USER MOD reduce.3.24.130724 H: found=0, std=0, add=1097, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1096 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 GLN : amide:sc= -7.21! K(o=-12!,f=-0.18) USER MOD Set 1.2: A 72 MET CE :methyl -159:sc= -0.493 (180deg=-1.23) USER MOD Set 1.3: A 75 LYS NZ :NH3+ -173:sc= -4.14! (180deg=0.222) USER MOD Set 2.1: A 5 THR OG1 : rot 180:sc= 0.0144 USER MOD Set 2.2: A 8 GLN : amide:sc= 0.602 K(o=0.62,f=-6.6!) USER MOD Single : A 1 ALA N :NH3+ -135:sc= -1.83 (180deg=-2.91!) USER MOD Single : A 3 GLN : amide:sc= -1! K(o=-1!,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 13:sc= 0.709 USER MOD Single : A 21 LYS NZ :NH3+ 151:sc= -0.113 (180deg=-0.896) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -170:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0293 USER MOD Single : A 30 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0588) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -69:sc= 1.07 USER MOD Single : A 42 ASN : amide:sc= -0.514 K(o=-0.51,f=-3.3!) USER MOD Single : A 44 THR OG1 : rot -122:sc= -2.38! USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -1.63! C(o=-1.6!,f=-3.9!) USER MOD Single : A 60 ASN : amide:sc= -1.4 K(o=-1.4,f=-5.4!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -150:sc= -0.564 (180deg=-3.77!) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -175:sc= -1.21 (180deg=-1.41) USER MOD Single : A 79 THR OG1 : rot -24:sc= 1.33 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.108) USER MOD Single : A 97 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.013) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -72:sc= 0.122 USER MOD Single : A 107 HIS : no HD1:sc= -0.0718 X(o=-0.072,f=-0.17) USER MOD Single : A 109 MET CE :methyl 176:sc= -2.89 (180deg=-2.94) USER MOD Single : A 110 THR OG1 : rot 180:sc= -2.15! USER MOD Single : A 111 ASN : amide:sc=-0.00815 X(o=-0.0082,f=0) USER MOD Single : A 115 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.181) USER MOD Single : A 117 THR OG1 : rot -67:sc= 0.103 USER MOD Single : A 124 MET CE :methyl -159:sc= 0 (180deg=-0.152) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 137 ASN : amide:sc= -0.638 K(o=-0.64,f=-1.3!) USER MOD Single : A 138 TYR OH : rot 180:sc= -0.419 USER MOD Single : A 143 GLN : amide:sc= -0.193 K(o=-0.19,f=-2.6!) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl -148:sc= -0.146 (180deg=-1.59) USER MOD Single : A 146 THR OG1 : rot -120:sc= -0.346 USER MOD Single : A 148 LYS NZ :NH3+ 156:sc= -0.0762 (180deg=-0.619) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.719 14.845 -7.677 1.00 3.03 N ATOM 2 CA ALA A 1 14.377 14.409 -8.154 1.00 2.53 C ATOM 3 C ALA A 1 13.667 13.637 -7.038 1.00 2.42 C ATOM 4 O ALA A 1 14.029 13.724 -5.883 1.00 2.75 O ATOM 5 CB ALA A 1 14.540 13.502 -9.376 1.00 2.01 C ATOM 0 H1 ALA A 1 15.877 15.837 -7.945 1.00 3.03 H new ATOM 0 H2 ALA A 1 15.766 14.755 -6.642 1.00 3.03 H new ATOM 0 H3 ALA A 1 16.452 14.248 -8.110 1.00 3.03 H new ATOM 0 HA ALA A 1 13.786 15.283 -8.426 1.00 2.53 H new ATOM 0 HB1 ALA A 1 13.558 13.183 -9.726 1.00 2.01 H new ATOM 0 HB2 ALA A 1 15.048 14.049 -10.170 1.00 2.01 H new ATOM 0 HB3 ALA A 1 15.130 12.627 -9.104 1.00 2.01 H new ATOM 13 N ASP A 2 12.656 12.880 -7.375 1.00 1.99 N ATOM 14 CA ASP A 2 11.921 12.101 -6.336 1.00 1.90 C ATOM 15 C ASP A 2 11.298 10.876 -6.984 1.00 1.45 C ATOM 16 O ASP A 2 10.438 10.219 -6.429 1.00 1.40 O ATOM 17 CB ASP A 2 10.830 12.975 -5.723 1.00 2.29 C ATOM 18 CG ASP A 2 10.323 12.329 -4.432 1.00 2.86 C ATOM 19 OD1 ASP A 2 10.789 11.247 -4.112 1.00 3.69 O ATOM 20 OD2 ASP A 2 9.481 12.929 -3.784 1.00 3.03 O ATOM 0 H ASP A 2 12.307 12.768 -8.327 1.00 1.99 H new ATOM 0 HA ASP A 2 12.609 11.787 -5.551 1.00 1.90 H new ATOM 0 HB2 ASP A 2 11.221 13.971 -5.514 1.00 2.29 H new ATOM 0 HB3 ASP A 2 10.008 13.097 -6.428 1.00 2.29 H new ATOM 25 N GLN A 3 11.735 10.577 -8.158 1.00 1.18 N ATOM 26 CA GLN A 3 11.190 9.391 -8.891 1.00 0.84 C ATOM 27 C GLN A 3 11.456 8.122 -8.084 1.00 0.42 C ATOM 28 O GLN A 3 12.432 8.019 -7.368 1.00 0.44 O ATOM 29 CB GLN A 3 11.838 9.255 -10.277 1.00 0.84 C ATOM 30 CG GLN A 3 11.525 10.507 -11.092 1.00 1.31 C ATOM 31 CD GLN A 3 12.402 10.542 -12.344 1.00 1.42 C ATOM 32 OE1 GLN A 3 12.468 11.547 -13.024 1.00 2.31 O ATOM 33 NE2 GLN A 3 13.083 9.480 -12.680 1.00 0.95 N ATOM 0 H GLN A 3 12.454 11.100 -8.659 1.00 1.18 H new ATOM 0 HA GLN A 3 10.117 9.533 -9.020 1.00 0.84 H new ATOM 0 HB2 GLN A 3 12.916 9.129 -10.179 1.00 0.84 H new ATOM 0 HB3 GLN A 3 11.458 8.369 -10.786 1.00 0.84 H new ATOM 0 HG2 GLN A 3 10.472 10.515 -11.374 1.00 1.31 H new ATOM 0 HG3 GLN A 3 11.700 11.398 -10.489 1.00 1.31 H new ATOM 0 HE21 GLN A 3 13.027 8.637 -12.109 1.00 0.95 H new ATOM 0 HE22 GLN A 3 13.671 9.494 -13.514 1.00 0.95 H new ATOM 42 N LEU A 4 10.591 7.157 -8.201 1.00 0.34 N ATOM 43 CA LEU A 4 10.784 5.884 -7.446 1.00 0.42 C ATOM 44 C LEU A 4 12.023 5.157 -7.971 1.00 0.61 C ATOM 45 O LEU A 4 12.020 4.611 -9.058 1.00 0.75 O ATOM 46 CB LEU A 4 9.561 4.983 -7.630 1.00 0.67 C ATOM 47 CG LEU A 4 8.295 5.689 -7.132 1.00 0.52 C ATOM 48 CD1 LEU A 4 7.090 4.783 -7.392 1.00 0.49 C ATOM 49 CD2 LEU A 4 8.404 5.976 -5.625 1.00 0.39 C ATOM 0 H LEU A 4 9.757 7.192 -8.787 1.00 0.34 H new ATOM 0 HA LEU A 4 10.913 6.114 -6.389 1.00 0.42 H new ATOM 0 HB2 LEU A 4 9.449 4.722 -8.682 1.00 0.67 H new ATOM 0 HB3 LEU A 4 9.703 4.050 -7.084 1.00 0.67 H new ATOM 0 HG LEU A 4 8.176 6.634 -7.661 1.00 0.52 H new ATOM 0 HD11 LEU A 4 6.183 5.275 -7.042 1.00 0.49 H new ATOM 0 HD12 LEU A 4 7.007 4.586 -8.461 1.00 0.49 H new ATOM 0 HD13 LEU A 4 7.221 3.841 -6.859 1.00 0.49 H new ATOM 0 HD21 LEU A 4 7.498 6.478 -5.284 1.00 0.39 H new ATOM 0 HD22 LEU A 4 8.525 5.038 -5.084 1.00 0.39 H new ATOM 0 HD23 LEU A 4 9.266 6.616 -5.438 1.00 0.39 H new ATOM 61 N THR A 5 13.079 5.134 -7.208 1.00 0.65 N ATOM 62 CA THR A 5 14.311 4.433 -7.662 1.00 0.86 C ATOM 63 C THR A 5 14.081 2.919 -7.611 1.00 0.90 C ATOM 64 O THR A 5 13.174 2.441 -6.959 1.00 0.84 O ATOM 65 CB THR A 5 15.477 4.806 -6.743 1.00 0.95 C ATOM 66 OG1 THR A 5 15.050 4.743 -5.390 1.00 0.85 O ATOM 67 CG2 THR A 5 15.949 6.222 -7.069 1.00 1.03 C ATOM 0 H THR A 5 13.142 5.571 -6.288 1.00 0.65 H new ATOM 0 HA THR A 5 14.546 4.731 -8.684 1.00 0.86 H new ATOM 0 HB THR A 5 16.300 4.108 -6.895 1.00 0.95 H new ATOM 0 HG1 THR A 5 15.796 4.980 -4.800 1.00 0.85 H new ATOM 0 HG21 THR A 5 16.779 6.488 -6.415 1.00 1.03 H new ATOM 0 HG22 THR A 5 16.277 6.266 -8.108 1.00 1.03 H new ATOM 0 HG23 THR A 5 15.128 6.923 -6.917 1.00 1.03 H new ATOM 75 N GLU A 6 14.895 2.161 -8.295 1.00 0.99 N ATOM 76 CA GLU A 6 14.719 0.680 -8.289 1.00 1.04 C ATOM 77 C GLU A 6 14.804 0.157 -6.852 1.00 1.01 C ATOM 78 O GLU A 6 14.192 -0.833 -6.505 1.00 0.99 O ATOM 79 CB GLU A 6 15.817 0.031 -9.136 1.00 1.19 C ATOM 80 CG GLU A 6 15.616 0.405 -10.606 1.00 1.87 C ATOM 81 CD GLU A 6 16.544 -0.442 -11.477 1.00 2.03 C ATOM 82 OE1 GLU A 6 17.741 -0.408 -11.243 1.00 1.36 O ATOM 83 OE2 GLU A 6 16.042 -1.110 -12.366 1.00 3.13 O ATOM 0 H GLU A 6 15.674 2.503 -8.858 1.00 0.99 H new ATOM 0 HA GLU A 6 13.743 0.431 -8.706 1.00 1.04 H new ATOM 0 HB2 GLU A 6 16.798 0.364 -8.796 1.00 1.19 H new ATOM 0 HB3 GLU A 6 15.789 -1.052 -9.018 1.00 1.19 H new ATOM 0 HG2 GLU A 6 14.578 0.242 -10.896 1.00 1.87 H new ATOM 0 HG3 GLU A 6 15.826 1.464 -10.755 1.00 1.87 H new ATOM 90 N GLU A 7 15.557 0.814 -6.015 1.00 1.02 N ATOM 91 CA GLU A 7 15.677 0.356 -4.603 1.00 1.03 C ATOM 92 C GLU A 7 14.385 0.684 -3.853 1.00 0.88 C ATOM 93 O GLU A 7 13.817 -0.154 -3.182 1.00 0.84 O ATOM 94 CB GLU A 7 16.851 1.070 -3.931 1.00 1.11 C ATOM 95 CG GLU A 7 18.137 0.789 -4.709 1.00 1.29 C ATOM 96 CD GLU A 7 19.241 1.734 -4.231 1.00 1.52 C ATOM 97 OE1 GLU A 7 19.598 1.656 -3.067 1.00 0.82 O ATOM 98 OE2 GLU A 7 19.713 2.519 -5.038 1.00 2.70 O ATOM 0 H GLU A 7 16.095 1.649 -6.248 1.00 1.02 H new ATOM 0 HA GLU A 7 15.849 -0.720 -4.583 1.00 1.03 H new ATOM 0 HB2 GLU A 7 16.664 2.143 -3.894 1.00 1.11 H new ATOM 0 HB3 GLU A 7 16.955 0.729 -2.901 1.00 1.11 H new ATOM 0 HG2 GLU A 7 18.443 -0.247 -4.564 1.00 1.29 H new ATOM 0 HG3 GLU A 7 17.965 0.924 -5.777 1.00 1.29 H new ATOM 105 N GLN A 8 13.918 1.897 -3.961 1.00 0.80 N ATOM 106 CA GLN A 8 12.662 2.276 -3.254 1.00 0.66 C ATOM 107 C GLN A 8 11.543 1.315 -3.663 1.00 0.56 C ATOM 108 O GLN A 8 10.718 0.933 -2.857 1.00 0.46 O ATOM 109 CB GLN A 8 12.274 3.712 -3.621 1.00 0.62 C ATOM 110 CG GLN A 8 13.173 4.696 -2.867 1.00 0.69 C ATOM 111 CD GLN A 8 13.039 6.090 -3.488 1.00 0.77 C ATOM 112 OE1 GLN A 8 12.611 6.226 -4.617 1.00 0.82 O ATOM 113 NE2 GLN A 8 13.391 7.135 -2.793 1.00 0.83 N ATOM 0 H GLN A 8 14.351 2.642 -4.507 1.00 0.80 H new ATOM 0 HA GLN A 8 12.817 2.215 -2.177 1.00 0.66 H new ATOM 0 HB2 GLN A 8 12.374 3.863 -4.696 1.00 0.62 H new ATOM 0 HB3 GLN A 8 11.229 3.893 -3.369 1.00 0.62 H new ATOM 0 HG2 GLN A 8 12.893 4.727 -1.814 1.00 0.69 H new ATOM 0 HG3 GLN A 8 14.210 4.365 -2.912 1.00 0.69 H new ATOM 0 HE21 GLN A 8 13.750 7.020 -1.845 1.00 0.83 H new ATOM 0 HE22 GLN A 8 13.307 8.068 -3.197 1.00 0.83 H new ATOM 122 N ILE A 9 11.510 0.914 -4.906 1.00 0.59 N ATOM 123 CA ILE A 9 10.445 -0.028 -5.351 1.00 0.53 C ATOM 124 C ILE A 9 10.682 -1.393 -4.702 1.00 0.55 C ATOM 125 O ILE A 9 9.756 -2.081 -4.322 1.00 0.43 O ATOM 126 CB ILE A 9 10.487 -0.165 -6.876 1.00 0.64 C ATOM 127 CG1 ILE A 9 10.095 1.171 -7.511 1.00 0.63 C ATOM 128 CG2 ILE A 9 9.505 -1.253 -7.321 1.00 0.64 C ATOM 129 CD1 ILE A 9 10.334 1.115 -9.022 1.00 0.77 C ATOM 0 H ILE A 9 12.172 1.197 -5.629 1.00 0.59 H new ATOM 0 HA ILE A 9 9.468 0.353 -5.054 1.00 0.53 H new ATOM 0 HB ILE A 9 11.494 -0.439 -7.192 1.00 0.64 H new ATOM 0 HG12 ILE A 9 9.046 1.388 -7.307 1.00 0.63 H new ATOM 0 HG13 ILE A 9 10.679 1.979 -7.071 1.00 0.63 H new ATOM 0 HG21 ILE A 9 9.536 -1.349 -8.406 1.00 0.64 H new ATOM 0 HG22 ILE A 9 9.783 -2.203 -6.864 1.00 0.64 H new ATOM 0 HG23 ILE A 9 8.496 -0.982 -7.009 1.00 0.64 H new ATOM 0 HD11 ILE A 9 10.054 2.068 -9.470 1.00 0.77 H new ATOM 