 11.542 1.00 0.00 H new ATOM 2273 N GLY B 504 20.734 -9.343 14.571 1.00 0.00 N ATOM 2274 CA GLY B 504 20.704 -7.965 15.038 1.00 0.00 C ATOM 2275 C GLY B 504 19.637 -7.731 16.089 1.00 0.00 C ATOM 2276 O GLY B 504 19.631 -8.395 17.129 1.00 0.00 O ATOM 0 H GLY B 504 20.926 -10.032 15.298 1.00 0.00 H new ATOM 0 HA2 GLY B 504 21.679 -7.703 15.450 1.00 0.00 H new ATOM 0 HA3 GLY B 504 20.527 -7.302 14.191 1.00 0.00 H new ATOM 2280 N HIS B 505 18.722 -6.779 15.806 1.00 0.00 N ATOM 2281 CA HIS B 505 17.604 -6.407 16.710 1.00 0.00 C ATOM 2282 C HIS B 505 18.104 -5.825 18.035 1.00 0.00 C ATOM 2283 O HIS B 505 18.958 -6.418 18.701 1.00 0.00 O ATOM 2284 CB HIS B 505 16.669 -7.600 16.983 1.00 0.00 C ATOM 2285 CG HIS B 505 15.906 -8.057 15.777 1.00 0.00 C ATOM 2286 ND1 HIS B 505 14.594 -7.707 15.538 1.00 0.00 N ATOM 2287 CD2 HIS B 505 16.278 -8.843 14.739 1.00 0.00 C ATOM 2288 CE1 HIS B 505 14.191 -8.257 14.407 1.00 0.00 C ATOM 2289 NE2 HIS B 505 15.195 -8.951 13.903 1.00 0.00 N ATOM 0 H HIS B 505 18.735 -6.242 14.939 1.00 0.00 H new ATOM 0 HA HIS B 505 17.038 -5.634 16.190 1.00 0.00 H new ATOM 0 HB2 HIS B 505 17.259 -8.433 17.365 1.00 0.00 H new ATOM 0 HB3 HIS B 505 15.962 -7.324 17.766 1.00 0.00 H new ATOM 0 HD2 HIS B 505 17.246 -9.300 14.596 1.00 0.00 H new ATOM 0 HE1 HIS B 505 13.209 -8.156 13.969 1.00 0.00 H new ATOM 0 HE2 HIS B 505 15.170 -9.482 13.032 1.00 0.00 H new ATOM 2298 N MET B 506 17.557 -4.662 18.404 1.00 0.00 N ATOM 2299 CA MET B 506 17.933 -3.979 19.646 1.00 0.00 C ATOM 2300 C MET B 506 16.934 -4.274 20.767 1.00 0.00 C ATOM 2301 O MET B 506 17.334 -4.521 21.909 1.00 0.00 O ATOM 2302 CB MET B 506 18.036 -2.465 19.419 1.00 0.00 C ATOM 2303 CG MET B 506 19.265 -2.043 18.623 1.00 0.00 C ATOM 2304 SD MET B 506 19.364 -0.256 18.375 1.00 0.00 S ATOM 2305 CE MET B 506 18.221 -0.022 17.014 1.00 0.00 C ATOM 0 H MET B 506 16.849 -4.172 17.857 1.00 0.00 H new ATOM 0 HA MET B 506 18.908 -4.359 19.950 1.00 0.00 H new ATOM 0 HB2 MET B 506 17.142 -2.124 18.897 1.00 0.00 H new ATOM 0 HB3 MET B 506 18.051 -1.963 20.386 1.00 0.00 H new ATOM 0 HG2 MET B 506 20.162 -2.383 19.142 1.00 0.00 H new ATOM 0 HG3 MET B 506 19.251 -2.539 17.652 1.00 0.00 H new ATOM 0 HE1 MET B 506 18.179 1.035 16.752 1.00 0.00 H new ATOM 0 HE2 MET B 506 18.559 -0.597 16.152 1.00 0.00 H new ATOM 0 HE3 MET B 506 17.229 -0.362 17.310 1.00 0.00 H new ATOM 2315 N ARG B 507 15.637 -4.244 20.431 1.00 0.00 N ATOM 2316 CA ARG B 507 14.574 -4.507 21.401 1.00 0.00 C ATOM 2317 C ARG B 507 13.959 -5.899 21.161 1.00 0.00 C ATOM 2318 O ARG B 507 13.750 -6.274 20.004 1.00 0.00 O ATOM 2319 CB ARG B 507 13.493 -3.424 21.300 1.00 0.00 C ATOM 2320 CG ARG B 507 12.763 -3.151 22.612 1.00 0.00 C ATOM 2321 CD ARG B 507 11.761 -2.013 22.476 1.00 0.00 C ATOM 2322 NE ARG B 507 12.416 -0.699 22.402 1.00 0.00 N ATOM 2323 CZ ARG B 507 11.770 0.474 22.344 1.00 0.00 C ATOM 2324 NH1 ARG B 507 10.439 0.530 22.349 1.00 0.00 N ATOM 2325 NH2 ARG B 507 12.465 1.602 22.279 1.00 0.00 N ATOM 0 H ARG B 507 15.301 -4.039 19.490 1.00 0.00 H new ATOM 0 HA ARG B 507 15.002 -4.487 22.403 1.00 0.00 H new ATOM 0 HB2 ARG B 507 13.952 -2.499 20.952 1.00 0.00 H new ATOM 0 HB3 ARG B 507 12.764 -3.722 20.546 1.00 0.00 H new ATOM 0 HG2 ARG B 507 12.245 -4.054 22.935 1.00 0.00 H new ATOM 0 HG3 ARG B 507 13.489 -2.905 23.387 1.00 0.00 H new ATOM 0 HD2 ARG B 507 11.159 -2.167 21.581 1.00 0.00 H new ATOM 0 HD3 ARG B 507 11.079 -2.029 23.326 1.00 0.00 H new ATOM 0 HE ARG B 507 13.436 -0.678 22.394 1.00 0.00 H new