0 HD12 ILE A 9 11.388 0.919 -9.217 1.00 0.77 H new ATOM 0 HD13 ILE A 9 9.730 0.318 -9.457 1.00 0.77 H new ATOM 141 N ALA A 10 11.918 -1.787 -4.573 1.00 0.69 N ATOM 142 CA ALA A 10 12.225 -3.104 -3.952 1.00 0.71 C ATOM 143 C ALA A 10 11.945 -3.044 -2.451 1.00 0.64 C ATOM 144 O ALA A 10 11.523 -4.012 -1.861 1.00 0.58 O ATOM 145 CB ALA A 10 13.700 -3.441 -4.188 1.00 0.89 C ATOM 0 H ALA A 10 12.732 -1.250 -4.873 1.00 0.69 H new ATOM 0 HA ALA A 10 11.598 -3.874 -4.401 1.00 0.71 H new ATOM 0 HB1 ALA A 10 13.930 -4.405 -3.735 1.00 0.89 H new ATOM 0 HB2 ALA A 10 13.896 -3.488 -5.259 1.00 0.89 H new ATOM 0 HB3 ALA A 10 14.326 -2.670 -3.738 1.00 0.89 H new ATOM 151 N GLU A 11 12.168 -1.920 -1.829 1.00 0.68 N ATOM 152 CA GLU A 11 11.907 -1.817 -0.379 1.00 0.67 C ATOM 153 C GLU A 11 10.404 -2.014 -0.151 1.00 0.51 C ATOM 154 O GLU A 11 9.990 -2.816 0.662 1.00 0.55 O ATOM 155 CB GLU A 11 12.399 -0.427 0.087 1.00 0.78 C ATOM 156 CG GLU A 11 11.434 0.194 1.087 1.00 1.18 C ATOM 157 CD GLU A 11 12.085 1.412 1.743 1.00 1.05 C ATOM 158 OE1 GLU A 11 13.289 1.384 1.938 1.00 0.96 O ATOM 159 OE2 GLU A 11 11.369 2.357 2.037 1.00 1.82 O ATOM 0 H GLU A 11 12.521 -1.070 -2.269 1.00 0.68 H new ATOM 0 HA GLU A 11 12.434 -2.577 0.198 1.00 0.67 H new ATOM 0 HB2 GLU A 11 13.386 -0.521 0.541 1.00 0.78 H new ATOM 0 HB3 GLU A 11 12.506 0.231 -0.775 1.00 0.78 H new ATOM 0 HG2 GLU A 11 10.513 0.489 0.584 1.00 1.18 H new ATOM 0 HG3 GLU A 11 11.161 -0.538 1.847 1.00 1.18 H new ATOM 166 N PHE A 12 9.587 -1.297 -0.873 1.00 0.36 N ATOM 167 CA PHE A 12 8.120 -1.461 -0.703 1.00 0.23 C ATOM 168 C PHE A 12 7.735 -2.895 -1.070 1.00 0.14 C ATOM 169 O PHE A 12 6.779 -3.440 -0.552 1.00 0.12 O ATOM 170 CB PHE A 12 7.365 -0.492 -1.623 1.00 0.16 C ATOM 171 CG PHE A 12 7.889 0.935 -1.502 1.00 0.26 C ATOM 172 CD1 PHE A 12 8.291 1.463 -0.261 1.00 0.14 C ATOM 173 CD2 PHE A 12 7.951 1.744 -2.650 1.00 0.60 C ATOM 174 CE1 PHE A 12 8.748 2.783 -0.177 1.00 0.20 C ATOM 175 CE2 PHE A 12 8.410 3.059 -2.558 1.00 0.67 C ATOM 176 CZ PHE A 12 8.808 3.580 -1.323 1.00 0.43 C ATOM 0 H PHE A 12 9.872 -0.608 -1.569 1.00 0.36 H new ATOM 0 HA PHE A 12 7.855 -1.248 0.333 1.00 0.23 H new ATOM 0 HB2 PHE A 12 7.458 -0.826 -2.656 1.00 0.16 H new ATOM 0 HB3 PHE A 12 6.303 -0.511 -1.376 1.00 0.16 H new ATOM 0 HD1 PHE A 12 8.247 0.849 0.627 1.00 0.14 H new ATOM 0 HD2 PHE A 12 7.643 1.347 -3.606 1.00 0.60 H new ATOM 0 HE1 PHE A 12 9.055 3.187 0.776 1.00 0.20 H new ATOM 0 HE2 PHE A 12 8.458 3.676 -3.443 1.00 0.67 H new ATOM 0 HZ PHE A 12 9.162 4.598 -1.255 1.00 0.43 H new ATOM 186 N LYS A 13 8.466 -3.512 -1.955 1.00 0.15 N ATOM 187 CA LYS A 13 8.126 -4.908 -2.340 1.00 0.13 C ATOM 188 C LYS A 13 8.321 -5.827 -1.133 1.00 0.08 C ATOM 189 O LYS A 13 7.450 -6.601 -0.787 1.00 0.15 O ATOM 190 CB LYS A 13 9.022 -5.366 -3.497 1.00 0.25 C ATOM 191 CG LYS A 13 8.768 -6.863 -3.813 1.00 0.23 C ATOM 192 CD LYS A 13 8.854 -7.109 -5.332 1.00 0.44 C ATOM 193 CE LYS A 13 7.518 -6.754 -5.998 1.00 0.57 C ATOM 194 NZ LYS A 13 6.579 -7.902 -5.868 1.00 2.12 N ATOM 0 H LYS A 13 9.278 -3.113 -2.425 1.00 0.15 H new ATOM 0 HA LYS A 13 7.086 -4.951 -2.664 1.00 0.13 H new ATOM 0 HB2 LYS A 13 8.823 -4.761 -4.382 1.00 0.25 H new ATOM 0 HB3 LYS A 13 10.070 -5.215 -3.237 1.00 0.25 H new ATOM 0 HG2 LYS A 13 9.502 -7.481 -3.295 1.00 0.23 H new ATOM 0 HG3 LYS A 13 7.786 -7.158 -3.445 1.00 0.23 H new ATOM 0 HD2 LYS A 13 9.655 -6.507 -5.761 1.00 0.44 H new ATOM 0 HD3 LYS A 13 9.100 -8.153 -5.526 1.00 0.44 H new ATOM 0 HE2 LYS A 13 7.091 -5.866 -5.531 1.00 0.57 H new ATOM 0 HE3 LYS A 13 7.676 -6.516 -7.050 1.00 0.57 H new ATOM 0 HZ1 LYS A 13 5.673 -7.662 -6.319 1.00 2.12 H new ATOM 0 HZ2 LYS A 13 6.987 -8.738 -6.333 1.00 2.12 H new ATOM 0 HZ3 LYS A 13 6.420 -8.108 -4.861 1.00 2.12 H new ATOM 208 N GLU A 14 9.450 -5.749 -0.476 1.00 0.24 N ATOM 209 CA GLU A 14 9.665 -6.625 0.712 1.00 0.25 C ATOM 210 C GLU A 14 8.540 -6.385 1.720 1.00 0.23 C ATOM 211 O GLU A 14 7.991 -7.306 2.290 1.00 0.27 O ATOM 212 CB GLU A 14 11.016 -6.305 1.373 1.00 0.35 C ATOM 213 CG GLU A 14 12.101 -6.065 0.304 1.00 0.40 C ATOM 214 CD GLU A 14 13.464 -6.558 0.808 1.00 0.58 C ATOM 215 OE1 GLU A 14 13.746 -6.362 1.979 1.00 1.23 O ATOM 216 OE2 GLU A 14 14.199 -7.120 0.014 1.00 1.51 O ATOM 0 H GLU A 14 10.223 -5.125 -0.708 1.00 0.24 H new ATOM 0 HA GLU A 14 9.666 -7.667 0.392 1.00 0.25 H new ATOM 0 HB2 GLU A 14 10.918 -5.422 2.004 1.00 0.35 H new ATOM 0 HB3 GLU A 14 11.313 -7.129 2.022 1.00 0.35 H new ATOM 0 HG2 GLU A 14 11.836 -6.586 -0.616 1.00 0.40 H new ATOM 0 HG3 GLU A 14 12.157 -5.003 0.065 1.00 0.40 H new ATOM 223 N ALA A 15 8.205 -5.146 1.945 1.00 0.25 N ATOM 224 CA ALA A 15 7.121 -4.829 2.920 1.00 0.25 C ATOM 225 C ALA A 15 5.778 -5.333 2.382 1.00 0.18 C ATOM 226 O ALA A 15 4.906 -5.729 3.130 1.00 0.23 O ATOM 227 CB ALA A 15 7.052 -3.314 3.131 1.00 0.27 C ATOM 0 H ALA A 15 8.634 -4.337 1.496 1.00 0.25 H new ATOM 0 HA ALA A 15 7.335 -5.320 3.870 1.00 0.25 H new ATOM 0 HB1 ALA A 15 6.260 -3.082 3.843 1.00 0.27 H new ATOM 0 HB2 ALA A 15 8.006 -2.957 3.519 1.00 0.27 H new ATOM 0 HB3 ALA A 15 6.841 -2.824 2.181 1.00 0.27 H new ATOM 233 N PHE A 16 5.607 -5.314 1.090 1.00 0.09 N ATOM 234 CA PHE A 16 4.324 -5.785 0.492 1.00 0.05 C ATOM 235 C PHE A 16 4.239 -7.316 0.549 1.00 0.05 C ATOM 236 O PHE A 16 3.174 -7.881 0.698 1.00 0.10 O ATOM 237 CB PHE A 16 4.265 -5.324 -0.963 1.00 0.07 C ATOM 238 CG PHE A 16 2.871 -5.513 -1.513 1.00 0.12 C ATOM 239 CD1 PHE A 16 1.925 -4.485 -1.403 1.00 0.15 C ATOM 240 CD2 PHE A 16 2.532 -6.709 -2.152 1.00 0.15 C ATOM 241 CE1 PHE A 16 0.641 -4.657 -1.932 1.00 0.20 C ATOM 242 CE2 PHE A 16 1.252 -6.878 -2.686 1.00 0.20 C ATOM 243 CZ PHE A 16 0.306 -5.852 -2.574 1.00 0.22 C ATOM 0 H PHE A 16 6.303 -4.991 0.418 1.00 0.09 H new ATOM 0 HA PHE A 16 3.487 -5.370 1.054 1.00 0.05 H new ATOM 0 HB2 PHE A 16 4.552 -4.275 -1.032 1.00 0.07 H new ATOM 0 HB3 PHE A 16 4.980 -5.890 -1.561 1.00 0.07 H new ATOM 0 HD1 PHE A 16 2.187 -3.560 -0.910 1.00 0.15 H new ATOM 0 HD2 PHE A 16 3.260 -7.503 -2.233 1.00 0.15 H new ATOM 0 HE1 PHE A 16 -0.090 -3.867 -1.844 1.00 0.20 H new ATOM 0 HE2 PHE A 16 0.992 -7.800 -3.185 1.00 0.20 H new ATOM 0 HZ PHE A 16 -0.684 -5.984 -2.984 1.00 0.22 H new ATOM 253 N SER A 17 5.348 -7.990 0.421 1.00 0.15 N ATOM 254 CA SER A 17 5.327 -9.480 0.455 1.00 0.15 C ATOM 255 C SER A 17 5.061 -9.974 1.882 1.00 0.12 C ATOM 256 O SER A 17 4.459 -11.009 2.089 1.00 0.14 O ATOM 257 CB SER A 17 6.677 -10.015 -0.024 1.00 0.21 C ATOM 258 OG SER A 17 7.721 -9.255 0.571 1.00 0.98 O ATOM 0 H SER A 17 6.270 -7.573 0.294 1.00 0.15 H new ATOM 0 HA SER A 17 4.532 -9.840 -0.198 1.00 0.15 H new ATOM 0 HB2 SER A 17 6.780 -11.067 0.243 1.00 0.21 H new ATOM 0 HB3 SER A 17 6.741 -9.954 -1.110 1.00 0.21 H new ATOM 0 HG SER A 17 7.355 -8.711 1.300 1.00 0.98 H new ATOM 264 N LEU A 18 5.518 -9.253 2.867 1.00 0.15 N ATOM 265 CA LEU A 18 5.305 -9.689 4.278 1.00 0.13 C ATOM 266 C LEU A 18 3.830 -10.043 4.511 1.00 0.10 C ATOM 267 O LEU A 18 3.510 -10.801 5.402 1.00 0.08 O ATOM 268 CB LEU A 18 5.719 -8.545 5.227 1.00 0.13 C ATOM 269 CG LEU A 18 7.225 -8.625 5.548 1.00 0.12 C ATOM 270 CD1 LEU A 18 7.644 -7.368 6.327 1.00 0.09 C ATOM 271 CD2 LEU A 18 7.534 -9.886 6.391 1.00 0.16 C ATOM 0 H LEU A 18 6.031 -8.378 2.757 1.00 0.15 H new ATOM 0 HA LEU A 18 5.911 -10.573 4.475 1.00 0.13 H new ATOM 0 HB2 LEU A 18 5.490 -7.583 4.768 1.00 0.13 H new ATOM 0 HB3 LEU A 18 5.141 -8.603 6.149 1.00 0.13 H new ATOM 0 HG LEU A 18 7.784 -8.686 4.614 1.00 0.12 H new ATOM 0 HD11 LEU A 18 8.708 -7.420 6.556 1.00 0.09 H new ATOM 0 HD12 LEU A 18 7.446 -6.483 5.723 1.00 0.09 H new ATOM 0 HD13 LEU A 18 7.075 -7.309 7.255 1.00 0.09 H new ATOM 0 HD21 LEU A 18 8.601 -9.926 6.608 1.00 0.16 H new ATOM 0 HD22 LEU A 18 6.975 -9.845 7.326 1.00 0.16 H new ATOM 0 HD23 LEU A 18 7.244 -10.776 5.834 1.00 0.16 H new ATOM 283 N PHE A 19 2.929 -9.484 3.735 1.00 0.12 N ATOM 284 CA PHE A 19 1.467 -9.772 3.934 1.00 0.09 C ATOM 285 C PHE A 19 0.869 -10.413 2.680 1.00 0.09 C ATOM 286 O PHE A 19 -0.333 -10.431 2.496 1.00 0.08 O ATOM 287 CB PHE A 19 0.757 -8.459 4.239 1.00 0.08 C ATOM 288 CG PHE A 19 1.377 -7.858 5.472 1.00 0.09 C ATOM 289 CD1 PHE A 19 2.565 -7.123 5.368 1.00 0.11 C ATOM 290 CD2 PHE A 19 0.775 -8.046 6.721 1.00 0.11 C ATOM 291 CE1 PHE A 19 3.150 -6.574 6.514 1.00 0.12 C ATOM 292 CE2 PHE A 19 1.359 -7.496 7.868 1.00 0.13 C ATOM 293 CZ PHE A 19 2.547 -6.760 7.765 1.00 0.14 C ATOM 0 H PHE A 19 3.141 -8.841 2.972 1.00 0.12 H new ATOM 0 HA PHE A 19 1.340 -10.470 4.761 1.00 0.09 H new ATOM 0 HB2 PHE A 19 0.849 -7.774 3.396 1.00 0.08 H new ATOM 0 HB3 PHE A 19 -0.308 -8.631 4.396 1.00 0.08 H new ATOM 0 HD1 PHE A 19 3.029 -6.980 4.403 1.00 0.11 H new ATOM 0 HD2 PHE A 19 -0.140 -8.615 6.800 1.00 0.11 H new ATOM 0 HE1 PHE A 19 4.066 -6.007 6.435 1.00 0.12 H new ATOM 0 HE2 PHE A 19 0.894 -7.639 8.832 1.00 0.13 H new ATOM 0 HZ PHE A 19 2.998 -6.336 8.650 1.00 0.14 H new ATOM 303 N ASP A 20 1.693 -10.957 1.822 1.00 0.11 N ATOM 304 CA ASP A 20 1.178 -11.618 0.583 1.00 0.12 C ATOM 305 C ASP A 20 1.153 -13.137 0.806 1.00 0.13 C ATOM 306 O ASP A 20 1.933 -13.873 0.235 1.00 0.17 O ATOM 307 CB ASP A 20 2.109 -11.303 -0.589 1.00 0.16 C ATOM 308 CG ASP A 20 1.596 -11.996 -1.851 1.00 0.18 C ATOM 309 OD1 ASP A 20 0.398 -11.967 -2.074 1.00 1.09 O ATOM 310 OD2 ASP A 20 2.411 -12.546 -2.574 1.00 1.09 O ATOM 0 H ASP A 20 2.708 -10.972 1.926 1.00 0.11 H new ATOM 0 HA ASP A 20 0.175 -11.253 0.361 1.00 0.12 H new ATOM 0 HB2 ASP A 20 2.159 -10.226 -0.748 1.00 0.16 H new ATOM 0 HB3 ASP A 20 3.121 -11.639 -0.363 1.00 0.16 H new ATOM 315 N LYS A 21 0.276 -13.606 1.651 1.00 0.12 N ATOM 316 CA LYS A 21 0.208 -15.073 1.940 1.00 0.17 C ATOM 317 C LYS A 21 -0.547 -15.813 0.838 1.00 0.10 C ATOM 318 O LYS A 21 -0.787 -17.001 0.931 1.00 0.06 O ATOM 319 CB LYS A 21 -0.527 -15.281 3.257 1.00 0.26 C ATOM 320 CG LYS A 21 0.217 -14.561 4.392 1.00 0.35 C ATOM 321 CD LYS A 21 1.458 -15.361 4.811 1.00 0.45 C ATOM 322 CE LYS A 21 1.973 -14.835 6.152 1.00 0.52 C ATOM 