ATOM 0 HH11 ARG B 507 9.893 -0.330 22.398 1.00 0.00 H new ATOM 0 HH12 ARG B 507 9.966 1.433 22.304 1.00 0.00 H new ATOM 0 HH21 ARG B 507 13.485 1.573 22.273 1.00 0.00 H new ATOM 0 HH22 ARG B 507 11.980 2.498 22.235 1.00 0.00 H new ATOM 2339 N PRO B 508 13.653 -6.698 22.239 1.00 0.00 N ATOM 2340 CA PRO B 508 13.058 -8.042 22.087 1.00 0.00 C ATOM 2341 C PRO B 508 11.566 -8.005 21.732 1.00 0.00 C ATOM 2342 O PRO B 508 11.090 -8.837 20.954 1.00 0.00 O ATOM 2343 CB PRO B 508 13.254 -8.698 23.468 1.00 0.00 C ATOM 2344 CG PRO B 508 14.082 -7.747 24.271 1.00 0.00 C ATOM 2345 CD PRO B 508 13.867 -6.388 23.670 1.00 0.00 C ATOM 0 HA PRO B 508 13.531 -8.584 21.268 1.00 0.00 H new ATOM 0 HB2 PRO B 508 12.294 -8.881 23.951 1.00 0.00 H new ATOM 0 HB3 PRO B 508 13.752 -9.663 23.373 1.00 0.00 H new ATOM 0 HG2 PRO B 508 13.782 -7.760 25.319 1.00 0.00 H new ATOM 0 HG3 PRO B 508 15.135 -8.025 24.237 1.00 0.00 H new ATOM 0 HD2 PRO B 508 13.007 -5.882 24.108 1.00 0.00 H new ATOM 0 HD3 PRO B 508 14.729 -5.738 23.819 1.00 0.00 H new ATOM 2353 N LYS B 509 10.841 -7.036 22.307 1.00 0.00 N ATOM 2354 CA LYS B 509 9.404 -6.884 22.062 1.00 0.00 C ATOM 2355 C LYS B 509 9.125 -5.679 21.170 1.00 0.00 C ATOM 2356 O LYS B 509 9.803 -4.652 21.271 1.00 0.00 O ATOM 2357 CB LYS B 509 8.645 -6.739 23.385 1.00 0.00 C ATOM 2358 CG LYS B 509 8.540 -8.033 24.179 1.00 0.00 C ATOM 2359 CD LYS B 509 7.782 -7.828 25.483 1.00 0.00 C ATOM 2360 CE LYS B 509 7.674 -9.120 26.283 1.00 0.00 C ATOM 2361 NZ LYS B 509 8.970 -9.504 26.911 1.00 0.00 N ATOM 0 H LYS B 509 11.230 -6.344 22.947 1.00 0.00 H new ATOM 0 HA LYS B 509 9.057 -7.781 21.550 1.00 0.00 H new ATOM 0 HB2 LYS B 509 9.142 -5.987 23.998 1.00 0.00 H new ATOM 0 HB3 LYS B 509 7.641 -6.368 23.178 1.00 0.00 H new ATOM 0 HG2 LYS B 509 8.035 -8.789 23.578 1.00 0.00 H new ATOM 0 HG3 LYS B 509 9.539 -8.411 24.394 1.00 0.00 H new ATOM 0 HD2 LYS B 509 8.287 -7.071 26.082 1.00 0.00 H new ATOM 0 HD3 LYS B 509 6.783 -7.449 25.267 1.00 0.00 H new ATOM 0 HE2 LYS B 509 6.917 -9.003 27.059 1.00 0.00 H new ATOM 0 HE3 LYS B 509 7.337 -9.924 25.628 1.00 0.00 H new ATOM 0 HZ1 LYS B 509 8.849 -10.388 27.445 1.00 0.00 H new ATOM 0 HZ2 LYS B 509 9.687 -9.642 26.171 1.00 0.00 H new ATOM 0 HZ3 LYS B 509 9.280 -8.750 27.557 1.00 0.00 H new ATOM 2375 N ARG B 510 8.120 -5.819 20.299 1.00 0.00 N ATOM 2376 CA ARG B 510 7.726 -4.754 19.374 1.00 0.00 C ATOM 2377 C ARG B 510 6.212 -4.536 19.417 1.00 0.00 C ATOM 2378 O ARG B 510 5.452 -5.464 19.711 1.00 0.00 O ATOM 2379 CB ARG B 510 8.171 -5.102 17.947 1.00 0.00 C ATOM 2380 CG ARG B 510 8.494 -3.888 17.084 1.00 0.00 C ATOM 2381 CD ARG B 510 8.921 -4.298 15.684 1.00 0.00 C ATOM 2382 NE ARG B 510 9.232 -3.137 14.842 1.00 0.00 N ATOM 2383 CZ ARG B 510 9.606 -3.205 13.556 1.00 0.00 C ATOM 2384 NH1 ARG B 510 9.725 -4.376 12.933 1.00 0.00 N ATOM 2385 NH2 ARG B 510 9.864 -2.087 12.890 1.00 0.00 N ATOM 0 H ARG B 510 7.561 -6.668 20.216 1.00 0.00 H new ATOM 0 HA ARG B 510 8.216 -3.830 19.682 1.00 0.00 H new ATOM 0 HB2 ARG B 510 9.051 -5.743 17.998 1.00 0.00 H new ATOM 0 HB3 ARG B 510 7.384 -5.680 17.463 1.00 0.00 H new ATOM 0 HG2 ARG B 510 7.620 -3.240 17.024 1.00 0.00 H new ATOM 0 HG3 ARG B 510 9.289 -3.308 17.553 1.00 0.00 H new ATOM 0 HD2 ARG B 510 9.796 -4.945 15.747 1.00 0.00 H new ATOM 0 HD3 ARG B 510 8.126 -4.881 15.219 1.00 0.00 H new ATOM 0 HE ARG B 510 9.158 -2.212 15.265 1.00 0.00 H new ATOM 0 HH11 ARG B 510 9.530 -5.243 13.435 1.00 0.00 H new ATOM 0 HH12 ARG B 510 10.011 -4.406 11.954 1.00 