323 NZ LYS A 21 0.967 -15.116 7.215 1.00 0.88 N ATOM 0 H LYS A 21 -0.401 -13.036 2.158 1.00 0.12 H new ATOM 0 HA LYS A 21 1.224 -15.464 1.994 1.00 0.17 H new ATOM 0 HB2 LYS A 21 -1.545 -14.900 3.179 1.00 0.26 H new ATOM 0 HB3 LYS A 21 -0.601 -16.346 3.478 1.00 0.26 H new ATOM 0 HG2 LYS A 21 0.512 -13.564 4.066 1.00 0.35 H new ATOM 0 HG3 LYS A 21 -0.447 -14.433 5.247 1.00 0.35 H new ATOM 0 HD2 LYS A 21 1.211 -16.419 4.894 1.00 0.45 H new ATOM 0 HD3 LYS A 21 2.234 -15.273 4.051 1.00 0.45 H new ATOM 0 HE2 LYS A 21 2.922 -15.309 6.400 1.00 0.52 H new ATOM 0 HE3 LYS A 21 2.159 -13.763 6.087 1.00 0.52 H new ATOM 0 HZ1 LYS A 21 1.450 -15.231 8.129 1.00 0.88 H new ATOM 0 HZ2 LYS A 21 0.296 -14.324 7.276 1.00 0.88 H new ATOM 0 HZ3 LYS A 21 0.452 -15.989 6.983 1.00 0.88 H new ATOM 337 N ASP A 22 -0.922 -15.124 -0.191 1.00 0.11 N ATOM 338 CA ASP A 22 -1.677 -15.773 -1.309 1.00 0.08 C ATOM 339 C ASP A 22 -0.719 -16.087 -2.461 1.00 0.04 C ATOM 340 O ASP A 22 -1.125 -16.545 -3.512 1.00 0.10 O ATOM 341 CB ASP A 22 -2.762 -14.816 -1.803 1.00 0.15 C ATOM 342 CG ASP A 22 -3.799 -14.613 -0.697 1.00 0.08 C ATOM 343 OD1 ASP A 22 -4.327 -15.603 -0.218 1.00 0.82 O ATOM 344 OD2 ASP A 22 -4.049 -13.471 -0.349 1.00 0.91 O ATOM 0 H ASP A 22 -0.741 -14.128 -0.316 1.00 0.11 H new ATOM 0 HA ASP A 22 -2.132 -16.697 -0.953 1.00 0.08 H new ATOM 0 HB2 ASP A 22 -2.320 -13.860 -2.083 1.00 0.15 H new ATOM 0 HB3 ASP A 22 -3.240 -15.219 -2.696 1.00 0.15 H new ATOM 349 N GLY A 23 0.552 -15.851 -2.276 1.00 0.08 N ATOM 350 CA GLY A 23 1.532 -16.140 -3.360 1.00 0.14 C ATOM 351 C GLY A 23 1.039 -15.518 -4.664 1.00 0.06 C ATOM 352 O GLY A 23 1.533 -15.814 -5.733 1.00 0.06 O ATOM 0 H GLY A 23 0.954 -15.470 -1.419 1.00 0.08 H new ATOM 0 HA2 GLY A 23 2.510 -15.737 -3.098 1.00 0.14 H new ATOM 0 HA3 GLY A 23 1.652 -17.217 -3.480 1.00 0.14 H new ATOM 356 N ASP A 24 0.058 -14.659 -4.579 1.00 0.06 N ATOM 357 CA ASP A 24 -0.490 -14.011 -5.812 1.00 0.01 C ATOM 358 C ASP A 24 0.096 -12.606 -5.963 1.00 0.07 C ATOM 359 O ASP A 24 -0.142 -11.930 -6.944 1.00 0.11 O ATOM 360 CB ASP A 24 -2.011 -13.911 -5.696 1.00 0.03 C ATOM 361 CG ASP A 24 -2.597 -13.468 -7.037 1.00 0.12 C ATOM 362 OD1 ASP A 24 -2.063 -13.873 -8.057 1.00 1.09 O ATOM 363 OD2 ASP A 24 -3.572 -12.734 -7.023 1.00 1.15 O ATOM 0 H ASP A 24 -0.390 -14.376 -3.708 1.00 0.06 H new ATOM 0 HA ASP A 24 -0.223 -14.610 -6.683 1.00 0.01 H new ATOM 0 HB2 ASP A 24 -2.428 -14.875 -5.405 1.00 0.03 H new ATOM 0 HB3 ASP A 24 -2.281 -13.199 -4.916 1.00 0.03 H new ATOM 368 N GLY A 25 0.864 -12.160 -5.007 1.00 0.18 N ATOM 369 CA GLY A 25 1.463 -10.800 -5.113 1.00 0.24 C ATOM 370 C GLY A 25 0.405 -9.739 -4.778 1.00 0.24 C ATOM 371 O GLY A 25 0.433 -8.648 -5.312 1.00 0.23 O ATOM 0 H GLY A 25 1.102 -12.676 -4.160 1.00 0.18 H new ATOM 0 HA2 GLY A 25 2.309 -10.711 -4.432 1.00 0.24 H new ATOM 0 HA3 GLY A 25 1.847 -10.639 -6.120 1.00 0.24 H new ATOM 375 N THR A 26 -0.535 -10.037 -3.901 1.00 0.24 N ATOM 376 CA THR A 26 -1.584 -9.030 -3.546 1.00 0.23 C ATOM 377 C THR A 26 -1.866 -9.081 -2.042 1.00 0.23 C ATOM 378 O THR A 26 -1.473 -10.002 -1.356 1.00 0.24 O ATOM 379 CB THR A 26 -2.872 -9.336 -4.311 1.00 0.21 C ATOM 380 OG1 THR A 26 -3.419 -10.559 -3.837 1.00 0.25 O ATOM 381 CG2 THR A 26 -2.568 -9.451 -5.806 1.00 0.21 C ATOM 0 H THR A 26 -0.616 -10.933 -3.420 1.00 0.24 H new ATOM 0 HA THR A 26 -1.227 -8.036 -3.815 1.00 0.23 H new ATOM 0 HB THR A 26 -3.590 -8.531 -4.154 1.00 0.21 H new ATOM 0 HG1 THR A 26 -4.246 -10.758 -4.324 1.00 0.25 H new ATOM 0 HG21 THR A 26 -3.488 -9.669 -6.349 1.00 0.21 H new ATOM 0 HG22 THR A 26 -2.149 -8.511 -6.165 1.00 0.21 H new ATOM 0 HG23 THR A 26 -1.850 -10.255 -5.971 1.00 0.21 H new ATOM 389 N ILE A 27 -2.556 -8.093 -1.529 1.00 0.23 N ATOM 390 CA ILE A 27 -2.885 -8.066 -0.070 1.00 0.23 C ATOM 391 C ILE A 27 -4.314 -7.553 0.098 1.00 0.23 C ATOM 392 O ILE A 27 -4.889 -6.994 -0.816 1.00 0.22 O ATOM 393 CB ILE A 27 -1.906 -7.138 0.666 1.00 0.22 C ATOM 394 CG1 ILE A 27 -2.008 -5.712 0.094 1.00 0.23 C ATOM 395 CG2 ILE A 27 -0.478 -7.667 0.487 1.00 0.21 C ATOM 396 CD1 ILE A 27 -1.066 -4.775 0.856 1.00 0.23 C ATOM 0 H ILE A 27 -2.908 -7.298 -2.062 1.00 0.23 H new ATOM 0 HA ILE A 27 -2.800 -9.068 0.350 1.00 0.23 H new ATOM 0 HB ILE A 27 -2.156 -7.113 1.727 1.00 0.22 H new ATOM 0 HG12 ILE A 27 -1.751 -5.717 -0.965 1.00 0.23 H new ATOM 0 HG13 ILE A 27 -3.034 -5.352 0.172 1.00 0.23 H new ATOM 0 HG21 ILE A 27 0.221 -7.012 1.007 1.00 0.21 H new ATOM 0 HG22 ILE A 27 -0.408 -8.673 0.900 1.00 0.21 H new ATOM 0 HG23 ILE A 27 -0.230 -7.692 -0.574 1.00 0.21 H new ATOM 0 HD11 ILE A 27 -1.144 -3.768 0.446 1.00 0.23 H new ATOM 0 HD12 ILE A 27 -1.343 -4.759 1.910 1.00 0.23 H new ATOM 0 HD13 ILE A 27 -0.040 -5.130 0.755 1.00 0.23 H new ATOM 408 N THR A 28 -4.900 -7.727 1.251 1.00 0.23 N ATOM 409 CA THR A 28 -6.291 -7.234 1.455 1.00 0.23 C ATOM 410 C THR A 28 -6.265 -5.786 1.928 1.00 0.19 C ATOM 411 O THR A 28 -5.245 -5.267 2.332 1.00 0.17 O ATOM 412 CB THR A 28 -6.994 -8.068 2.521 1.00 0.27 C ATOM 413 OG1 THR A 28 -6.678 -7.553 3.810 1.00 0.27 O ATOM 414 CG2 THR A 28 -6.536 -9.521 2.429 1.00 0.32 C ATOM 0 H THR A 28 -4.478 -8.187 2.057 1.00 0.23 H new ATOM 0 HA THR A 28 -6.823 -7.313 0.507 1.00 0.23 H new ATOM 0 HB THR A 28 -8.071 -8.020 2.361 1.00 0.27 H new ATOM 0 HG1 THR A 28 -6.996 -8.175 4.498 1.00 0.27 H new ATOM 0 HG21 THR A 28 -7.042 -10.111 3.193 1.00 0.32 H new ATOM 0 HG22 THR A 28 -6.780 -9.918 1.444 1.00 0.32 H new ATOM 0 HG23 THR A 28 -5.458 -9.573 2.585 1.00 0.32 H new ATOM 422 N THR A 29 -7.393 -5.136 1.897 1.00 0.19 N ATOM 423 CA THR A 29 -7.454 -3.729 2.361 1.00 0.16 C ATOM 424 C THR A 29 -7.269 -3.692 3.880 1.00 0.20 C ATOM 425 O THR A 29 -6.764 -2.736 4.433 1.00 0.20 O ATOM 426 CB THR A 29 -8.826 -3.154 2.006 1.00 0.15 C ATOM 427 OG1 THR A 29 -9.831 -4.096 2.348 1.00 0.25 O ATOM 428 CG2 THR A 29 -8.901 -2.855 0.505 1.00 0.15 C ATOM 0 H THR A 29 -8.278 -5.523 1.568 1.00 0.19 H new ATOM 0 HA THR A 29 -6.669 -3.143 1.883 1.00 0.16 H new ATOM 0 HB THR A 29 -8.979 -2.229 2.561 1.00 0.15 H new ATOM 0 HG1 THR A 29 -10.712 -3.730 2.123 1.00 0.25 H new ATOM 0 HG21 THR A 29 -9.882 -2.446 0.264 1.00 0.15 H new ATOM 0 HG22 THR A 29 -8.131 -2.131 0.239 1.00 0.15 H new ATOM 0 HG23 THR A 29 -8.743 -3.775 -0.058 1.00 0.15 H new ATOM 436 N LYS A 30 -7.688 -4.726 4.558 1.00 0.24 N ATOM 437 CA LYS A 30 -7.554 -4.756 6.041 1.00 0.28 C ATOM 438 C LYS A 30 -6.078 -4.743 6.442 1.00 0.26 C ATOM 439 O LYS A 30 -5.729 -4.318 7.525 1.00 0.27 O ATOM 440 CB LYS A 30 -8.221 -6.025 6.586 1.00 0.35 C ATOM 441 CG LYS A 30 -9.720 -6.027 6.239 1.00 0.30 C ATOM 442 CD LYS A 30 -10.508 -5.216 7.277 1.00 2.10 C ATOM 443 CE LYS A 30 -12.005 -5.326 6.984 1.00 2.20 C ATOM 444 NZ LYS A 30 -12.339 -4.501 5.788 1.00 3.52 N ATOM 0 H LYS A 30 -8.119 -5.554 4.146 1.00 0.24 H new ATOM 0 HA LYS A 30 -8.040 -3.874 6.459 1.00 0.28 H new ATOM 0 HB2 LYS A 30 -7.741 -6.907 6.163 1.00 0.35 H new ATOM 0 HB3 LYS A 30 -8.090 -6.078 7.667 1.00 0.35 H new ATOM 0 HG2 LYS A 30 -9.871 -5.604 5.246 1.00 0.30 H new ATOM 0 HG3 LYS A 30 -10.092 -7.051 6.209 1.00 0.30 H new ATOM 0 HD2 LYS A 30 -10.295 -5.586 8.280 1.00 2.10 H new ATOM 0 HD3 LYS A 30 -10.197 -4.172 7.250 1.00 2.10 H new ATOM 0 HE2 LYS A 30 -12.277 -6.367 6.808 1.00 2.20 H new ATOM 0 HE3 LYS A 30 -12.581 -4.987 7.845 1.00 2.20 H new ATOM 0 HZ1 LYS A 30 -13.371 -4.479 5.658 1.00 3.52 H new ATOM 0 HZ2 LYS A 30 -11.987 -3.532 5.925 1.00 3.52 H new ATOM 0 HZ3 LYS A 30 -11.893 -4.915 4.945 1.00 3.52 H new ATOM 458 N GLU A 31 -5.205 -5.203 5.582 1.00 0.23 N ATOM 459 CA GLU A 31 -3.742 -5.213 5.926 1.00 0.22 C ATOM 460 C GLU A 31 -3.053 -4.021 5.264 1.00 0.17 C ATOM 461 O GLU A 31 -1.843 -3.958 5.196 1.00 0.10 O ATOM 462 CB GLU A 31 -3.097 -6.505 5.417 1.00 0.23 C ATOM 463 CG GLU A 31 -3.838 -7.713 5.991 1.00 0.30 C ATOM 464 CD GLU A 31 -3.373 -8.984 5.277 1.00 0.33 C ATOM 465 OE1 GLU A 31 -3.605 -9.089 4.083 1.00 0.45 O ATOM 466 OE2 GLU A 31 -2.794 -9.832 5.937 1.00 0.39 O ATOM 0 H GLU A 31 -5.436 -5.571 4.659 1.00 0.23 H new ATOM 0 HA GLU A 31 -3.632 -5.151 7.009 1.00 0.22 H new ATOM 0 HB2 GLU A 31 -3.126 -6.533 4.328 1.00 0.23 H new ATOM 0 HB3 GLU A 31 -2.047 -6.538 5.709 1.00 0.23 H new ATOM 0 HG2 GLU A 31 -3.648 -7.794 7.061 1.00 0.30 H new ATOM 0 HG3 GLU A 31 -4.913 -7.586 5.867 1.00 0.30 H new ATOM 473 N LEU A 32 -3.804 -3.079 4.774 1.00 0.22 N ATOM 474 CA LEU A 32 -3.173 -1.904 4.118 1.00 0.18 C ATOM 475 C LEU A 32 -2.514 -1.016 5.177 1.00 0.18 C ATOM 476 O LEU A 32 -1.366 -0.635 5.050 1.00 0.17 O ATOM 477 CB LEU A 32 -4.242 -1.110 3.356 1.00 0.16 C ATOM 478 CG LEU A 32 -3.642 0.171 2.762 1.00 0.09 C ATOM 479 CD1 LEU A 32 -2.421 -0.166 1.895 1.00 0.10 C ATOM 480 CD2 LEU A 32 -4.704 0.865 1.907 1.00 0.10 C ATOM 0 H LEU A 32 -4.824 -3.071 4.799 1.00 0.22 H new ATOM 0 HA LEU A 32 -2.411 -2.243 3.416 1.00 0.18 H new ATOM 0 HB2 LEU A 32 -4.661 -1.725 2.560 1.00 0.16 H new ATOM 0 HB3 LEU A 32 -5.062 -0.856 4.028 1.00 0.16 H new ATOM 0 HG LEU A 32 -3.324 0.830 3.570 1.00 0.09 H new ATOM 0 HD11 LEU A 32 -2.005 0.752 1.480 1.00 0.10 H new ATOM 0 HD12 LEU A 32 -1.667 -0.662 2.506 1.00 0.10 H new ATOM 0 HD13 LEU A 32 -2.723 -0.827 1.083 1.00 0.10 H new ATOM 0 HD21 LEU A 32 -4.288 1.777 1.480 1.00 0.10 H new ATOM 0 HD22 LEU A 32 -5.017 0.198 1.104 1.00 0.10 H new ATOM 0 HD23 LEU A 32 -5.565 1.115 2.528 1.00 0.10 H new ATOM 492 N GLY A 33 -3.223 -0.682 6.222 1.00 0.19 N ATOM 493 CA GLY A 33 -2.622 0.178 7.279 1.00 0.20 C ATOM 494 C GLY A 33 -1.489 -0.582 7.970 1.00 0.21 C ATOM 495 O GLY A 33 -0.587 0.007 8.530 1.00 0.21 O ATOM 0 H GLY A 33 -4.188 -0.967 6.388 1.00 0.19 H new ATOM 0 HA2 GLY A 33 -2.241 1.100 6.840 1.00 0.20 H new ATOM 0 HA3 GLY A 33 -3.381 0.462 8.008 1.00 0.20 H new ATOM 499 N THR A 34 -1.526 -1.887 7.937 1.00 0.21 N ATOM 500 CA THR A 34 -0.446 -2.673 8.594 1.00 0.22 C ATOM 501 C THR A 34 0.839 -2.562 7.774 1.00 0.19 C ATOM 502 O THR A 34 1.915 -2.398 8.311 1.00 0.19 O ATOM 503 CB THR A 34 -0.867 -4.141 8.700 1.00 