0.00 H new ATOM 0 HH21 ARG B 510 9.777 -1.184 13.356 1.00 0.00 H new ATOM 0 HH22 ARG B 510 10.149 -2.130 11.912 1.00 0.00 H new ATOM 2399 N ARG B 511 5.791 -3.302 19.121 1.00 0.00 N ATOM 2400 CA ARG B 511 4.371 -2.940 19.118 1.00 0.00 C ATOM 2401 C ARG B 511 3.862 -2.755 17.691 1.00 0.00 C ATOM 2402 O ARG B 511 4.475 -2.037 16.896 1.00 0.00 O ATOM 2403 CB ARG B 511 4.140 -1.658 19.927 1.00 0.00 C ATOM 2404 CG ARG B 511 4.279 -1.845 21.431 1.00 0.00 C ATOM 2405 CD ARG B 511 4.090 -0.534 22.177 1.00 0.00 C ATOM 2406 NE ARG B 511 4.242 -0.701 23.626 1.00 0.00 N ATOM 2407 CZ ARG B 511 4.346 0.308 24.504 1.00 0.00 C ATOM 2408 NH1 ARG B 511 4.318 1.577 24.103 1.00 0.00 N ATOM 2409 NH2 ARG B 511 4.479 0.040 25.796 1.00 0.00 N ATOM 0 H ARG B 511 6.417 -2.534 18.879 1.00 0.00 H new ATOM 0 HA ARG B 511 3.815 -3.754 19.583 1.00 0.00 H new ATOM 0 HB2 ARG B 511 4.850 -0.899 19.598 1.00 0.00 H new ATOM 0 HB3 ARG B 511 3.142 -1.277 19.709 1.00 0.00 H new ATOM 0 HG2 ARG B 511 3.544 -2.571 21.778 1.00 0.00 H new ATOM 0 HG3 ARG B 511 5.263 -2.255 21.658 1.00 0.00 H new ATOM 0 HD2 ARG B 511 4.816 0.196 21.818 1.00 0.00 H new ATOM 0 HD3 ARG B 511 3.100 -0.133 21.960 1.00 0.00 H new ATOM 0 HE ARG B 511 4.271 -1.652 23.993 1.00 0.00 H new ATOM 0 HH11 ARG B 511 4.216 1.797 23.112 1.00 0.00 H new ATOM 0 HH12 ARG B 511 4.399 2.330 24.787 1.00 0.00 H new ATOM 0 HH21 ARG B 511 4.502 -0.928 26.116 1.00 0.00 H new ATOM 0 HH22 ARG B 511 4.559 0.802 26.469 1.00 0.00 H new ATOM 2423 N GLU B 512 2.739 -3.411 17.380 1.00 0.00 N ATOM 2424 CA GLU B 512 2.132 -3.334 16.048 1.00 0.00 C ATOM 2425 C GLU B 512 0.682 -2.848 16.139 1.00 0.00 C ATOM 2426 O GLU B 512 -0.212 -3.595 16.554 1.00 0.00 O ATOM 2427 CB GLU B 512 2.197 -4.703 15.345 1.00 0.00 C ATOM 2428 CG GLU B 512 3.607 -5.159 14.972 1.00 0.00 C ATOM 2429 CD GLU B 512 4.365 -5.767 16.139 1.00 0.00 C ATOM 2430 OE1 GLU B 512 3.994 -6.878 16.574 1.00 0.00 O ATOM 2431 OE2 GLU B 512 5.333 -5.136 16.612 1.00 0.00 O ATOM 0 H GLU B 512 2.231 -4.004 18.036 1.00 0.00 H new ATOM 0 HA GLU B 512 2.698 -2.614 15.457 1.00 0.00 H new ATOM 0 HB2 GLU B 512 1.747 -5.453 15.996 1.00 0.00 H new ATOM 0 HB3 GLU B 512 1.591 -4.661 14.440 1.00 0.00 H new ATOM 0 HG2 GLU B 512 3.545 -5.891 14.166 1.00 0.00 H new ATOM 0 HG3 GLU B 512 4.168 -4.307 14.586 1.00 0.00 H new ATOM 2438 N ILE B 513 0.467 -1.580 15.758 1.00 0.00 N ATOM 2439 CA ILE B 513 -0.869 -0.958 15.788 1.00 0.00 C ATOM 2440 C ILE B 513 -1.069 0.147 14.714 1.00 0.00 C ATOM 2441 O ILE B 513 -2.217 0.381 14.325 1.00 0.00 O ATOM 2442 CB ILE B 513 -1.247 -0.374 17.191 1.00 0.00 C ATOM 2443 CG1 ILE B 513 -0.078 0.370 17.868 1.00 0.00 C ATOM 2444 CG2 ILE B 513 -1.756 -1.480 18.103 1.00 0.00 C ATOM 2445 CD1 ILE B 513 0.006 1.839 17.505 1.00 0.00 C ATOM 0 H ILE B 513 1.205 -0.960 15.423 1.00 0.00 H new ATOM 0 HA ILE B 513 -1.540 -1.786 15.557 1.00 0.00 H new ATOM 0 HB ILE B 513 -2.036 0.359 17.022 1.00 0.00 H new ATOM 0 HG12 ILE B 513 -0.179 0.278 18.949 1.00 0.00 H new ATOM 0 HG13 ILE B 513 0.858 -0.117 17.593 1.00 0.00 H new ATOM 0 HG21 ILE B 513 -2.015 -1.060 19.075 1.00 0.00 H new ATOM 0 HG22 ILE B 513 -2.639 -1.940 17.659 1.00 0.00 H new ATOM 0 HG23 ILE B 513 -0.979 -2.234 18.229 1.00 0.00 H new ATOM 0 HD11 ILE B 513 0.853 2.293 18.020 1.00 0.00 H new ATOM 0 HD12 ILE B 513 0.139 1.941 16.428 1.00 0.00 H new ATOM 0 HD13 ILE B 513 -0.913 2.341 17.806 1.00 0.00 H new ATOM 2457 N PRO B 514 0.006 0.852 14.197 1.00 0.00 N ATOM 2458 CA PRO B 514 -0.166 1.924 13.179 1.00 0.00 C ATOM 2459 C PRO B 514 -0.762 1.428 11.851 1.00 0.00 C ATOM 2460 O PRO B 514 -0.973 0.226 11.666 1.00 0.00 O ATOM 2461 CB PRO B 514 1.263 2.451 12.955 1.00 0.00 C ATOM 2462 CG PRO B 514 2.035 2.013 14.146 1.00 0.00 C ATOM 2463 CD PRO B 514 1.442 0.697 14.545 1.00 0.00 C ATOM 0 HA PRO B 514 -0.872 2.677 13.529 1.00 0.00 H new ATOM 0 HB2 PRO B 514 1.692 2.047 12.038 1.00 0.00 H new ATOM 0 HB3 PRO B 514 1.271 3.537 12.859 1.00 0.00 H new ATOM 0 HG2 PRO B 514 3.095 1.911 13.911 1.00 0.00 H new ATOM 0 HG3 PRO B 514 1.956 2.740 14.954 1.00 0.00 H new ATOM 0 HD2 PRO B 514 1.900 -0.131 14.005 1.00 0.00 H new ATOM 0 HD3 PRO B 514 1.580 0.499 15.608 1.00 0.00 H new ATOM 2471 N LEU B 515 -1.026 2.381 10.936 1.00 0.00 N ATOM 2472 CA LEU B 515 -1.598 2.097 9.606 1.00 0.00 C ATOM 2473 C LEU B 515 -0.615 1.327 8.711 1.00 0.00 C ATOM 2474 O LEU B 515 -0.838 0.149 8.422 1.00 0.00 O ATOM 2475 CB LEU B 515 -2.040 3.404 8.916 1.00 0.00 C ATOM 2476 CG LEU B 515 -1.127 4.617 9.130 1.00 0.00 C ATOM 2477 CD1 LEU B 515 -0.932 5.378 7.826 1.00 0.00 C ATOM 2478 CD2 LEU B 515 -1.669 5.495 10.254 1.00 0.00 C ATOM 0 H LEU B 515 -0.848 3.372 11.099 1.00 0.00 H new ATOM 0 HA LEU B 515 -2.471 1.462 9.757 1.00 0.00 H new ATOM 0 HB2 LEU B 515 -2.119 3.218 7.845 1.00 0.00 H new ATOM 0 HB3 LEU B 515 -3.039 3.659 9.270 1.00 0.00 H new ATOM 0 HG LEU B 515 -0.140 4.276 9.441 1.00 0.00 H new ATOM 0 HD11 LEU B 515 -0.281 6.235 7.999 1.00 0.00 H new ATOM 0 HD12 LEU B 515 -0.477 4.720 7.085 1.00 0.00 H new ATOM 0 HD13 LEU B 515 -1.898 5.724 7.459 1.00 0.00 H new ATOM 0 HD21 LEU B 515 -1.011 6.353 10.395 1.00 0.00 H new ATOM 0 HD22 LEU B 515 -2.668 5.843 9.994 1.00 0.00 H new ATOM 0 HD23 LEU B 515 -1.715 4.917 11.177 1.00 0.00 H new ATOM 2490 N LYS B 516 0.486 2.002 8.304 1.00 0.00 N ATOM 2491 CA LYS B 516 1.547 1.449 7.438 1.00 0.00 C ATOM 2492 C LYS B 516 1.043 0.563 6.271 1.00 0.00 C ATOM 2493 O LYS B 516 1.789 -0.285 5.762 1.00 0.00 O ATOM 2494 CB LYS B 516 2.542 0.696 8.320 1.00 0.00 C ATOM 2495 CG LYS B 516 3.704 1.554 8.786 1.00 0.00 C ATOM 2496 CD LYS B 516 4.562 0.827 9.809 1.00 0.00 C ATOM 2497 CE LYS B 516 5.721 1.692 10.277 1.00 0.00 C ATOM 2498 NZ LYS B 516 6.568 0.990 11.282 1.00 0.00 N ATOM 0 H LYS B 516 0.662 2.969 8.577 1.00 0.00 H new ATOM 0 HA LYS B 516 2.026 2.291 6.938 1.00 0.00 H new ATOM 0 HB2 LYS B 516 2.018 0.302 9.191 1.00 0.00 H new ATOM 0 HB3 LYS B 516 2.930 -0.160 7.768 1.00 0.00 H new ATOM 0 HG2 LYS B 516 4.317 1.834 7.929 1.00 0.00 H new ATOM 0 HG3 LYS B 516 3.323 2.478 9.221 1.00 0.00 H new ATOM 0 HD2 LYS B 516 3.949 0.544 10.665 1.00 0.00 H new ATOM 0 HD3 LYS B 516 4.947 -0.095 9.374 1.00 0.00 H new ATOM 0 HE2 LYS B 516 6.333 1.974 9.420 1.00 0.00 H new ATOM 0 HE3 LYS B 516 5.334 2.615 10.709 1.00 0.00 H new ATOM 0 HZ1 LYS B 516 6.627 1.564 12.147 1.00 0.00 H new ATOM 0 HZ2 LYS B 516 6.146 0.066 11.507 1.00 0.00 H new ATOM 0 HZ3 LYS B 516 7.523 0.849 10.894 1.00 0.00 H new ATOM 2512 N VAL B 517 -0.210 0.779 5.834 1.00 0.00 N ATOM 2513 CA VAL B 517 -0.788 -0.005 4.729 1.00 0.00 C ATOM 2514 C VAL B 517 -1.510 0.870 3.727 1.00 0.00 C ATOM 2515 O VAL B 517 -1.465 0.615 2.527 1.00 0.00 O ATOM 2516 CB VAL B 517 -1.756 -1.118 5.204 1.00 0.00 C ATOM 2517 CG1 VAL B 517 -2.199 -1.974 4.018 1.00 0.00 C ATOM 2518 CG2 VAL B 517 -1.121 -1.987 6.282 1.00 0.00 C ATOM 0 H VAL B 517 -0.836 1.483 6.225 1.00 0.00 H new ATOM 0 HA VAL B 517 0.070 -0.479 4.252 1.00 0.00 H new ATOM 0 HB VAL B 517 -2.632 -0.638 5.641 1.00 0.00 H new ATOM 0 HG11 