0.25 C ATOM 504 OG1 THR A 34 -2.214 -4.213 9.148 1.00 0.29 O ATOM 505 CG2 THR A 34 0.044 -4.864 9.695 1.00 0.22 C ATOM 0 H THR A 34 -2.255 -2.440 7.485 1.00 0.21 H new ATOM 0 HA THR A 34 -0.270 -2.278 9.595 1.00 0.22 H new ATOM 0 HB THR A 34 -0.783 -4.616 7.723 1.00 0.25 H new ATOM 0 HG1 THR A 34 -2.487 -5.152 9.215 1.00 0.29 H new ATOM 0 HG21 THR A 34 -0.256 -5.909 9.770 1.00 0.22 H new ATOM 0 HG22 THR A 34 1.077 -4.807 9.351 1.00 0.22 H new ATOM 0 HG23 THR A 34 -0.039 -4.392 10.674 1.00 0.22 H new ATOM 513 N VAL A 35 0.738 -2.638 6.475 1.00 0.17 N ATOM 514 CA VAL A 35 1.960 -2.523 5.631 1.00 0.15 C ATOM 515 C VAL A 35 2.517 -1.106 5.776 1.00 0.13 C ATOM 516 O VAL A 35 3.698 -0.906 5.984 1.00 0.09 O ATOM 517 CB VAL A 35 1.602 -2.795 4.168 1.00 0.14 C ATOM 518 CG1 VAL A 35 2.832 -2.570 3.286 1.00 0.14 C ATOM 519 CG2 VAL A 35 1.139 -4.246 4.021 1.00 0.17 C ATOM 0 H VAL A 35 -0.134 -2.774 5.964 1.00 0.17 H new ATOM 0 HA VAL A 35 2.707 -3.250 5.950 1.00 0.15 H new ATOM 0 HB VAL A 35 0.804 -2.119 3.861 1.00 0.14 H new ATOM 0 HG11 VAL A 35 2.574 -2.765 2.245 1.00 0.14 H new ATOM 0 HG12 VAL A 35 3.170 -1.539 3.389 1.00 0.14 H new ATOM 0 HG13 VAL A 35 3.629 -3.246 3.594 1.00 0.14 H new ATOM 0 HG21 VAL A 35 0.883 -4.443 2.980 1.00 0.17 H new ATOM 0 HG22 VAL A 35 1.940 -4.917 4.331 1.00 0.17 H new ATOM 0 HG23 VAL A 35 0.263 -4.414 4.648 1.00 0.17 H new ATOM 529 N MET A 36 1.666 -0.120 5.682 1.00 0.15 N ATOM 530 CA MET A 36 2.132 1.284 5.829 1.00 0.13 C ATOM 531 C MET A 36 2.831 1.435 7.183 1.00 0.12 C ATOM 532 O MET A 36 3.829 2.118 7.306 1.00 0.11 O ATOM 533 CB MET A 36 0.918 2.222 5.767 1.00 0.18 C ATOM 534 CG MET A 36 0.461 2.414 4.303 1.00 0.20 C ATOM 535 SD MET A 36 1.164 3.946 3.638 1.00 0.48 S ATOM 536 CE MET A 36 0.205 3.989 2.104 1.00 0.24 C ATOM 0 H MET A 36 0.667 -0.229 5.509 1.00 0.15 H new ATOM 0 HA MET A 36 2.828 1.536 5.029 1.00 0.13 H new ATOM 0 HB2 MET A 36 0.101 1.809 6.359 1.00 0.18 H new ATOM 0 HB3 MET A 36 1.173 3.187 6.205 1.00 0.18 H new ATOM 0 HG2 MET A 36 0.779 1.565 3.699 1.00 0.20 H new ATOM 0 HG3 MET A 36 -0.627 2.451 4.254 1.00 0.20 H new ATOM 0 HE1 MET A 36 0.483 4.870 1.526 1.00 0.24 H new ATOM 0 HE2 MET A 36 0.412 3.092 1.520 1.00 0.24 H new ATOM 0 HE3 MET A 36 -0.858 4.031 2.341 1.00 0.24 H new ATOM 546 N ARG A 37 2.315 0.796 8.201 1.00 0.17 N ATOM 547 CA ARG A 37 2.949 0.897 9.547 1.00 0.17 C ATOM 548 C ARG A 37 4.356 0.301 9.488 1.00 0.15 C ATOM 549 O ARG A 37 5.243 0.705 10.212 1.00 0.15 O ATOM 550 CB ARG A 37 2.100 0.119 10.565 1.00 0.20 C ATOM 551 CG ARG A 37 0.880 0.963 10.997 1.00 0.20 C ATOM 552 CD ARG A 37 1.256 1.864 12.181 1.00 1.36 C ATOM 553 NE ARG A 37 1.316 1.047 13.426 1.00 1.42 N ATOM 554 CZ ARG A 37 1.893 1.525 14.495 1.00 2.65 C ATOM 555 NH1 ARG A 37 2.414 2.721 14.472 1.00 3.88 N ATOM 556 NH2 ARG A 37 1.948 0.808 15.582 1.00 2.72 N ATOM 0 H ARG A 37 1.482 0.209 8.157 1.00 0.17 H new ATOM 0 HA ARG A 37 3.011 1.942 9.849 1.00 0.17 H new ATOM 0 HB2 ARG A 37 1.765 -0.821 10.127 1.00 0.20 H new ATOM 0 HB3 ARG A 37 2.704 -0.133 11.437 1.00 0.20 H new ATOM 0 HG2 ARG A 37 0.535 1.572 10.162 1.00 0.20 H new ATOM 0 HG3 ARG A 37 0.055 0.308 11.276 1.00 0.20 H new ATOM 0 HD2 ARG A 37 2.220 2.340 11.998 1.00 1.36 H new ATOM 0 HD3 ARG A 37 0.522 2.662 12.292 1.00 1.36 H new ATOM 0 HE ARG A 37 0.906 0.113 13.443 1.00 1.42 H new ATOM 0 HH11 ARG A 37 2.370 3.280 13.620 1.00 3.88 H new ATOM 0 HH12 ARG A 37 2.865 3.097 15.306 1.00 3.88 H new ATOM 0 HH21 ARG A 37 1.540 -0.127 15.598 1.00 2.72 H new ATOM 0 HH22 ARG A 37 2.399 1.182 16.417 1.00 2.72 H new ATOM 570 N SER A 38 4.568 -0.659 8.630 1.00 0.15 N ATOM 571 CA SER A 38 5.917 -1.281 8.525 1.00 0.16 C ATOM 572 C SER A 38 6.913 -0.244 8.006 1.00 0.17 C ATOM 573 O SER A 38 8.073 -0.246 8.365 1.00 0.21 O ATOM 574 CB SER A 38 5.862 -2.465 7.559 1.00 0.15 C ATOM 575 OG SER A 38 5.949 -1.985 6.223 1.00 0.17 O ATOM 0 H SER A 38 3.864 -1.039 7.997 1.00 0.15 H new ATOM 0 HA SER A 38 6.234 -1.632 9.507 1.00 0.16 H new ATOM 0 HB2 SER A 38 6.681 -3.155 7.764 1.00 0.15 H new ATOM 0 HB3 SER A 38 4.935 -3.020 7.699 1.00 0.15 H new ATOM 0 HG SER A 38 5.128 -1.501 5.995 1.00 0.17 H new ATOM 581 N LEU A 39 6.467 0.643 7.159 1.00 0.15 N ATOM 582 CA LEU A 39 7.386 1.680 6.609 1.00 0.18 C ATOM 583 C LEU A 39 7.492 2.849 7.595 1.00 0.22 C ATOM 584 O LEU A 39 8.162 3.829 7.339 1.00 0.26 O ATOM 585 CB LEU A 39 6.843 2.183 5.271 1.00 0.16 C ATOM 586 CG LEU A 39 6.584 0.990 4.343 1.00 0.16 C ATOM 587 CD1 LEU A 39 5.898 1.478 3.064 1.00 0.13 C ATOM 588 CD2 LEU A 39 7.914 0.303 3.982 1.00 0.27 C ATOM 0 H LEU A 39 5.505 0.695 6.824 1.00 0.15 H new ATOM 0 HA LEU A 39 8.375 1.246 6.459 1.00 0.18 H new ATOM 0 HB2 LEU A 39 5.921 2.742 5.428 1.00 0.16 H new ATOM 0 HB3 LEU A 39 7.556 2.867 4.811 1.00 0.16 H new ATOM 0 HG LEU A 39 5.941 0.274 4.854 1.00 0.16 H new ATOM 0 HD11 LEU A 39 5.714 0.630 2.404 1.00 0.13 H new ATOM 0 HD12 LEU A 39 4.950 1.953 3.318 1.00 0.13 H new ATOM 0 HD13 LEU A 39 6.541 2.198 2.558 1.00 0.13 H new ATOM 0 HD21 LEU A 39 7.719 -0.543 3.323 1.00 0.27 H new ATOM 0 HD22 LEU A 39 8.566 1.015 3.476 1.00 0.27 H new ATOM 0 HD23 LEU A 39 8.400 -0.050 4.892 1.00 0.27 H new ATOM 600 N GLY A 40 6.848 2.747 8.728 1.00 0.21 N ATOM 601 CA GLY A 40 6.925 3.848 9.736 1.00 0.25 C ATOM 602 C GLY A 40 5.869 4.917 9.442 1.00 0.25 C ATOM 603 O GLY A 40 5.930 6.014 9.961 1.00 0.24 O ATOM 0 H GLY A 40 6.272 1.950 9.000 1.00 0.21 H new ATOM 0 HA2 GLY A 40 6.774 3.444 10.737 1.00 0.25 H new ATOM 0 HA3 GLY A 40 7.919 4.296 9.720 1.00 0.25 H new ATOM 607 N GLN A 41 4.895 4.607 8.624 1.00 0.26 N ATOM 608 CA GLN A 41 3.823 5.604 8.303 1.00 0.27 C ATOM 609 C GLN A 41 2.561 5.249 9.094 1.00 0.30 C ATOM 610 O GLN A 41 2.253 4.091 9.287 1.00 0.34 O ATOM 611 CB GLN A 41 3.522 5.557 6.803 1.00 0.32 C ATOM 612 CG GLN A 41 4.703 6.151 6.031 1.00 0.38 C ATOM 613 CD GLN A 41 4.410 6.106 4.531 1.00 1.18 C ATOM 614 OE1 GLN A 41 5.294 5.859 3.736 1.00 2.01 O ATOM 615 NE2 GLN A 41 3.198 6.335 4.106 1.00 2.02 N ATOM 0 H GLN A 41 4.794 3.703 8.162 1.00 0.26 H new ATOM 0 HA GLN A 41 4.153 6.607 8.572 1.00 0.27 H new ATOM 0 HB2 GLN A 41 3.347 4.528 6.488 1.00 0.32 H new ATOM 0 HB3 GLN A 41 2.612 6.116 6.585 1.00 0.32 H new ATOM 0 HG2 GLN A 41 4.877 7.180 6.347 1.00 0.38 H new ATOM 0 HG3 GLN A 41 5.612 5.592 6.251 1.00 0.38 H new ATOM 0 HE21 GLN A 41 2.454 6.543 4.773 1.00 2.02 H new ATOM 0 HE22 GLN A 41 2.994 6.306 3.107 1.00 2.02 H new ATOM 624 N ASN A 42 1.835 6.233 9.567 1.00 0.28 N ATOM 625 CA ASN A 42 0.598 5.948 10.366 1.00 0.32 C ATOM 626 C ASN A 42 -0.542 6.886 9.934 1.00 0.32 C ATOM 627 O ASN A 42 -0.863 7.818 10.644 1.00 0.30 O ATOM 628 CB ASN A 42 0.900 6.183 11.847 1.00 0.31 C ATOM 629 CG ASN A 42 -0.305 5.753 12.688 1.00 0.36 C ATOM 630 OD1 ASN A 42 -1.319 5.348 12.155 1.00 1.24 O ATOM 631 ND2 ASN A 42 -0.235 5.824 13.990 1.00 0.62 N ATOM 0 H ASN A 42 2.044 7.222 9.435 1.00 0.28 H new ATOM 0 HA ASN A 42 0.294 4.915 10.198 1.00 0.32 H new ATOM 0 HB2 ASN A 42 1.784 5.618 12.143 1.00 0.31 H new ATOM 0 HB3 ASN A 42 1.122 7.236 12.021 1.00 0.31 H new ATOM 0 HD21 ASN A 42 -1.032 5.539 14.560 1.00 0.62 H new ATOM 0 HD22 ASN A 42 0.616 6.164 14.437 1.00 0.62 H new ATOM 638 N PRO A 43 -1.135 6.613 8.789 1.00 0.34 N ATOM 639 CA PRO A 43 -2.248 7.442 8.285 1.00 0.35 C ATOM 640 C PRO A 43 -3.474 7.231 9.187 1.00 0.34 C ATOM 641 O PRO A 43 -3.659 6.164 9.742 1.00 0.33 O ATOM 642 CB PRO A 43 -2.509 6.921 6.850 1.00 0.34 C ATOM 643 CG PRO A 43 -1.594 5.679 6.630 1.00 0.37 C ATOM 644 CD PRO A 43 -0.753 5.486 7.912 1.00 0.37 C ATOM 0 HA PRO A 43 -2.029 8.510 8.283 1.00 0.35 H new ATOM 0 HB2 PRO A 43 -3.558 6.652 6.725 1.00 0.34 H new ATOM 0 HB3 PRO A 43 -2.288 7.695 6.115 1.00 0.34 H new ATOM 0 HG2 PRO A 43 -2.194 4.792 6.429 1.00 0.37 H new ATOM 0 HG3 PRO A 43 -0.946 5.829 5.766 1.00 0.37 H new ATOM 0 HD2 PRO A 43 -0.967 4.527 8.384 1.00 0.37 H new ATOM 0 HD3 PRO A 43 0.314 5.501 7.691 1.00 0.37 H new ATOM 652 N THR A 44 -4.313 8.219 9.341 1.00 0.35 N ATOM 653 CA THR A 44 -5.507 8.019 10.208 1.00 0.35 C ATOM 654 C THR A 44 -6.468 7.058 9.519 1.00 0.34 C ATOM 655 O THR A 44 -6.278 6.679 8.380 1.00 0.32 O ATOM 656 CB THR A 44 -6.225 9.345 10.458 1.00 0.37 C ATOM 657 OG1 THR A 44 -6.783 9.817 9.241 1.00 0.28 O ATOM 658 CG2 THR A 44 -5.237 10.373 11.009 1.00 0.68 C ATOM 0 H THR A 44 -4.226 9.140 8.912 1.00 0.35 H new ATOM 0 HA THR A 44 -5.179 7.611 11.164 1.00 0.35 H new ATOM 0 HB THR A 44 -7.022 9.193 11.186 1.00 0.37 H new ATOM 0 HG1 THR A 44 -6.429 10.709 9.043 1.00 0.28 H new ATOM 0 HG21 THR A 44 -5.754 11.316 11.185 1.00 0.68 H new ATOM 0 HG22 THR A 44 -4.817 10.008 11.947 1.00 0.68 H new ATOM 0 HG23 THR A 44 -4.434 10.529 10.288 1.00 0.68 H new ATOM 666 N GLU A 45 -7.495 6.662 10.204 1.00 0.35 N ATOM 667 CA GLU A 45 -8.477 5.724 9.601 1.00 0.35 C ATOM 668 C GLU A 45 -9.147 6.383 8.395 1.00 0.36 C ATOM 669 O GLU A 45 -9.477 5.729 7.426 1.00 0.31 O ATOM 670 CB GLU A 45 -9.530 5.373 10.652 1.00 0.42 C ATOM 671 CG GLU A 45 -8.951 4.350 11.634 1.00 0.38 C ATOM 672 CD GLU A 45 -9.977 4.057 12.731 1.00 1.08 C ATOM 673 OE1 GLU A 45 -10.836 3.223 12.502 1.00 1.13 O ATOM 674 OE2 GLU A 45 -9.883 4.671 13.781 1.00 2.10 O ATOM 0 H GLU A 45 -7.700 6.948 11.161 1.00 0.35 H new ATOM 0 HA GLU A 45 -7.970 4.818 9.270 1.00 0.35 H new ATOM 0 HB2 GLU A 45 -9.839 6.271 11.186 1.00 0.42 H new ATOM 0 HB3 GLU A 45 -10.419 4.967 10.170 1.00 0.42 H new ATOM 0 HG2 GLU A 45 -8.693 3.431 11.108 1.00 0.38 H new ATOM 0 HG3 GLU A 45 -8.031 4.734 12.075 1.00 0.38 H new ATOM 681 N ALA A 46 -9.357 7.670 8.438 1.00 0.51 N ATOM 682 CA ALA A 46 -10.008 8.343 7.283 1.00 0.53 C ATOM 683 C ALA A 46 -9.043 8.337 6.094 1.00 0.46 C ATOM 684 O ALA A 46 -9.439 8.110 4.969 1.00 0.41 O ATOM 685 CB ALA A 46 -10.377 9.782 7.662 1.00 0.68 C ATOM 0 H ALA A 46 -9.108 8.279 9.217 1.00 0.51 H new ATOM 0 HA ALA A 46 -10.920 7.812 7.010 1.00 0.53 H new ATOM 0 HB1 ALA A 46 -10.854 10.271 6.813 1.00 0.68 H new ATOM 0 HB2 ALA A 46 -11.065 9.771 8.507 1.00 0.68 