VAL B 517 -2.879 -2.752 4.365 1.00 0.00 H new ATOM 0 HG12 VAL B 517 -2.709 -1.347 3.287 1.00 0.00 H new ATOM 0 HG13 VAL B 517 -1.326 -2.434 3.555 1.00 0.00 H new ATOM 0 HG21 VAL B 517 -1.828 -2.757 6.592 1.00 0.00 H new ATOM 0 HG22 VAL B 517 -0.221 -2.458 5.886 1.00 0.00 H new ATOM 0 HG23 VAL B 517 -0.859 -1.368 7.140 1.00 0.00 H new ATOM 2528 N LEU B 518 -2.190 1.875 4.233 1.00 0.00 N ATOM 2529 CA LEU B 518 -2.937 2.830 3.426 1.00 0.00 C ATOM 2530 C LEU B 518 -2.054 3.560 2.393 1.00 0.00 C ATOM 2531 O LEU B 518 -2.515 4.437 1.659 1.00 0.00 O ATOM 2532 CB LEU B 518 -3.635 3.790 4.386 1.00 0.00 C ATOM 2533 CG LEU B 518 -4.903 3.246 5.095 1.00 0.00 C ATOM 2534 CD1 LEU B 518 -5.621 2.170 4.273 1.00 0.00 C ATOM 2535 CD2 LEU B 518 -4.544 2.699 6.468 1.00 0.00 C ATOM 0 H LEU B 518 -2.244 2.060 5.235 1.00 0.00 H new ATOM 0 HA LEU B 518 -3.676 2.304 2.822 1.00 0.00 H new ATOM 0 HB2 LEU B 518 -2.918 4.093 5.150 1.00 0.00 H new ATOM 0 HB3 LEU B 518 -3.910 4.688 3.833 1.00 0.00 H new ATOM 0 HG LEU B 518 -5.592 4.084 5.202 1.00 0.00 H new ATOM 0 HD11 LEU B 518 -6.501 1.824 4.816 1.00 0.00 H new ATOM 0 HD12 LEU B 518 -5.927 2.588 3.314 1.00 0.00 H new ATOM 0 HD13 LEU B 518 -4.946 1.331 4.104 1.00 0.00 H new ATOM 0 HD21 LEU B 518 -5.443 2.320 6.955 1.00 0.00 H new ATOM 0 HD22 LEU B 518 -3.822 1.890 6.360 1.00 0.00 H new ATOM 0 HD23 LEU B 518 -4.110 3.494 7.074 1.00 0.00 H new ATOM 2547 N VAL B 519 -0.786 3.154 2.356 1.00 0.00 N ATOM 2548 CA VAL B 519 0.211 3.661 1.419 1.00 0.00 C ATOM 2549 C VAL B 519 1.003 2.467 0.898 1.00 0.00 C ATOM 2550 O VAL B 519 1.385 2.437 -0.273 1.00 0.00 O ATOM 2551 CB VAL B 519 1.140 4.741 2.061 1.00 0.00 C ATOM 2552 CG1 VAL B 519 2.169 5.273 1.060 1.00 0.00 C ATOM 2553 CG2 VAL B 519 0.325 5.914 2.598 1.00 0.00 C ATOM 0 H VAL B 519 -0.416 2.447 2.992 1.00 0.00 H new ATOM 0 HA VAL B 519 -0.288 4.170 0.595 1.00 0.00 H new ATOM 0 HB VAL B 519 1.665 4.252 2.881 1.00 0.00 H new ATOM 0 HG11 VAL B 519 2.795 6.022 1.545 1.00 0.00 H new ATOM 0 HG12 VAL B 519 2.792 4.451 0.708 1.00 0.00 H new ATOM 0 HG13 VAL B 519 1.653 5.726 0.213 1.00 0.00 H new ATOM 0 HG21 VAL B 519 0.996 6.651 3.039 1.00 0.00 H new ATOM 0 HG22 VAL B 519 -0.233 6.373 1.782 1.00 0.00 H new ATOM 0 HG23 VAL B 519 -0.371 5.556 3.357 1.00 0.00 H new ATOM 2563 N LYS B 520 1.243 1.486 1.784 1.00 0.00 N ATOM 2564 CA LYS B 520 1.916 0.254 1.426 1.00 0.00 C ATOM 2565 C LYS B 520 1.072 -0.585 0.470 1.00 0.00 C ATOM 2566 O LYS B 520 1.602 -1.384 -0.308 1.00 0.00 O ATOM 2567 CB LYS B 520 2.217 -0.537 2.686 1.00 0.00 C ATOM 2568 CG LYS B 520 3.665 -0.984 2.769 1.00 0.00 C ATOM 2569 CD LYS B 520 4.200 -1.500 1.423 1.00 0.00 C ATOM 2570 CE LYS B 520 4.942 -2.817 1.581 1.00 0.00 C ATOM 2571 NZ LYS B 520 5.502 -3.296 0.288 1.00 0.00 N ATOM 0 H LYS B 520 0.971 1.538 2.766 1.00 0.00 H new ATOM 0 HA LYS B 520 2.845 0.504 0.914 1.00 0.00 H new ATOM 0 HB2 LYS B 520 1.979 0.073 3.558 1.00 0.00 H new ATOM 0 HB3 LYS B 520 1.569 -1.412 2.723 1.00 0.00 H new ATOM 0 HG2 LYS B 520 4.281 -0.150 3.105 1.00 0.00 H new ATOM 0 HG3 LYS B 520 3.757 -1.770 3.518 1.00 0.00 H new ATOM 0 HD2 LYS B 520 3.371 -1.631 0.728 1.00 0.00 H new ATOM 0 HD3 LYS B 520 4.867 -0.756 0.987 1.00 0.00 H new ATOM 0 HE2 LYS B 520 5.749 -2.695 2.303 1.00 0.00 H new ATOM 0 HE3 LYS B 520 4.264 -3.570 1.984 1.00 0.00 H new ATOM 0 HZ1 LYS B 520 6.366 -3.846 0.467 1.00 0.00 H new ATOM 0 HZ2 LYS B 520 4.802 -3.897 -0.192 1.00 0.00 H new ATOM 0 HZ3 LYS B 520 5.729 -2.480 -0.315 1.00 0.00 H new ATOM 2585 N