H new ATOM 0 HB3 ALA A 46 -9.475 10.329 7.936 1.00 0.68 H new ATOM 691 N GLU A 47 -7.778 8.558 6.331 1.00 0.47 N ATOM 692 CA GLU A 47 -6.813 8.531 5.201 1.00 0.46 C ATOM 693 C GLU A 47 -6.879 7.142 4.570 1.00 0.33 C ATOM 694 O GLU A 47 -6.765 6.981 3.374 1.00 0.36 O ATOM 695 CB GLU A 47 -5.386 8.790 5.718 1.00 0.53 C ATOM 696 CG GLU A 47 -5.122 10.294 5.843 1.00 0.84 C ATOM 697 CD GLU A 47 -5.913 10.861 7.021 1.00 1.52 C ATOM 698 OE1 GLU A 47 -7.122 10.978 6.897 1.00 3.30 O ATOM 699 OE2 GLU A 47 -5.297 11.171 8.026 1.00 1.39 O ATOM 0 H GLU A 47 -7.377 8.754 7.248 1.00 0.47 H new ATOM 0 HA GLU A 47 -7.063 9.302 4.473 1.00 0.46 H new ATOM 0 HB2 GLU A 47 -5.252 8.310 6.687 1.00 0.53 H new ATOM 0 HB3 GLU A 47 -4.660 8.343 5.038 1.00 0.53 H new ATOM 0 HG2 GLU A 47 -4.057 10.475 5.987 1.00 0.84 H new ATOM 0 HG3 GLU A 47 -5.410 10.801 4.922 1.00 0.84 H new ATOM 706 N LEU A 48 -7.059 6.135 5.380 1.00 0.23 N ATOM 707 CA LEU A 48 -7.128 4.748 4.842 1.00 0.19 C ATOM 708 C LEU A 48 -8.469 4.520 4.137 1.00 0.18 C ATOM 709 O LEU A 48 -8.517 4.009 3.037 1.00 0.22 O ATOM 710 CB LEU A 48 -6.998 3.748 5.997 1.00 0.21 C ATOM 711 CG LEU A 48 -5.551 3.709 6.512 1.00 0.22 C ATOM 712 CD1 LEU A 48 -5.498 2.848 7.781 1.00 0.31 C ATOM 713 CD2 LEU A 48 -4.608 3.111 5.442 1.00 0.16 C ATOM 0 H LEU A 48 -7.161 6.213 6.392 1.00 0.23 H new ATOM 0 HA LEU A 48 -6.316 4.606 4.128 1.00 0.19 H new ATOM 0 HB2 LEU A 48 -7.671 4.029 6.807 1.00 0.21 H new ATOM 0 HB3 LEU A 48 -7.298 2.755 5.662 1.00 0.21 H new ATOM 0 HG LEU A 48 -5.223 4.725 6.732 1.00 0.22 H new ATOM 0 HD11 LEU A 48 -4.475 2.814 8.155 1.00 0.31 H new ATOM 0 HD12 LEU A 48 -6.148 3.281 8.542 1.00 0.31 H new ATOM 0 HD13 LEU A 48 -5.834 1.837 7.549 1.00 0.31 H new ATOM 0 HD21 LEU A 48 -3.588 3.092 5.826 1.00 0.16 H new ATOM 0 HD22 LEU A 48 -4.925 2.096 5.204 1.00 0.16 H new ATOM 0 HD23 LEU A 48 -4.645 3.723 4.541 1.00 0.16 H new ATOM 725 N GLN A 49 -9.558 4.870 4.762 1.00 0.19 N ATOM 726 CA GLN A 49 -10.887 4.637 4.127 1.00 0.22 C ATOM 727 C GLN A 49 -11.050 5.511 2.883 1.00 0.20 C ATOM 728 O GLN A 49 -11.855 5.226 2.019 1.00 0.24 O ATOM 729 CB GLN A 49 -12.001 4.980 5.123 1.00 0.27 C ATOM 730 CG GLN A 49 -12.042 3.948 6.266 1.00 0.34 C ATOM 731 CD GLN A 49 -13.436 3.924 6.898 1.00 1.27 C ATOM 732 OE1 GLN A 49 -13.629 4.415 7.993 1.00 2.63 O ATOM 733 NE2 GLN A 49 -14.425 3.369 6.250 1.00 1.25 N ATOM 0 H GLN A 49 -9.587 5.307 5.683 1.00 0.19 H new ATOM 0 HA GLN A 49 -10.951 3.588 3.838 1.00 0.22 H new ATOM 0 HB2 GLN A 49 -11.837 5.977 5.532 1.00 0.27 H new ATOM 0 HB3 GLN A 49 -12.962 5.000 4.609 1.00 0.27 H new ATOM 0 HG2 GLN A 49 -11.790 2.959 5.884 1.00 0.34 H new ATOM 0 HG3 GLN A 49 -11.296 4.198 7.020 1.00 0.34 H new ATOM 0 HE21 GLN A 49 -14.265 2.956 5.331 1.00 1.25 H new ATOM 0 HE22 GLN A 49 -15.357 3.348 6.663 1.00 1.25 H new ATOM 742 N ASP A 50 -10.308 6.571 2.781 1.00 0.18 N ATOM 743 CA ASP A 50 -10.445 7.450 1.587 1.00 0.19 C ATOM 744 C ASP A 50 -9.793 6.776 0.385 1.00 0.22 C ATOM 745 O ASP A 50 -10.358 6.720 -0.690 1.00 0.23 O ATOM 746 CB ASP A 50 -9.766 8.794 1.855 1.00 0.24 C ATOM 747 CG ASP A 50 -10.108 9.772 0.727 1.00 1.37 C ATOM 748 OD1 ASP A 50 -9.503 9.665 -0.326 1.00 2.70 O ATOM 749 OD2 ASP A 50 -10.970 10.609 0.937 1.00 1.27 O ATOM 0 H ASP A 50 -9.615 6.869 3.467 1.00 0.18 H new ATOM 0 HA ASP A 50 -11.502 7.619 1.380 1.00 0.19 H new ATOM 0 HB2 ASP A 50 -10.097 9.196 2.812 1.00 0.24 H new ATOM 0 HB3 ASP A 50 -8.686 8.661 1.921 1.00 0.24 H new ATOM 754 N MET A 51 -8.614 6.259 0.554 1.00 0.27 N ATOM 755 CA MET A 51 -7.935 5.586 -0.582 1.00 0.35 C ATOM 756 C MET A 51 -8.658 4.277 -0.895 1.00 0.35 C ATOM 757 O MET A 51 -8.691 3.836 -2.023 1.00 0.40 O ATOM 758 CB MET A 51 -6.478 5.298 -0.212 1.00 0.39 C ATOM 759 CG MET A 51 -5.779 6.609 0.161 1.00 0.46 C ATOM 760 SD MET A 51 -3.992 6.336 0.244 1.00 0.51 S ATOM 761 CE MET A 51 -3.915 5.869 1.991 1.00 0.26 C ATOM 0 H MET A 51 -8.090 6.273 1.429 1.00 0.27 H new ATOM 0 HA MET A 51 -7.958 6.233 -1.459 1.00 0.35 H new ATOM 0 HB2 MET A 51 -6.435 4.599 0.624 1.00 0.39 H new ATOM 0 HB3 MET A 51 -5.965 4.825 -1.050 1.00 0.39 H new ATOM 0 HG2 MET A 51 -6.006 7.378 -0.577 1.00 0.46 H new ATOM 0 HG3 MET A 51 -6.148 6.970 1.121 1.00 0.46 H new ATOM 0 HE1 MET A 51 -2.882 5.652 2.265 1.00 0.26 H new ATOM 0 HE2 MET A 51 -4.288 6.690 2.604 1.00 0.26 H new ATOM 0 HE3 MET A 51 -4.528 4.983 2.158 1.00 0.26 H new ATOM 771 N ILE A 52 -9.251 3.657 0.088 1.00 0.32 N ATOM 772 CA ILE A 52 -9.982 2.391 -0.176 1.00 0.35 C ATOM 773 C ILE A 52 -11.128 2.687 -1.146 1.00 0.32 C ATOM 774 O ILE A 52 -11.453 1.895 -2.003 1.00 0.40 O ATOM 775 CB ILE A 52 -10.530 1.831 1.150 1.00 0.39 C ATOM 776 CG1 ILE A 52 -9.374 1.172 1.922 1.00 0.44 C ATOM 777 CG2 ILE A 52 -11.633 0.799 0.862 1.00 0.53 C ATOM 778 CD1 ILE A 52 -9.845 0.647 3.281 1.00 0.49 C ATOM 0 H ILE A 52 -9.260 3.973 1.058 1.00 0.32 H new ATOM 0 HA ILE A 52 -9.316 1.649 -0.616 1.00 0.35 H new ATOM 0 HB ILE A 52 -10.957 2.636 1.748 1.00 0.39 H new ATOM 0 HG12 ILE A 52 -8.962 0.351 1.335 1.00 0.44 H new ATOM 0 HG13 ILE A 52 -8.571 1.895 2.067 1.00 0.44 H new ATOM 0 HG21 ILE A 52 -12.018 0.405 1.803 1.00 0.53 H new ATOM 0 HG22 ILE A 52 -12.443 1.276 0.310 1.00 0.53 H new ATOM 0 HG23 ILE A 52 -11.221 -0.017 0.269 1.00 0.53 H new ATOM 0 HD11 ILE A 52 -9.007 0.187 3.804 1.00 0.49 H new ATOM 0 HD12 ILE A 52 -10.234 1.474 3.876 1.00 0.49 H new ATOM 0 HD13 ILE A 52 -10.631 -0.094 3.132 1.00 0.49 H new ATOM 790 N ASN A 53 -11.747 3.823 -1.003 1.00 0.29 N ATOM 791 CA ASN A 53 -12.878 4.187 -1.890 1.00 0.30 C ATOM 792 C ASN A 53 -12.430 4.139 -3.354 1.00 0.32 C ATOM 793 O ASN A 53 -13.009 3.460 -4.178 1.00 0.47 O ATOM 794 CB ASN A 53 -13.362 5.608 -1.487 1.00 0.42 C ATOM 795 CG ASN A 53 -13.099 6.652 -2.586 1.00 2.32 C ATOM 796 OD1 ASN A 53 -13.700 6.604 -3.642 1.00 3.06 O ATOM 797 ND2 ASN A 53 -12.220 7.594 -2.380 1.00 3.63 N ATOM 0 H ASN A 53 -11.512 4.523 -0.299 1.00 0.29 H new ATOM 0 HA ASN A 53 -13.702 3.481 -1.781 1.00 0.30 H new ATOM 0 HB2 ASN A 53 -14.429 5.577 -1.268 1.00 0.42 H new ATOM 0 HB3 ASN A 53 -12.857 5.914 -0.571 1.00 0.42 H new ATOM 0 HD21 ASN A 53 -12.038 8.289 -3.104 1.00 3.63 H new ATOM 0 HD22 ASN A 53 -11.715 7.636 -1.495 1.00 3.63 H new ATOM 804 N GLU A 54 -11.421 4.882 -3.670 1.00 0.45 N ATOM 805 CA GLU A 54 -10.923 4.929 -5.082 1.00 0.45 C ATOM 806 C GLU A 54 -10.128 3.664 -5.414 1.00 0.19 C ATOM 807 O GLU A 54 -10.098 3.219 -6.542 1.00 0.38 O ATOM 808 CB GLU A 54 -10.027 6.165 -5.260 1.00 0.67 C ATOM 809 CG GLU A 54 -10.887 7.405 -5.525 1.00 1.11 C ATOM 810 CD GLU A 54 -11.396 7.378 -6.967 1.00 2.78 C ATOM 811 OE1 GLU A 54 -11.199 6.369 -7.627 1.00 3.82 O ATOM 812 OE2 GLU A 54 -11.974 8.366 -7.390 1.00 3.18 O ATOM 0 H GLU A 54 -10.907 5.469 -3.013 1.00 0.45 H new ATOM 0 HA GLU A 54 -11.776 4.989 -5.758 1.00 0.45 H new ATOM 0 HB2 GLU A 54 -9.422 6.317 -4.366 1.00 0.67 H new ATOM 0 HB3 GLU A 54 -9.337 6.007 -6.089 1.00 0.67 H new ATOM 0 HG2 GLU A 54 -11.728 7.431 -4.832 1.00 1.11 H new ATOM 0 HG3 GLU A 54 -10.303 8.309 -5.352 1.00 1.11 H new ATOM 819 N VAL A 55 -9.476 3.094 -4.451 1.00 0.23 N ATOM 820 CA VAL A 55 -8.674 1.866 -4.728 1.00 0.21 C ATOM 821 C VAL A 55 -9.594 0.662 -4.831 1.00 0.18 C ATOM 822 O VAL A 55 -9.318 -0.306 -5.511 1.00 0.35 O ATOM 823 CB VAL A 55 -7.657 1.642 -3.612 1.00 0.42 C ATOM 824 CG1 VAL A 55 -6.967 0.292 -3.823 1.00 0.60 C ATOM 825 CG2 VAL A 55 -6.617 2.762 -3.647 1.00 0.40 C ATOM 0 H VAL A 55 -9.459 3.418 -3.484 1.00 0.23 H new ATOM 0 HA VAL A 55 -8.144 1.996 -5.672 1.00 0.21 H new ATOM 0 HB VAL A 55 -8.161 1.645 -2.645 1.00 0.42 H new ATOM 0 HG11 VAL A 55 -6.239 0.127 -3.028 1.00 0.60 H new ATOM 0 HG12 VAL A 55 -7.711 -0.504 -3.804 1.00 0.60 H new ATOM 0 HG13 VAL A 55 -6.458 0.290 -4.787 1.00 0.60 H new ATOM 0 HG21 VAL A 55 -5.888 2.607 -2.852 1.00 0.40 H new ATOM 0 HG22 VAL A 55 -6.109 2.757 -4.611 1.00 0.40 H new ATOM 0 HG23 VAL A 55 -7.112 3.723 -3.503 1.00 0.40 H new ATOM 835 N ASP A 56 -10.687 0.735 -4.163 1.00 0.11 N ATOM 836 CA ASP A 56 -11.670 -0.386 -4.196 1.00 0.21 C ATOM 837 C ASP A 56 -12.468 -0.267 -5.484 1.00 0.43 C ATOM 838 O ASP A 56 -13.662 -0.491 -5.530 1.00 0.55 O ATOM 839 CB ASP A 56 -12.619 -0.308 -2.995 1.00 0.25 C ATOM 840 CG ASP A 56 -13.626 -1.457 -3.066 1.00 0.36 C ATOM 841 OD1 ASP A 56 -13.258 -2.513 -3.554 1.00 1.54 O ATOM 842 OD2 ASP A 56 -14.752 -1.262 -2.631 1.00 0.88 O ATOM 0 H ASP A 56 -10.958 1.529 -3.583 1.00 0.11 H new ATOM 0 HA ASP A 56 -11.145 -1.340 -4.151 1.00 0.21 H new ATOM 0 HB2 ASP A 56 -12.052 -0.364 -2.066 1.00 0.25 H new ATOM 0 HB3 ASP A 56 -13.142 0.648 -2.992 1.00 0.25 H new ATOM 847 N ALA A 57 -11.794 0.097 -6.529 1.00 0.50 N ATOM 848 CA ALA A 57 -12.454 0.258 -7.846 1.00 0.72 C ATOM 849 C ALA A 57 -12.626 -1.114 -8.492 1.00 0.87 C ATOM 850 O ALA A 57 -13.447 -1.303 -9.369 1.00 1.06 O ATOM 851 CB ALA A 57 -11.577 1.160 -8.715 1.00 0.73 C ATOM 0 H ALA A 57 -10.793 0.294 -6.527 1.00 0.50 H new ATOM 0 HA ALA A 57 -13.439 0.712 -7.734 1.00 0.72 H new ATOM 0 HB1 ALA A 57 -12.045 1.292 -9.691 1.00 0.73 H new ATOM 0 HB2 ALA A 57 -11.463 2.131 -8.233 1.00 0.73 H new ATOM 0 HB3 ALA A 57 -10.597 0.701 -8.842 1.00 0.73 H new ATOM 857 N ASP A 58 -11.867 -2.071 -8.048 1.00 0.83 N ATOM 858 CA ASP A 58 -11.978 -3.443 -8.607 1.00 1.00 C ATOM 859 C ASP A 58 -13.177 -4.142 -7.967 1.00 0.92 C ATOM 860 O ASP A 58 -13.694 -5.114 -8.478 1.00 1.04 O ATOM 861 CB ASP A 58 -10.687 -4.234 -8.340 1.00 1.06 C ATOM 862 CG ASP A 58 -10.615 -5.433 -9.289 1.00 1.27 C ATOM 863 OD1 ASP A 58 -10.977 -5.274 -10.443 1.00 0.80 O ATOM 864 OD2 ASP A 58 -10.198 -6.491 -8.846 1.00 2.08 O ATOM 0 H ASP A 58 -11.167 -1.961 -7.314 1.00 0.83 H new ATOM 0 HA ASP A 58 -12.123 -3.389 -9.686 1.00 1.00 H new ATOM 0 HB2 ASP A 58 -9.818 -3.591 -8.483 1.00 1.06 H new ATOM 0 HB3 ASP A 58 -10.664 -4.575 -7.305 1.00 1.06 H new ATOM 869 N GLY A 59 -13.622 -3.643 -6.849 1.00 0.71 N ATOM 870 CA GLY A 59 -14.791 -4.263 -6.162 1.00 0.65 C ATOM 871 C GLY A 59 -14.360 -5.542 -5.442 1.00 0.56 C ATOM 872 O GLY A 59 -15.177 -6.257 -4.896 1.00 0.50 O ATOM 0 H GLY A 59 -13.226 -2.829 -6.379 1.00 0.71 H new ATOM 0 HA2 GLY A 59 -15.217 -3.560 -5.447 1.00 0.65 H new ATOM 0 HA3 GLY A 59 -15.571 -4.491 -6.889 1.00 0.65 H new ATOM 876 N ASN A 60 -13.083 -5.844 -5.435 1.00 0.69 N ATOM 877 CA ASN A 60 -12.601 -7.090 -4.748 1.00 0.62 C ATOM 878 C ASN A 60 -12.029 -6.745 -3.370 1.00 0.49 C ATOM 879 O ASN A 60 -11.556 -7.605 -2.656 1.00 0.88 O ATOM 880 CB ASN A 60 -11.517 -7.764 -5.596 1.00 0.79 C ATOM 881 CG ASN A 60 -12.087 -8.095 -6.979 1.00 1.03 C ATOM 882 OD1 ASN A 60 -12.514 -7.214 -7.699 1.00 1.18 O ATOM 883 ND2 ASN A 60 -12.111 -9.336 -7.381 1.00 1.83 N ATOM 0 H ASN A 60 -12.353 -5.284 -5.874 1.00 0.69 H new ATOM 0 HA ASN A 60 -13.443 -7.771 -4.625 1.00 0.62 H new ATOM 0 HB2 ASN A 60 -10.654 -7.105 -5.694 1.00 0.79 H new ATOM 0 HB3 ASN A 60 -11.170 -8.674 -5.106 1.00 0.79 H new ATOM 0 HD21 ASN A 60 -12.488 -9.567 -8.300 1.00 1.83 H new ATOM 0 HD22 ASN A 60 -11.752 -10.075 -6.776 1.00 1.83 H new ATOM 890 N GLY A 61 -12.079 -5.502 -2.985 1.00 0.17 N ATOM 891 CA GLY A 61 -11.550 -5.110 -1.645 1.00 0.21 C ATOM 892 C GLY A 61 -10.113 -5.624 -1.465 1.00 0.25 C ATOM 893 O GLY A 61 -9.717 -5.996 -0.377 1.00 0.38 O ATOM 0 H GLY A 61 -12.464 -4.737 -3.539 1.00 0.17 H new ATOM 0 HA2 GLY A 61 -11.570 -4.025 -1.542 1.00 0.21 H new ATOM 0 HA3 GLY A 61 -12.189 -5.517 -0.861 1.00 0.21 H new ATOM 897 N THR A 62 -9.330 -5.645 -2.519 1.00 0.22 N ATOM 898 CA THR A 62 -7.912 -6.131 -2.416 1.00 0.25 C ATOM 899 C THR A 62 -6.983 -5.114 -3.096 1.00 0.24 C ATOM 900 O THR A 62 -7.433 -4.193 -3.748 1.00 0.24 O ATOM 901 CB THR A 62 -7.787 -7.480 -3.129 1.00 0.25 C ATOM 902 OG1 THR A 62 -8.392 -7.393 -4.413 1.00 0.33 O ATOM 903 CG2 THR A 62 -8.485 -8.563 -2.304 1.00 0.30 C ATOM 0 H THR A 62 -9.613 -5.345 -3.452 1.00 0.22 H new ATOM 0 HA THR A 62 -7.636 -6.243 -1.368 1.00 0.25 H new ATOM 0 HB THR A 62 -6.733 -7.736 -3.241 1.00 0.25 H new ATOM 0 HG1 THR A 62 -8.311 -8.255 -4.872 1.00 0.33 H new ATOM 0 HG21 THR A 62 -8.395 -9.523 -2.813 1.00 0.30 H new ATOM 0 HG22 THR A 62 -8.019 -8.629 -1.321 1.00 0.30 H new ATOM 0 HG23 THR A 62 -9.539 -8.310 -2.190 1.00 0.30 H new ATOM 911 N ILE A 63 -5.690 -5.271 -2.947 1.00 0.24 N ATOM 912 CA ILE A 63 -4.726 -4.312 -3.578 1.00 0.23 C ATOM 913 C ILE A 63 -3.526 -5.090 -4.128 1.00 0.23 C ATOM 914 O ILE A 63 -2.974 -5.942 -3.466 1.00 0.22 O ATOM 915 CB ILE A 63 -4.242 -3.319 -2.513 1.00 0.23 C ATOM 916 CG1 ILE A 63 -5.417 -2.984 -1.585 1.00 0.24 C ATOM 917 CG2 ILE A 63 -3.710 -2.035 -3.173 1.00 0.25 C ATOM 918 CD1 ILE A 63 -5.035 -1.847 -0.637 1.00 0.21 C ATOM 0 H ILE A 63 -5.258 -6.025 -2.413 1.00 0.24 H new ATOM 0 HA ILE A 63 -5.215 -3.774 -4.390 1.00 0.23 H new ATOM 0 HB ILE A 63 -3.430 -3.767 -1.941 1.00 0.23 H new ATOM 0 HG12 ILE A 63 -6.286 -2.697 -2.177 1.00 0.24 H new ATOM 0 HG13 ILE A 63 -5.699 -3.866 -1.011 1.00 0.24 H new ATOM 0 HG21 ILE A 63 -3.371 -1.343 -2.402 1.00 0.25 H new ATOM 0 HG22 ILE A 63 -2.876 -2.282 -3.830 1.00 0.25 H new ATOM 0 HG23 ILE A 63 -4.505 -1.569 -3.755 1.00 0.25 H new ATOM 0 HD11 ILE A 63 -5.877 -1.619 0.016 1.00 0.21 H new ATOM 0 HD12 ILE A 63 -4.179 -2.149 -0.033 1.00 0.21 H new ATOM 0 HD13 ILE A 63 -4.776 -0.961 -1.217 1.00 0.21 H new ATOM 930 N ASP A 64 -3.112 -4.783 -5.325 1.00 0.25 N ATOM 931 CA ASP A 64 -1.933 -5.477 -5.930 1.00 0.25 C ATOM 932 C ASP A 64 -0.708 -4.549 -5.806 1.00 0.23 C ATOM 933 O ASP A 64 -0.841 -3.384 -5.486 1.00 0.23 O ATOM 934 CB ASP A 64 -2.241 -5.808 -7.399 1.00 0.27 C ATOM 935 CG ASP A 64 -2.429 -4.517 -8.204 1.00 0.30 C ATOM 936 OD1 ASP A 64 -2.179 -3.457 -7.659 1.00 0.31 O ATOM 937 OD2 ASP A 64 -2.820 -4.615 -9.355 1.00 0.30 O ATOM 0 H ASP A 64 -3.542 -4.074 -5.919 1.00 0.25 H new ATOM 0 HA ASP A 64 -1.720 -6.412 -5.412 1.00 0.25 H new ATOM 0 HB2 ASP A 64 -1.428 -6.396 -7.825 1.00 0.27 H new ATOM 0 HB3 ASP A 64 -3.142 -6.418 -7.461 1.00 0.27 H new ATOM 942 N PHE A 65 0.483 -5.054 -6.019 1.00 0.22 N ATOM 943 CA PHE A 65 1.701 -4.189 -5.868 1.00 0.22 C ATOM 944 C PHE A 65 1.678 -2.948 -6.795 1.00 0.28 C ATOM 945 O PHE A 65 1.978 -1.870 -6.317 1.00 0.30 O ATOM 946 CB PHE A 65 2.984 -5.023 -6.078 1.00 0.21 C ATOM 947 CG PHE A 65 4.203 -4.236 -5.631 1.00 0.20 C ATOM 948 CD1 PHE A 65 4.355 -3.863 -4.285 1.00 0.63 C ATOM 949 CD2 PHE A 65 5.194 -3.889 -6.564 1.00 0.61 C ATOM 950 CE1 PHE A 65 5.488 -3.148 -3.879 1.00 0.61 C ATOM 951 CE2 PHE A 65 6.324 -3.174 -6.154 1.00 0.62 C ATOM 952 CZ PHE A 65 6.471 -2.805 -4.812 1.00 0.19 C ATOM 0 H PHE A 65 0.667 -6.020 -6.289 1.00 0.22 H new ATOM 0 HA PHE A 65 1.695 -3.804 -4.848 1.00 0.22 H new ATOM 0 HB2 PHE A 65 2.917 -5.954 -5.515 1.00 0.21 H new ATOM 0 HB3 PHE A 65 3.082 -5.293 -7.129 1.00 0.21 H new ATOM 0 HD1 PHE A 65 3.597 -4.128 -3.563 1.00 0.63 H new ATOM 0 HD2 PHE A 65 5.083 -4.175 -7.600 1.00 0.61 H new ATOM 0 HE1 PHE A 65 5.603 -2.861 -2.844 1.00 0.61 H new ATOM 0 HE2 PHE A 65 7.084 -2.906 -6.874 1.00 0.62 H new ATOM 0 HZ PHE A 65 7.345 -2.255 -4.497 1.00 0.19 H new ATOM 962 N PRO A 66 1.329 -3.065 -8.071 1.00 0.32 N ATOM 963 CA PRO A 66 1.299 -1.868 -8.935 1.00 0.39 C ATOM 964 C PRO A 66 0.473 -0.762 -8.263 1.00 0.38 C ATOM 965 O PRO A 66 0.937 0.345 -8.079 1.00 0.38 O ATOM 966 CB PRO A 66 0.662 -2.338 -10.263 1.00 0.48 C ATOM 967 CG PRO A 66 0.471 -3.878 -10.163 1.00 0.43 C ATOM 968 CD PRO A 66 0.941 -4.320 -8.757 1.00 0.31 C ATOM 0 HA PRO A 66 2.290 -1.448 -9.110 1.00 0.39 H new ATOM 0 HB2 PRO A 66 -0.294 -1.842 -10.427 1.00 0.48 H new ATOM 0 HB3 PRO A 66 1.302 -2.084 -11.108 1.00 0.48 H new ATOM 0 HG2 PRO A 66 -0.574 -4.145 -10.318 1.00 0.43 H new ATOM 0 HG3 PRO A 66 1.048 -4.386 -10.936 1.00 0.43 H new ATOM 0 HD2 PRO A 66 0.145 -4.835 -8.218 1.00 0.31 H new ATOM 0 HD3 PRO A 66 1.781 -5.011 -8.821 1.00 0.31 H new ATOM 976 N GLU A 67 -0.747 -1.052 -7.891 1.00 0.40 N ATOM 977 CA GLU A 67 -1.587 -0.013 -7.231 1.00 0.41 C ATOM 978 C GLU A 67 -0.914 0.427 -5.933 1.00 0.32 C ATOM 979 O GLU A 67 -1.012 1.570 -5.533 1.00 0.32 O ATOM 980 CB GLU A 67 -2.975 -0.583 -6.922 1.00 0.46 C ATOM 981 CG GLU A 67 -3.782 -0.688 -8.217 1.00 0.66 C ATOM 982 CD GLU A 67 -5.010 -1.569 -7.980 1.00 0.63 C ATOM 983 OE1 GLU A 67 -4.866 -2.583 -7.317 1.00 0.46 O ATOM 984 OE2 GLU A 67 -6.072 -1.214 -8.463 1.00 0.79 O ATOM 0 H GLU A 67 -1.195 -1.960 -8.016 1.00 0.40 H new ATOM 0 HA GLU A 67 -1.695 0.842 -7.898 1.00 0.41 H new ATOM 0 HB2 GLU A 67 -2.882 -1.565 -6.458 1.00 0.46 H new ATOM 0 HB3 GLU A 67 -3.493 0.058 -6.209 1.00 0.46 H new ATOM 0 HG2 GLU A 67 -4.091 0.304 -8.548 1.00 0.66 H new ATOM 0 HG3 GLU A 67 -3.165 -1.111 -9.010 1.00 0.66 H new ATOM 991 N PHE A 68 -0.223 -0.461 -5.269 1.00 0.27 N ATOM 992 CA PHE A 68 0.452 -0.060 -4.006 1.00 0.19 C ATOM 993 C PHE A 68 1.519 0.974 -4.348 1.00 0.15 C ATOM 994 O PHE A 68 1.749 1.914 -3.611 1.00 0.10 O ATOM 995 CB PHE A 68 1.096 -1.274 -3.322 1.00 0.17 C ATOM 996 CG PHE A 68 1.562 -0.877 -1.941 1.00 0.13 C ATOM 997 CD1 PHE A 68 0.646 -0.824 -0.882 1.00 0.14 C ATOM 998 CD2 PHE A 68 2.905 -0.551 -1.721 1.00 0.11 C ATOM 999 CE1 PHE A 68 1.077 -0.449 0.398 1.00 0.13 C ATOM 1000 CE2 PHE A 68 3.332 -0.175 -0.441 1.00 0.11 C ATOM 1001 CZ PHE A 68 2.419 -0.123 0.618 1.00 0.11 C ATOM 0 H PHE A 68 -0.099 -1.435 -5.544 1.00 0.27 H new ATOM 0 HA PHE A 68 -0.279 0.360 -3.316 1.00 0.19 H new ATOM 0 HB2 PHE A 68 0.379 -2.092 -3.256 1.00 0.17 H new ATOM 0 HB3 PHE A 68 1.938 -1.635 -3.913 1.00 0.17 H new ATOM 0 HD1 PHE A 68 -0.391 -1.072 -1.052 1.00 0.14 H new ATOM 0 HD2 PHE A 68 3.611 -0.589 -2.537 1.00 0.11 H new ATOM 0 HE1 PHE A 68 0.372 -0.412 1.215 1.00 0.13 H new ATOM 0 HE2 PHE A 68 4.369 0.075 -0.271 1.00 0.11 H new ATOM 0 HZ PHE A 68 2.750 0.168 1.604 1.00 0.11 H new ATOM 1011 N LEU A 69 2.162 0.825 -5.476 1.00 0.19 N ATOM 1012 CA LEU A 69 3.196 1.819 -5.874 1.00 0.19 C ATOM 1013 C LEU A 69 2.511 3.158 -6.160 1.00 0.19 C ATOM 1014 O LEU A 69 3.109 4.208 -6.040 1.00 0.16 O ATOM 1015 CB LEU A 69 3.925 1.348 -7.141 1.00 0.29 C ATOM 1016 CG LEU A 69 4.706 0.054 -6.876 1.00 0.40 C ATOM 1017 CD1 LEU A 69 5.465 -0.335 -8.149 1.00 0.42 C ATOM 1018 CD2 LEU A 69 5.710 0.256 -5.727 1.00 0.44 C ATOM 0 H LEU A 69 2.015 0.061 -6.135 1.00 0.19 H new ATOM 0 HA LEU A 69 3.920 1.927 -5.066 1.00 0.19 H new ATOM 0 HB2 LEU A 69 3.203 1.184 -7.941 1.00 0.29 H new ATOM 0 HB3 LEU A 69 4.608 2.126 -7.483 1.00 0.29 H new ATOM 0 HG LEU A 69 4.007 -0.734 -6.595 1.00 0.40 H new ATOM 0 HD11 LEU A 69 6.024 -1.254 -7.973 1.00 0.42 H new ATOM 0 HD12 LEU A 69 4.756 -0.492 -8.962 1.00 0.42 H new ATOM 0 HD13 LEU A 69 6.156 0.464 -8.419 1.00 0.42 H new ATOM 0 HD21 LEU A 69 6.255 -0.672 -5.553 1.00 0.44 H new ATOM 0 HD22 LEU A 69 6.413 1.045 -5.993 1.00 0.44 H new ATOM 0 HD23 LEU A 69 5.174 0.538 -4.821 1.00 0.44 H new ATOM 1030 N THR A 70 1.260 3.127 -6.534 1.00 0.26 N ATOM 1031 CA THR A 70 0.544 4.400 -6.823 1.00 0.32 C ATOM 1032 C THR A 70 0.195 5.085 -5.502 1.00 0.32 C ATOM 1033 O THR A 70 -0.016 6.280 -5.450 1.00 0.41 O ATOM 1034 CB THR A 70 -0.734 4.104 -7.618 1.00 0.40 C ATOM 1035 OG1 THR A 70 -0.383 3.575 -8.888 1.00 0.43 O ATOM 1036 CG2 THR A 70 -1.529 5.396 -7.806 1.00 0.44 C ATOM 0 H THR A 70 0.706 2.279 -6.651 1.00 0.26 H new ATOM 0 HA THR A 70 1.180 5.058 -7.415 1.00 0.32 H new ATOM 0 HB THR A 70 -1.343 3.381 -7.076 1.00 0.40 H new ATOM 0 HG1 THR A 70 -1.197 3.383 -9.399 1.00 0.43 H new ATOM 0 HG21 THR A 70 -2.437 5.186 -8.371 1.00 0.44 H new ATOM 0 HG22 THR A 70 -1.795 5.805 -6.831 1.00 0.44 H new ATOM 0 HG23 THR A 70 -0.923 6.120 -8.350 1.00 0.44 H new ATOM 1044 N MET A 71 0.150 4.338 -4.433 1.00 0.33 N ATOM 1045 CA MET A 71 -0.167 4.957 -3.109 1.00 0.43 C ATOM 1046 C MET A 71 1.088 5.654 -2.577 1.00 0.35 C ATOM 1047 O MET A 71 1.042 6.789 -2.139 1.00 0.31 O ATOM 1048 CB MET A 71 -0.612 3.886 -2.095 1.00 0.59 C ATOM 1049 CG MET A 71 -1.997 3.301 -2.472 1.00 0.46 C ATOM 1050 SD MET A 71 -3.028 3.161 -0.983 1.00 0.40 S ATOM 1051 CE MET A 71 -3.858 1.609 -1.406 1.00 0.40 C ATOM 0 H MET A 71 0.317 