ALA B 521 -0.249 -0.388 0.549 1.00 0.00 N ATOM 2586 CA ALA B 521 -1.202 -1.061 -0.322 1.00 0.00 C ATOM 2587 C ALA B 521 -1.334 -0.273 -1.628 1.00 0.00 C ATOM 2588 O ALA B 521 -2.212 -0.522 -2.462 1.00 0.00 O ATOM 2589 CB ALA B 521 -2.540 -1.196 0.379 1.00 0.00 C ATOM 0 H ALA B 521 -0.682 0.245 1.222 1.00 0.00 H new ATOM 0 HA ALA B 521 -0.847 -2.065 -0.556 1.00 0.00 H new ATOM 0 HB1 ALA B 521 -3.247 -1.701 -0.280 1.00 0.00 H new ATOM 0 HB2 ALA B 521 -2.415 -1.779 1.292 1.00 0.00 H new ATOM 0 HB3 ALA B 521 -2.921 -0.206 0.630 1.00 0.00 H new ATOM 2595 N VAL B 522 -0.404 0.674 -1.769 1.00 0.00 N ATOM 2596 CA VAL B 522 -0.310 1.565 -2.905 1.00 0.00 C ATOM 2597 C VAL B 522 1.137 1.595 -3.416 1.00 0.00 C ATOM 2598 O VAL B 522 1.381 2.005 -4.554 1.00 0.00 O ATOM 2599 CB VAL B 522 -0.811 3.010 -2.602 1.00 0.00 C ATOM 2600 CG1 VAL B 522 -1.102 3.767 -3.896 1.00 0.00 C ATOM 2601 CG2 VAL B 522 -2.066 2.981 -1.732 1.00 0.00 C ATOM 0 H VAL B 522 0.321 0.839 -1.070 1.00 0.00 H new ATOM 0 HA VAL B 522 -0.973 1.171 -3.675 1.00 0.00 H new ATOM 0 HB VAL B 522 -0.018 3.526 -2.060 1.00 0.00 H new ATOM 0 HG11 VAL B 522 -1.450 4.772 -3.659 1.00 0.00 H new ATOM 0 HG12 VAL B 522 -0.192 3.829 -4.493 1.00 0.00 H new ATOM 0 HG13 VAL B 522 -1.871 3.240 -4.460 1.00 0.00 H new ATOM 0 HG21 VAL B 522 -2.396 4.001 -1.535 1.00 0.00 H new ATOM 0 HG22 VAL B 522 -2.856 2.438 -2.251 1.00 0.00 H new ATOM 0 HG23 VAL B 522 -1.843 2.483 -0.788 1.00 0.00 H new ATOM 2611 N LEU B 523 2.097 1.159 -2.564 1.00 0.00 N ATOM 2612 CA LEU B 523 3.499 1.093 -2.952 1.00 0.00 C ATOM 2613 C LEU B 523 3.745 -0.263 -3.590 1.00 0.00 C ATOM 2614 O LEU B 523 4.735 -0.473 -4.294 1.00 0.00 O ATOM 2615 CB LEU B 523 4.411 1.285 -1.739 1.00 0.00 C ATOM 2616 CG LEU B 523 4.282 2.645 -1.048 1.00 0.00 C ATOM 2617 CD1 LEU B 523 4.619 2.534 0.426 1.00 0.00 C ATOM 2618 CD2 LEU B 523 5.173 3.690 -1.704 1.00 0.00 C ATOM 0 H LEU B 523 1.911 0.852 -1.609 1.00 0.00 H new ATOM 0 HA LEU B 523 3.725 1.891 -3.659 1.00 0.00 H new ATOM 0 HB2 LEU B 523 4.195 0.502 -1.012 1.00 0.00 H new ATOM 0 HB3 LEU B 523 5.446 1.150 -2.055 1.00 0.00 H new ATOM 0 HG LEU B 523 3.245 2.965 -1.152 1.00 0.00 H new ATOM 0 HD11 LEU B 523 4.521 3.512 0.896 1.00 0.00 H new ATOM 0 HD12 LEU B 523 3.936 1.831 0.903 1.00 0.00 H new ATOM 0 HD13 LEU B 523 5.643 2.178 0.539 1.00 0.00 H new ATOM 0 HD21 LEU B 523 5.056 4.643 -1.188 1.00 0.00 H new ATOM 0 HD22 LEU B 523 6.213 3.370 -1.645 1.00 0.00 H new ATOM 0 HD23 LEU B 523 4.888 3.806 -2.750 1.00 0.00 H new ATOM 2630 N PHE B 524 2.797 -1.176 -3.320 1.00 0.00 N ATOM 2631 CA PHE B 524 2.821 -2.528 -3.854 1.00 0.00 C ATOM 2632 C PHE B 524 2.178 -2.561 -5.254 1.00 0.00 C ATOM 2633 O PHE B 524 2.505 -3.423 -6.075 1.00 0.00 O ATOM 2634 CB PHE B 524 2.140 -3.494 -2.848 1.00 0.00 C ATOM 2635 CG PHE B 524 0.960 -4.278 -3.366 1.00 0.00 C ATOM 2636 CD1 PHE B 524 1.148 -5.441 -4.090 1.00 0.00 C ATOM 2637 CD2 PHE B 524 -0.332 -3.850 -3.116 1.00 0.00 C ATOM 2638 CE1 PHE B 524 0.069 -6.164 -4.558 1.00 0.00 C ATOM 2639 CE2 PHE B 524 -1.416 -4.567 -3.580 1.00 0.00 C ATOM 2640 CZ PHE B 524 -1.216 -5.727 -4.302 1.00 0.00 C ATOM 0 H PHE B 524 1.993 -0.986 -2.721 1.00 0.00 H new ATOM 0 HA PHE B 524 3.850 -2.865 -3.980 1.00 0.00 H new ATOM 0 HB2 PHE B 524 2.890 -4.200 -2.491 1.00 0.00 H new ATOM 0 HB3 PHE B 524 1.813 -2.914 -1.985 1.00 0.00 H new ATOM 0 HD1 PHE B 524 2.151 -5.788 -4.292 1.00 0.00 H new ATOM 0 HD2 PHE B 524 -0.494 -2.944 -2.551 1.00 0.00 H new ATOM 0 HE1 PHE B 524 0.229 -7.070 -5.123 