3.332 -4.416 1.00 0.33 H new ATOM 0 HA MET A 71 -0.979 5.672 -3.241 1.00 0.43 H new ATOM 0 HB2 MET A 71 0.127 3.085 -2.059 1.00 0.59 H new ATOM 0 HB3 MET A 71 -0.658 4.322 -1.097 1.00 0.59 H new ATOM 0 HG2 MET A 71 -2.486 3.942 -3.206 1.00 0.46 H new ATOM 0 HG3 MET A 71 -1.875 2.322 -2.935 1.00 0.46 H new ATOM 0 HE1 MET A 71 -4.853 1.595 -0.961 1.00 0.40 H new ATOM 0 HE2 MET A 71 -3.944 1.526 -2.489 1.00 0.40 H new ATOM 0 HE3 MET A 71 -3.277 0.770 -1.023 1.00 0.40 H new ATOM 1061 N MET A 72 2.212 4.991 -2.614 1.00 0.33 N ATOM 1062 CA MET A 72 3.466 5.617 -2.116 1.00 0.27 C ATOM 1063 C MET A 72 3.837 6.793 -3.017 1.00 0.17 C ATOM 1064 O MET A 72 4.430 7.759 -2.578 1.00 0.23 O ATOM 1065 CB MET A 72 4.599 4.584 -2.129 1.00 0.28 C ATOM 1066 CG MET A 72 4.178 3.330 -1.353 1.00 0.29 C ATOM 1067 SD MET A 72 3.733 3.773 0.348 1.00 0.43 S ATOM 1068 CE MET A 72 5.403 4.119 0.961 1.00 0.23 C ATOM 0 H MET A 72 2.314 4.040 -2.969 1.00 0.33 H new ATOM 0 HA MET A 72 3.314 5.972 -1.096 1.00 0.27 H new ATOM 0 HB2 MET A 72 4.848 4.319 -3.157 1.00 0.28 H new ATOM 0 HB3 MET A 72 5.497 5.012 -1.684 1.00 0.28 H new ATOM 0 HG2 MET A 72 3.331 2.854 -1.847 1.00 0.29 H new ATOM 0 HG3 MET A 72 4.992 2.605 -1.348 1.00 0.29 H new ATOM 0 HE1 MET A 72 5.413 4.047 2.049 1.00 0.23 H new ATOM 0 HE2 MET A 72 6.102 3.394 0.543 1.00 0.23 H new ATOM 0 HE3 MET A 72 5.700 5.124 0.661 1.00 0.23 H new ATOM 1078 N ALA A 73 3.496 6.726 -4.279 1.00 0.14 N ATOM 1079 CA ALA A 73 3.839 7.847 -5.192 1.00 0.18 C ATOM 1080 C ALA A 73 2.992 9.075 -4.840 1.00 0.22 C ATOM 1081 O ALA A 73 3.445 10.197 -4.945 1.00 0.18 O ATOM 1082 CB ALA A 73 3.581 7.426 -6.643 1.00 0.35 C ATOM 0 H ALA A 73 2.998 5.947 -4.710 1.00 0.14 H new ATOM 0 HA ALA A 73 4.893 8.099 -5.078 1.00 0.18 H new ATOM 0 HB1 ALA A 73 3.833 8.250 -7.311 1.00 0.35 H new ATOM 0 HB2 ALA A 73 4.197 6.560 -6.886 1.00 0.35 H new ATOM 0 HB3 ALA A 73 2.529 7.168 -6.766 1.00 0.35 H new ATOM 1088 N ARG A 74 1.771 8.875 -4.416 1.00 0.32 N ATOM 1089 CA ARG A 74 0.919 10.040 -4.056 1.00 0.41 C ATOM 1090 C ARG A 74 1.502 10.717 -2.812 1.00 0.39 C ATOM 1091 O ARG A 74 1.383 11.913 -2.625 1.00 0.44 O ATOM 1092 CB ARG A 74 -0.513 9.554 -3.776 1.00 0.55 C ATOM 1093 CG ARG A 74 -1.318 9.465 -5.094 1.00 0.33 C ATOM 1094 CD ARG A 74 -2.120 10.754 -5.317 1.00 0.35 C ATOM 1095 NE ARG A 74 -1.250 11.945 -5.108 1.00 2.01 N ATOM 1096 CZ ARG A 74 -1.619 13.108 -5.571 1.00 2.80 C ATOM 1097 NH1 ARG A 74 -2.753 13.226 -6.207 1.00 2.18 N ATOM 1098 NH2 ARG A 74 -0.857 14.152 -5.395 1.00 4.49 N ATOM 0 H ARG A 74 1.332 7.961 -4.305 1.00 0.32 H new ATOM 0 HA ARG A 74 0.895 10.757 -4.877 1.00 0.41 H new ATOM 0 HB2 ARG A 74 -0.485 8.577 -3.293 1.00 0.55 H new ATOM 0 HB3 ARG A 74 -1.008 10.237 -3.085 1.00 0.55 H new ATOM 0 HG2 ARG A 74 -0.640 9.301 -5.932 1.00 0.33 H new ATOM 0 HG3 ARG A 74 -1.993 8.610 -5.058 1.00 0.33 H new ATOM 0 HD2 ARG A 74 -2.529 10.766 -6.327 1.00 0.35 H new ATOM 0 HD3 ARG A 74 -2.966 10.788 -4.630 1.00 0.35 H new ATOM 0 HE ARG A 74 -0.368 11.852 -4.604 1.00 2.01 H new ATOM 0 HH11 ARG A 74 -3.350 12.410 -6.342 1.00 2.18 H new ATOM 0 HH12 ARG A 74 -3.042 14.135 -6.569 1.00 2.18 H new ATOM 0 HH21 ARG A 74 0.027 14.059 -4.895 1.00 4.49 H new ATOM 0 HH22 ARG A 74 -1.146 15.061 -5.757 1.00 4.49 H new ATOM 1112 N LYS A 75 2.137 9.957 -1.966 1.00 0.37 N ATOM 1113 CA LYS A 75 2.739 10.536 -0.733 1.00 0.44 C ATOM 1114 C LYS A 75 4.099 11.134 -1.072 1.00 0.42 C ATOM 1115 O LYS A 75 4.407 12.258 -0.726 1.00 0.51 O ATOM 1116 CB LYS A 75 2.912 9.428 0.313 1.00 0.45 C ATOM 1117 CG LYS A 75 1.566 9.143 0.985 1.00 0.56 C ATOM 1118 CD LYS A 75 1.760 8.167 2.152 1.00 1.38 C ATOM 1119 CE LYS A 75 0.547 8.244 3.079 1.00 1.01 C ATOM 1120 NZ LYS A 75 0.752 7.345 4.249 1.00 1.93 N ATOM 0 H LYS A 75 2.266 8.951 -2.076 1.00 0.37 H new ATOM 0 HA LYS A 75 2.088 11.314 -0.334 1.00 0.44 H new ATOM 0 HB2 LYS A 75 3.293 8.523 -0.160 1.00 0.45 H new ATOM 0 HB3 LYS A 75 3.646 9.730 1.060 1.00 0.45 H new ATOM 0 HG2 LYS A 75 1.126 10.073 1.347 1.00 0.56 H new ATOM 0 HG3 LYS A 75 0.870 8.722 0.260 1.00 0.56 H new ATOM 0 HD2 LYS A 75 1.881 7.151 1.776 1.00 1.38 H new ATOM 0 HD3 LYS A 75 2.669 8.414 2.701 1.00 1.38 H new ATOM 0 HE2 LYS A 75 0.400 9.270 3.417 1.00 1.01 H new ATOM 0 HE3 LYS A 75 -0.355 7.954 2.539 1.00 1.01 H new ATOM 0 HZ1 LYS A 75 -0.120 7.308 4.815 1.00 1.93 H new ATOM 0 HZ2 LYS A 75 0.989 6.389 3.915 1.00 1.93 H new ATOM 0 HZ3 LYS A 75 1.530 7.710 4.835 1.00 1.93 H new ATOM 1134 N MET A 76 4.850 10.509 -1.935 1.00 0.26 N ATOM 1135 CA MET A 76 6.160 11.128 -2.421 1.00 0.47 C ATOM 1136 C MET A 76 6.102 11.700 -3.893 1.00 1.12 C ATOM 1137 O MET A 76 6.253 10.964 -4.845 1.00 2.13 O ATOM 1138 CB MET A 76 7.245 10.022 -2.381 1.00 0.32 C ATOM 1139 CG MET A 76 7.014 9.048 -1.208 1.00 0.56 C ATOM 1140 SD MET A 76 8.585 8.744 -0.361 1.00 1.50 S ATOM 1141 CE MET A 76 9.222 7.501 -1.514 1.00 0.86 C ATOM 0 H MET A 76 4.632 9.597 -2.336 1.00 0.26 H new ATOM 0 HA MET A 76 6.376 11.972 -1.766 1.00 0.47 H new ATOM 0 HB2 MET A 76 7.238 9.470 -3.321 1.00 0.32 H new ATOM 0 HB3 MET A 76 8.230 10.480 -2.287 1.00 0.32 H new ATOM 0 HG2 MET A 76 6.287 9.466 -0.511 1.00 0.56 H new ATOM 0 HG3 MET A 76 6.599 8.110 -1.576 1.00 0.56 H new ATOM 0 HE1 MET A 76 10.204 7.165 -1.180 1.00 0.86 H new ATOM 0 HE2 MET A 76 8.539 6.652 -1.547 1.00 0.86 H new ATOM 0 HE3 MET A 76 9.307 7.937 -2.509 1.00 0.86 H new ATOM 1151 N LYS A 77 5.947 13.024 -4.057 1.00 1.14 N ATOM 1152 CA LYS A 77 5.939 13.707 -5.419 1.00 1.67 C ATOM 1153 C LYS A 77 5.956 15.239 -5.235 1.00 2.20 C ATOM 1154 O LYS A 77 6.960 15.821 -4.871 1.00 1.89 O ATOM 1155 CB LYS A 77 4.683 13.302 -6.173 1.00 1.88 C ATOM 1156 CG LYS A 77 4.909 11.944 -6.822 1.00 3.13 C ATOM 1157 CD LYS A 77 4.217 11.898 -8.190 1.00 3.88 C ATOM 1158 CE LYS A 77 4.475 10.542 -8.867 1.00 5.26 C ATOM 1159 NZ LYS A 77 5.589 9.834 -8.174 1.00 6.30 N ATOM 0 H LYS A 77 5.823 13.670 -3.277 1.00 1.14 H new ATOM 0 HA LYS A 77 6.822 13.404 -5.982 1.00 1.67 H new ATOM 0 HB2 LYS A 77 3.833 13.257 -5.492 1.00 1.88 H new ATOM 0 HB3 LYS A 77 4.443 14.047 -6.932 1.00 1.88 H new ATOM 0 HG2 LYS A 77 5.977 11.760 -6.939 1.00 3.13 H new ATOM 0 HG3 LYS A 77 4.518 11.155 -6.180 1.00 3.13 H new ATOM 0 HD2 LYS A 77 3.145 12.055 -8.070 1.00 3.88 H new ATOM 0 HD3 LYS A 77 4.588 12.705 -8.821 1.00 3.88 H new ATOM 0 HE2 LYS A 77 3.571 9.933 -8.838 1.00 5.26 H new ATOM 0 HE3 LYS A 77 4.725 10.692 -9.917 1.00 5.26 H new ATOM 0 HZ1 LYS A 77 5.815 8.958 -8.686 1.00 6.30 H new ATOM 0 HZ2 LYS A 77 6.428 10.448 -8.150 1.00 6.30 H new ATOM 0 HZ3 LYS A 77 5.301 9.602 -7.202 1.00 6.30 H new ATOM 1173 N ASP A 78 4.823 15.861 -5.405 1.00 1.50 N ATOM 1174 CA ASP A 78 4.689 17.326 -5.153 1.00 1.68 C ATOM 1175 C ASP A 78 5.487 17.753 -3.922 1.00 1.50 C ATOM 1176 O ASP A 78 5.681 18.927 -3.678 1.00 1.43 O ATOM 1177 CB ASP A 78 3.215 17.690 -4.967 1.00 2.14 C ATOM 1178 CG ASP A 78 3.071 19.210 -4.887 1.00 2.41 C ATOM 1179 OD1 ASP A 78 4.031 19.894 -5.204 1.00 3.02 O ATOM 1180 OD2 ASP A 78 2.004 19.666 -4.511 1.00 2.38 O ATOM 0 H ASP A 78 3.964 15.406 -5.715 1.00 1.50 H new ATOM 0 HA ASP A 78 5.090 17.855 -6.018 1.00 1.68 H new ATOM 0 HB2 ASP A 78 2.626 17.302 -5.798 1.00 2.14 H new ATOM 0 HB3 ASP A 78 2.827 17.229 -4.058 1.00 2.14 H new ATOM 1185 N THR A 79 5.957 16.813 -3.160 1.00 1.46 N ATOM 1186 CA THR A 79 6.765 17.142 -1.936 1.00 1.34 C ATOM 1187 C THR A 79 8.200 16.650 -2.125 1.00 1.08 C ATOM 1188 O THR A 79 8.817 16.116 -1.225 1.00 1.04 O ATOM 1189 CB THR A 79 6.143 16.451 -0.721 1.00 1.52 C ATOM 1190 OG1 THR A 79 6.933 16.715 0.430 1.00 1.45 O ATOM 1191 CG2 THR A 79 6.080 14.943 -0.964 1.00 1.64 C ATOM 0 H THR A 79 5.820 15.816 -3.326 1.00 1.46 H new ATOM 0 HA THR A 79 6.771 18.221 -1.780 1.00 1.34 H new ATOM 0 HB THR A 79 5.134 16.833 -0.564 1.00 1.52 H new ATOM 0 HG1 THR A 79 7.848 16.933 0.156 1.00 1.45 H new ATOM 0 HG21 THR A 79 5.637 14.453 -0.097 1.00 1.64 H new ATOM 0 HG22 THR A 79 5.471 14.742 -1.845 1.00 1.64 H new ATOM 0 HG23 THR A 79 7.087 14.558 -1.123 1.00 1.64 H new ATOM 1199 N ASP A 80 8.733 16.839 -3.294 1.00 0.94 N ATOM 1200 CA ASP A 80 10.130 16.402 -3.575 1.00 0.70 C ATOM 1201 C ASP A 80 11.040 16.820 -2.427 1.00 0.60 C ATOM 1202 O ASP A 80 10.668 17.592 -1.566 1.00 0.72 O ATOM 1203 CB ASP A 80 10.600 17.054 -4.878 1.00 0.63 C ATOM 1204 CG ASP A 80 11.815 16.302 -5.427 1.00 1.19 C ATOM 1205 OD1 ASP A 80 12.870 16.388 -4.817 1.00 1.92 O ATOM 1206 OD2 ASP A 80 11.673 15.650 -6.447 1.00 1.86 O ATOM 0 H ASP A 80 8.257 17.283 -4.079 1.00 0.94 H new ATOM 0 HA ASP A 80 10.166 15.317 -3.674 1.00 0.70 H new ATOM 0 HB2 ASP A 80 9.794 17.045 -5.611 1.00 0.63 H new ATOM 0 HB3 ASP A 80 10.857 18.098 -4.700 1.00 0.63 H new ATOM 1211 N SER A 81 12.242 16.327 -2.425 1.00 0.43 N ATOM 1212 CA SER A 81 13.197 16.700 -1.358 1.00 0.51 C ATOM 1213 C SER A 81 13.776 18.037 -1.758 1.00 0.41 C ATOM 1214 O SER A 81 14.298 18.794 -0.966 1.00 0.57 O ATOM 1215 CB SER A 81 14.289 15.632 -1.258 1.00 0.52 C ATOM 1216 OG SER A 81 14.817 15.624 0.061 1.00 1.45 O ATOM 0 H SER A 81 12.604 15.677 -3.123 1.00 0.43 H new ATOM 0 HA SER A 81 12.718 16.769 -0.381 1.00 0.51 H new ATOM 0 HB2 SER A 81 13.880 14.652 -1.504 1.00 0.52 H new ATOM 0 HB3 SER A 81 15.081 15.837 -1.978 1.00 0.52 H new ATOM 0 HG SER A 81 15.516 14.940 0.130 1.00 1.45 H new ATOM 1222 N GLU A 82 13.652 18.322 -3.009 1.00 0.19 N ATOM 1223 CA GLU A 82 14.147 19.607 -3.553 1.00 0.13 C ATOM 1224 C GLU A 82 13.501 20.755 -2.768 1.00 0.16 C ATOM 1225 O GLU A 82 14.088 21.802 -2.575 1.00 0.22 O ATOM 1226 CB GLU A 82 13.757 19.670 -5.039 1.00 0.16 C ATOM 1227 CG GLU A 82 14.936 19.244 -5.923 1.00 0.87 C ATOM 1228 CD GLU A 82 14.476 19.163 -7.379 1.00 0.89 C ATOM 1229 OE1 GLU A 82 13.814 18.195 -7.718 1.00 1.12 O ATOM 1230 OE2 GLU A 82 14.793 20.070 -8.132 1.00 1.61 O ATOM 0 H GLU A 82 13.219 17.707 -3.698 1.00 0.19 H new ATOM 0 HA GLU A 82 15.230 19.691 -3.460 1.00 0.13 H new ATOM 0 HB2 GLU A 82 12.902 19.020 -5.224 1.00 0.16 H new ATOM 0 HB3 