1.00 0.00 H new ATOM 0 HE2 PHE B 524 -2.419 -4.221 -3.379 1.00 0.00 H new ATOM 0 HZ PHE B 524 -2.062 -6.291 -4.666 1.00 0.00 H new ATOM 2650 N ALA B 525 1.264 -1.609 -5.502 1.00 0.00 N ATOM 2651 CA ALA B 525 0.575 -1.487 -6.790 1.00 0.00 C ATOM 2652 C ALA B 525 1.340 -0.555 -7.739 1.00 0.00 C ATOM 2653 O ALA B 525 1.100 -0.558 -8.949 1.00 0.00 O ATOM 2654 CB ALA B 525 -0.845 -0.981 -6.583 1.00 0.00 C ATOM 0 H ALA B 525 0.985 -0.907 -4.817 1.00 0.00 H new ATOM 0 HA ALA B 525 0.534 -2.476 -7.247 1.00 0.00 H new ATOM 0 HB1 ALA B 525 -1.345 -0.895 -7.548 1.00 0.00 H new ATOM 0 HB2 ALA B 525 -1.392 -1.681 -5.952 1.00 0.00 H new ATOM 0 HB3 ALA B 525 -0.816 -0.004 -6.101 1.00 0.00 H new ATOM 2660 N CYS B 526 2.260 0.242 -7.169 1.00 0.00 N ATOM 2661 CA CYS B 526 3.093 1.173 -7.943 1.00 0.00 C ATOM 2662 C CYS B 526 4.332 0.456 -8.504 1.00 0.00 C ATOM 2663 O CYS B 526 5.175 1.070 -9.168 1.00 0.00 O ATOM 2664 CB CYS B 526 3.517 2.356 -7.057 1.00 0.00 C ATOM 2665 SG CYS B 526 4.489 3.618 -7.916 1.00 0.00 S ATOM 0 H CYS B 526 2.445 0.258 -6.166 1.00 0.00 H new ATOM 0 HA CYS B 526 2.508 1.549 -8.782 1.00 0.00 H new ATOM 0 HB2 CYS B 526 2.624 2.822 -6.642 1.00 0.00 H new ATOM 0 HB3 CYS B 526 4.098 1.976 -6.217 1.00 0.00 H new ATOM 0 HG CYS B 526 5.198 3.058 -8.851 1.00 0.00 H new ATOM 2671 N MET B 527 4.411 -0.852 -8.235 1.00 0.00 N ATOM 2672 CA MET B 527 5.527 -1.689 -8.683 1.00 0.00 C ATOM 2673 C MET B 527 5.138 -2.547 -9.892 1.00 0.00 C ATOM 2674 O MET B 527 6.012 -3.089 -10.575 1.00 0.00 O ATOM 2675 CB MET B 527 5.994 -2.595 -7.536 1.00 0.00 C ATOM 2676 CG MET B 527 6.563 -1.839 -6.341 1.00 0.00 C ATOM 2677 SD MET B 527 6.618 -2.845 -4.846 1.00 0.00 S ATOM 2678 CE MET B 527 7.455 -1.737 -3.714 1.00 0.00 C ATOM 0 H MET B 527 3.704 -1.358 -7.702 1.00 0.00 H new ATOM 0 HA MET B 527 6.339 -1.028 -8.985 1.00 0.00 H new ATOM 0 HB2 MET B 527 5.153 -3.203 -7.202 1.00 0.00 H new ATOM 0 HB3 MET B 527 6.753 -3.280 -7.914 1.00 0.00 H new ATOM 0 HG2 MET B 527 7.569 -1.494 -6.580 1.00 0.00 H new ATOM 0 HG3 MET B 527 5.958 -0.952 -6.155 1.00 0.00 H new ATOM 0 HE1 MET B 527 7.131 -1.946 -2.694 1.00 0.00 H new ATOM 0 HE2 MET B 527 8.532 -1.885 -3.790 1.00 0.00 H new ATOM 0 HE3 MET B 527 7.212 -0.705 -3.968 1.00 0.00 H new ATOM 2688 N LEU B 528 3.820 -2.668 -10.146 1.00 0.00 N ATOM 2689 CA LEU B 528 3.281 -3.461 -11.266 1.00 0.00 C ATOM 2690 C LEU B 528 3.850 -3.036 -12.628 1.00 0.00 C ATOM 2691 O LEU B 528 4.129 -3.886 -13.480 1.00 0.00 O ATOM 2692 CB LEU B 528 1.751 -3.362 -11.293 1.00 0.00 C ATOM 2693 CG LEU B 528 1.062 -3.771 -9.991 1.00 0.00 C ATOM 2694 CD1 LEU B 528 -0.299 -3.104 -9.865 1.00 0.00 C ATOM 2695 CD2 LEU B 528 0.922 -5.281 -9.894 1.00 0.00 C ATOM 0 H LEU B 528 3.100 -2.218 -9.580 1.00 0.00 H new ATOM 0 HA LEU B 528 3.588 -4.493 -11.096 1.00 0.00 H new ATOM 0 HB2 LEU B 528 1.471 -2.336 -11.530 1.00 0.00 H new ATOM 0 HB3 LEU B 528 1.374 -3.990 -12.101 1.00 0.00 H new ATOM 0 HG LEU B 528 1.690 -3.434 -9.166 1.00 0.00 H new ATOM 0 HD11 LEU B 528 -0.769 -3.411 -8.931 1.00 0.00 H new ATOM 0 HD12 LEU B 528 -0.175 -2.021 -9.871 1.00 0.00 H new ATOM 0 HD13 LEU B 528 -0.929 -3.402 -10.703 1.00 0.00 H new ATOM 0 HD21 LEU B 528 0.429 -5.541 -8.958 1.00 0.00 H new ATOM 0 HD22 LEU B 528 0.327 -5.646 -10.731 1.00 0.00 H new ATOM 0 HD23 LEU B 528 1.910 -5.741 -9.923 1.00 0.00 H new ATOM 2707 N MET B 529 4.015 -1.721 -12.817 1.00 0.00 N ATOM 2708 CA MET B 529 4.549 -1.170 -14.067 1.00 0.00 C ATOM 2709 C MET B 529 5.724 -0.227 -13.801 1.00 0.00 C ATOM 2710 O MET B 529 6.717 -0.253 -14.530 1.00 0.00 O ATOM 2711 CB MET B 529 3.452 -0.431 -14.842 1.00 0.00 C ATOM 2712 CG MET B 529 2.446 -1.355 -15.517 1.00 0.00 C ATOM 2713 SD MET B 529 1.155 -0.461 -16.408 1.00 0.00 S ATOM 2714 CE MET B 529 2.003 -0.032 -17.928 1.00 0.00 C ATOM 0 H MET B 529 3.785 -1.017 -12.116 1.00 0.00 H new ATOM 0 HA MET B 529 4.909 -2.005 -14.668 1.00 0.00 H new ATOM 0 HB2 MET B 529 2.921 0.231 -14.159 1.00 0.00 H new ATOM 0 HB3 MET B 529 3.917 0.199 -15.600 1.00 0.00 H new ATOM 0 HG2 MET B 529 2.972 -2.010 -16.211 1.00 0.00 H new ATOM 0 HG3 MET B 529 1.985 -1.993 -14.763 1.00 0.00 H new ATOM 0 HE1 MET B 529 1.327 0.524 -18.577 1.00 0.00 H new ATOM 0 HE2 MET B 529 2.873 0.583 -17.698 1.00 0.00 H new ATOM 0 HE3 MET B 529 2.325 -0.942 -18.434 1.00 0.00 H new ATOM 2724 N ARG B 530 5.597 0.601 -12.737 1.00 0.00 N ATOM 2725 CA ARG B 530 6.617 1.595 -12.307 1.00 0.00 C ATOM 2726 C ARG B 530 7.259 2.402 -13.470 1.00 0.00 C ATOM 2727 O ARG B 530 8.381 2.909 -13.346 1.00 0.00 O ATOM 2728 CB ARG B 530 7.678 0.918 -11.398 1.00 0.00 C ATOM 2729 CG ARG B 530 8.518 -0.191 -12.047 1.00 0.00 C ATOM 2730 CD ARG B 530 9.825 0.345 -12.609 1.00 0.00 C ATOM 2731 NE ARG B 530 10.619 -0.707 -13.254 1.00 0.00 N ATOM 2732 CZ ARG B 530 11.779 -0.504 -13.896 1.00 0.00 C ATOM 2733 NH1 ARG B 530 12.307 0.715 -13.995 1.00 0.00 N ATOM 2734 NH2 ARG B 530 12.413 -1.531 -14.443 1.00 0.00 N ATOM 0 H ARG B 530 4.769 0.599 -12.141 1.00 0.00 H new ATOM 0 HA ARG B 530 6.087 2.349 -11.725 1.00 0.00 H new ATOM 0 HB2 ARG B 530 8.355 1.689 -11.029 1.00 0.00 H new ATOM 0 HB3 ARG B 530 7.169 0.499 -10.530 1.00 0.00 H new ATOM 0 HG2 ARG B 530 8.730 -0.965 -11.309 1.00 0.00 H new ATOM 0 HG3 ARG B 530 7.944 -0.661 -12.846 1.00 0.00 H new ATOM 0 HD2 ARG B 530 9.613 1.133 -13.331 1.00 0.00 H new ATOM 0 HD3 ARG B 530 10.407 0.797 -11.806 1.00 0.00 H new ATOM 0 HE ARG B 530 10.263 -1.662 -13.211 1.00 0.00 H new ATOM 0 HH11 ARG B 530 11.828 1.514 -13.579 1.00 0.00 H new ATOM 0 HH12 ARG B 530 13.190 0.850 -14.487 1.00 0.00 H new ATOM 0 HH21 ARG B 530 12.018 -2.469 -14.374 1.00 0.00 H new ATOM 0 HH22 ARG B 530 13.296 -1.383 -14.933 1.00 0.00 H new ATOM 2748 N LYS B 531 6.516 2.541 -14.579 1.00 0.00 N ATOM 2749 CA LYS B 531 6.987 3.281 -15.756 1.00 0.00 C ATOM 2750 C LYS B 531 6.575 4.752 -15.676 1.00 0.00 C ATOM 2751 O LYS B 531 5.356 5.028 -15.618 1.00 0.00 O ATOM 2752 CB LYS B 531 6.444 2.653 -17.059 1.00 0.00 C ATOM 2753 CG LYS B 531 6.804 1.177 -17.276 1.00 0.00 C ATOM 2754 CD LYS B 531 8.284 0.968 -17.596 1.00 0.00 C ATOM 2755 CE LYS B 531 9.048 0.467 -16.380 1.00 0.00 C ATOM 2756 NZ LYS B 531 10.520 0.493 -16.597 1.00 0.00 N ATOM 2757 OXT LYS B 531 7.476 5.617 -15.672 1.00 0.00 O ATOM 0 H LYS B 531 5.581 2.147 -14.683 1.00 0.00 H new ATOM 0 HA LYS B 531 8.075 3.222 -15.768 1.00 0.00 H new ATOM 0 HB2 LYS B 531 5.358 2.750 -17.064 1.00 0.00 H new ATOM 0 HB3 LYS B 531 6.819 3.229 -17.904 1.00 0.00 H new ATOM 0 HG2 LYS B 531 6.547 0.610 -16.381 1.00 0.00 H new ATOM 0 HG3 LYS B 531 6.201 0.777 -18.091 1.00 0.00 H new ATOM 0 HD2 LYS B 531 8.384 0.252 -18.411 1.00 0.00 H new ATOM 0 HD3 LYS B 531 8.720 1.906 -17.941 1.00 0.00 H new ATOM 0 HE2 LYS B 531 8.798 1.083 -15.516 1.00 0.00 H new ATOM 0 HE3 LYS B 531 8.734 -0.551 -16.148 1.00 0.00 H new ATOM 0 HZ1 LYS B 531 10.923 -0.434 -16.354 1.00 0.00 H new ATOM 0 HZ2 LYS B 531 10.720 0.707 -17.595 1.00 0.00 H new ATOM 0 HZ3 LYS B 531 10.947 1.225 -15.994 1.00 0.00 H new TER 2771 LYS B 531