GLU A 82 13.449 20.683 -5.297 1.00 0.16 H new ATOM 0 HG2 GLU A 82 15.753 19.959 -5.828 1.00 0.87 H new ATOM 0 HG3 GLU A 82 15.319 18.277 -5.597 1.00 0.87 H new ATOM 1237 N GLU A 83 12.298 20.554 -2.317 1.00 0.16 N ATOM 1238 CA GLU A 83 11.597 21.616 -1.541 1.00 0.21 C ATOM 1239 C GLU A 83 12.341 21.861 -0.225 1.00 0.16 C ATOM 1240 O GLU A 83 12.221 22.905 0.387 1.00 0.18 O ATOM 1241 CB GLU A 83 10.135 21.182 -1.277 1.00 0.27 C ATOM 1242 CG GLU A 83 10.037 20.307 -0.015 1.00 2.51 C ATOM 1243 CD GLU A 83 8.666 19.627 0.026 1.00 2.82 C ATOM 1244 OE1 GLU A 83 7.686 20.291 -0.272 1.00 2.34 O ATOM 1245 OE2 GLU A 83 8.621 18.451 0.357 1.00 3.82 O ATOM 0 H GLU A 83 11.765 19.695 -2.452 1.00 0.16 H new ATOM 0 HA GLU A 83 11.584 22.546 -2.109 1.00 0.21 H new ATOM 0 HB2 GLU A 83 9.506 22.064 -1.161 1.00 0.27 H new ATOM 0 HB3 GLU A 83 9.755 20.630 -2.137 1.00 0.27 H new ATOM 0 HG2 GLU A 83 10.828 19.557 -0.017 1.00 2.51 H new ATOM 0 HG3 GLU A 83 10.179 20.918 0.877 1.00 2.51 H new ATOM 1252 N GLU A 84 13.101 20.898 0.211 1.00 0.14 N ATOM 1253 CA GLU A 84 13.858 21.050 1.487 1.00 0.18 C ATOM 1254 C GLU A 84 15.187 21.767 1.234 1.00 0.16 C ATOM 1255 O GLU A 84 15.671 22.507 2.069 1.00 0.14 O ATOM 1256 CB GLU A 84 14.128 19.670 2.091 1.00 0.25 C ATOM 1257 CG GLU A 84 12.825 19.083 2.642 1.00 0.41 C ATOM 1258 CD GLU A 84 13.092 17.684 3.202 1.00 0.83 C ATOM 1259 OE1 GLU A 84 14.241 17.277 3.196 1.00 1.86 O ATOM 1260 OE2 GLU A 84 12.143 17.047 3.624 1.00 1.21 O ATOM 0 H GLU A 84 13.233 20.005 -0.264 1.00 0.14 H new ATOM 0 HA GLU A 84 13.263 21.643 2.181 1.00 0.18 H new ATOM 0 HB2 GLU A 84 14.545 19.006 1.334 1.00 0.25 H new ATOM 0 HB3 GLU A 84 14.868 19.750 2.888 1.00 0.25 H new ATOM 0 HG2 GLU A 84 12.425 19.729 3.424 1.00 0.41 H new ATOM 0 HG3 GLU A 84 12.074 19.033 1.854 1.00 0.41 H new ATOM 1267 N ILE A 85 15.788 21.551 0.097 1.00 0.26 N ATOM 1268 CA ILE A 85 17.091 22.219 -0.187 1.00 0.28 C ATOM 1269 C ILE A 85 16.852 23.680 -0.595 1.00 0.29 C ATOM 1270 O ILE A 85 17.496 24.576 -0.088 1.00 0.27 O ATOM 1271 CB ILE A 85 17.853 21.483 -1.308 1.00 0.30 C ATOM 1272 CG1 ILE A 85 18.433 20.170 -0.747 1.00 0.32 C ATOM 1273 CG2 ILE A 85 19.001 22.379 -1.825 1.00 0.25 C ATOM 1274 CD1 ILE A 85 19.157 19.398 -1.855 1.00 0.32 C ATOM 0 H ILE A 85 15.437 20.945 -0.644 1.00 0.26 H new ATOM 0 HA ILE A 85 17.696 22.189 0.719 1.00 0.28 H new ATOM 0 HB ILE A 85 17.173 21.260 -2.130 1.00 0.30 H new ATOM 0 HG12 ILE A 85 19.125 20.387 0.067 1.00 0.32 H new ATOM 0 HG13 ILE A 85 17.633 19.559 -0.330 1.00 0.32 H new ATOM 0 HG21 ILE A 85 19.540 21.859 -2.617 1.00 0.25 H new ATOM 0 HG22 ILE A 85 18.589 23.309 -2.216 1.00 0.25 H new ATOM 0 HG23 ILE A 85 19.686 22.602 -1.007 1.00 0.25 H new ATOM 0 HD11 ILE A 85 19.563 18.472 -1.448 1.00 0.32 H new ATOM 0 HD12 ILE A 85 18.454 19.165 -2.655 1.00 0.32 H new ATOM 0 HD13 ILE A 85 19.969 20.007 -2.251 1.00 0.32 H new ATOM 1286 N ARG A 86 15.949 23.936 -1.501 1.00 0.32 N ATOM 1287 CA ARG A 86 15.720 25.350 -1.909 1.00 0.32 C ATOM 1288 C ARG A 86 15.215 26.135 -0.699 1.00 0.31 C ATOM 1289 O ARG A 86 15.606 27.262 -0.474 1.00 0.32 O ATOM 1290 CB ARG A 86 14.694 25.413 -3.046 1.00 0.38 C ATOM 1291 CG ARG A 86 13.319 24.970 -2.542 1.00 1.59 C ATOM 1292 CD ARG A 86 12.360 24.848 -3.728 1.00 1.59 C ATOM 1293 NE ARG A 86 12.919 23.893 -4.726 1.00 1.83 N ATOM 1294 CZ ARG A 86 12.153 23.407 -5.664 1.00 2.41 C ATOM 1295 NH1 ARG A 86 10.896 23.754 -5.723 1.00 2.96 N ATOM 1296 NH2 ARG A 86 12.641 22.575 -6.542 1.00 2.93 N ATOM 0 H ARG A 86 15.369 23.240 -1.970 1.00 0.32 H new ATOM 0 HA ARG A 86 16.653 25.785 -2.266 1.00 0.32 H new ATOM 0 HB2 ARG A 86 14.636 26.429 -3.437 1.00 0.38 H new ATOM 0 HB3 ARG A 86 15.012 24.772 -3.868 1.00 0.38 H new ATOM 0 HG2 ARG A 86 13.399 24.014 -2.025 1.00 1.59 H new ATOM 0 HG3 ARG A 86 12.934 25.691 -1.821 1.00 1.59 H new ATOM 0 HD2 ARG A 86 11.384 24.503 -3.386 1.00 1.59 H new ATOM 0 HD3 ARG A 86 12.209 25.824 -4.189 1.00 1.59 H new ATOM 0 HE ARG A 86 13.900 23.619 -4.676 1.00 1.83 H new ATOM 0 HH11 ARG A 86 10.514 24.404 -5.036 1.00 2.96 H new ATOM 0 HH12 ARG A 86 10.296 23.375 -6.456 1.00 2.96 H new ATOM 0 HH21 ARG A 86 13.623 22.303 -6.496 1.00 2.93 H new ATOM 0 HH22 ARG A 86 12.041 22.196 -7.274 1.00 2.93 H new ATOM 1310 N GLU A 87 14.359 25.545 0.094 1.00 0.28 N ATOM 1311 CA GLU A 87 13.855 26.269 1.289 1.00 0.25 C ATOM 1312 C GLU A 87 15.013 26.474 2.263 1.00 0.22 C ATOM 1313 O GLU A 87 15.003 27.388 3.064 1.00 0.17 O ATOM 1314 CB GLU A 87 12.722 25.478 1.962 1.00 0.27 C ATOM 1315 CG GLU A 87 11.437 25.630 1.145 1.00 0.48 C ATOM 1316 CD GLU A 87 10.890 27.050 1.313 1.00 1.88 C ATOM 1317 OE1 GLU A 87 11.035 27.594 2.394 1.00 2.18 O ATOM 1318 OE2 GLU A 87 10.334 27.566 0.357 1.00 3.01 O ATOM 0 H GLU A 87 13.992 24.602 -0.035 1.00 0.28 H new ATOM 0 HA GLU A 87 13.453 27.236 0.987 1.00 0.25 H new ATOM 0 HB2 GLU A 87 12.995 24.425 2.038 1.00 0.27 H new ATOM 0 HB3 GLU A 87 12.565 25.841 2.978 1.00 0.27 H new ATOM 0 HG2 GLU A 87 11.637 25.428 0.093 1.00 0.48 H new ATOM 0 HG3 GLU A 87 10.696 24.902 1.474 1.00 0.48 H new ATOM 1325 N ALA A 88 16.040 25.664 2.183 1.00 0.23 N ATOM 1326 CA ALA A 88 17.201 25.872 3.082 1.00 0.21 C ATOM 1327 C ALA A 88 18.029 26.992 2.480 1.00 0.17 C ATOM 1328 O ALA A 88 18.411 27.925 3.138 1.00 0.14 O ATOM 1329 CB ALA A 88 18.045 24.602 3.164 1.00 0.26 C ATOM 0 H ALA A 88 16.119 24.877 1.539 1.00 0.23 H new ATOM 0 HA ALA A 88 16.866 26.120 4.089 1.00 0.21 H new ATOM 0 HB1 ALA A 88 18.893 24.771 3.828 1.00 0.26 H new ATOM 0 HB2 ALA A 88 17.437 23.785 3.553 1.00 0.26 H new ATOM 0 HB3 ALA A 88 18.408 24.342 2.170 1.00 0.26 H new ATOM 1335 N PHE A 89 18.284 26.920 1.213 1.00 0.18 N ATOM 1336 CA PHE A 89 19.063 28.005 0.580 1.00 0.16 C ATOM 1337 C PHE A 89 18.282 29.308 0.782 1.00 0.15 C ATOM 1338 O PHE A 89 18.848 30.383 0.801 1.00 0.15 O ATOM 1339 CB PHE A 89 19.258 27.706 -0.913 1.00 0.19 C ATOM 1340 CG PHE A 89 20.464 26.798 -1.104 1.00 0.14 C ATOM 1341 CD1 PHE A 89 21.749 27.265 -0.789 1.00 0.09 C ATOM 1342 CD2 PHE A 89 20.302 25.485 -1.588 1.00 0.19 C ATOM 1343 CE1 PHE A 89 22.848 26.432 -0.957 1.00 0.08 C ATOM 1344 CE2 PHE A 89 21.430 24.653 -1.753 1.00 0.16 C ATOM 1345 CZ PHE A 89 22.702 25.147 -1.433 1.00 0.07 C ATOM 0 H PHE A 89 17.990 26.165 0.593 1.00 0.18 H new ATOM 0 HA PHE A 89 20.053 28.091 1.029 1.00 0.16 H new ATOM 0 HB2 PHE A 89 18.365 27.230 -1.317 1.00 0.19 H new ATOM 0 HB3 PHE A 89 19.400 28.636 -1.464 1.00 0.19 H new ATOM 0 HD1 PHE A 89 21.883 28.270 -0.417 1.00 0.09 H new ATOM 0 HD2 PHE A 89 19.317 25.116 -1.832 1.00 0.19 H new ATOM 0 HE1 PHE A 89 23.834 26.798 -0.710 1.00 0.08 H new ATOM 0 HE2 PHE A 89 21.314 23.645 -2.122 1.00 0.16 H new ATOM 0 HZ PHE A 89 23.571 24.518 -1.560 1.00 0.07 H new ATOM 1355 N ARG A 90 16.986 29.218 0.977 1.00 0.14 N ATOM 1356 CA ARG A 90 16.194 30.454 1.225 1.00 0.14 C ATOM 1357 C ARG A 90 16.567 30.966 2.616 1.00 0.06 C ATOM 1358 O ARG A 90 16.819 32.139 2.817 1.00 0.08 O ATOM 1359 CB ARG A 90 14.698 30.135 1.174 1.00 0.19 C ATOM 1360 CG ARG A 90 13.893 31.402 1.482 1.00 0.65 C ATOM 1361 CD ARG A 90 12.397 31.138 1.269 1.00 0.48 C ATOM 1362 NE ARG A 90 12.057 31.330 -0.168 1.00 0.73 N ATOM 1363 CZ ARG A 90 10.932 30.866 -0.637 1.00 1.35 C ATOM 1364 NH1 ARG A 90 10.116 30.221 0.149 1.00 2.30 N ATOM 1365 NH2 ARG A 90 10.624 31.045 -1.892 1.00 1.98 N ATOM 0 H ARG A 90 16.452 28.349 0.974 1.00 0.14 H new ATOM 0 HA ARG A 90 16.409 31.206 0.466 1.00 0.14 H new ATOM 0 HB2 ARG A 90 14.431 29.752 0.189 1.00 0.19 H new ATOM 0 HB3 ARG A 90 14.457 29.354 1.896 1.00 0.19 H new ATOM 0 HG2 ARG A 90 14.072 31.716 2.510 1.00 0.65 H new ATOM 0 HG3 ARG A 90 14.222 32.217 0.838 1.00 0.65 H new ATOM 0 HD2 ARG A 90 12.148 30.123 1.580 1.00 0.48 H new ATOM 0 HD3 ARG A 90 11.806 31.814 1.887 1.00 0.48 H new ATOM 0 HE ARG A 90 12.703 31.823 -0.784 1.00 0.73 H new ATOM 0 HH11 ARG A 90 10.358 30.080 1.130 1.00 2.30 H new ATOM 0 HH12 ARG A 90 9.236 29.858 -0.217 1.00 2.30 H new ATOM 0 HH21 ARG A 90 11.263 31.548 -2.507 1.00 1.98 H new ATOM 0 HH22 ARG A 90 9.744 30.682 -2.258 1.00 1.98 H new ATOM 1379 N VAL A 91 16.632 30.077 3.567 1.00 0.07 N ATOM 1380 CA VAL A 91 17.025 30.472 4.955 1.00 0.13 C ATOM 1381 C VAL A 91 18.357 31.215 4.872 1.00 0.16 C ATOM 1382 O VAL A 91 18.776 31.882 5.795 1.00 0.28 O ATOM 1383 CB VAL A 91 17.208 29.184 5.805 1.00 0.21 C ATOM 1384 CG1 VAL A 91 18.260 29.379 6.911 1.00 0.30 C ATOM 1385 CG2 VAL A 91 15.870 28.780 6.444 1.00 0.28 C ATOM 0 H VAL A 91 16.429 29.085 3.444 1.00 0.07 H new ATOM 0 HA VAL A 91 16.265 31.106 5.410 1.00 0.13 H new ATOM 0 HB VAL A 91 17.555 28.396 5.137 1.00 0.21 H new ATOM 0 HG11 VAL A 91 18.360 28.457 7.484 1.00 0.30 H new ATOM 0 HG12 VAL A 91 19.219 29.632 6.460 1.00 0.30 H new ATOM 0 HG13 VAL A 91 17.946 30.186 7.573 1.00 0.30 H new ATOM 0 HG21 VAL A 91 16.008 27.876 7.038 1.00 0.28 H new ATOM 0 HG22 VAL A 91 15.516 29.586 7.087 1.00 0.28 H new ATOM 0 HG23 VAL A 91 15.135 28.591 5.661 1.00 0.28 H new ATOM 1395 N PHE A 92 19.053 31.035 3.787 1.00 0.09 N ATOM 1396 CA PHE A 92 20.403 31.640 3.637 1.00 0.19 C ATOM 1397 C PHE A 92 20.373 32.923 2.802 1.00 0.33 C ATOM 1398 O PHE A 92 21.324 33.676 2.767 1.00 0.43 O ATOM 1399 CB PHE A 92 21.279 30.554 3.004 1.00 0.10 C ATOM 1400 CG PHE A 92 21.928 29.767 4.104 1.00 0.11 C ATOM 1401 CD1 PHE A 92 21.297 28.638 4.669 1.00 0.19 C ATOM 1402 CD2 PHE A 92 23.163 30.185 4.573 1.00 0.21 C ATOM 1403 CE1 PHE A 92 21.912 27.944 5.701 1.00 0.34 C ATOM 1404 CE2 PHE A 92 23.789 29.482 5.611 1.00 0.33 C ATOM 1405 CZ PHE A 92 23.153 28.359 6.176 1.00 0.40 C ATOM 0 H PHE A 92 18.739 30.486 2.986 1.00 0.09 H new ATOM 0 HA PHE A 92 20.803 31.952 4.602 1.00 0.19 H new ATOM 0 HB2 PHE A 92 20.676 29.900 2.375 1.00 0.10 H new ATOM 0 HB3 PHE A 92 22.036 31.004 2.362 1.00 0.10 H new ATOM 0 HD1 PHE A 92 20.336 28.314 4.298 1.00 0.19 H new ATOM 0 HD2 PHE A 92 23.642 31.051 4.140 1.00 0.21 H new ATOM 0 HE1 PHE A 92 21.428 27.082 6.136 1.00 0.34 H new ATOM 0 HE2 PHE A 92 24.755 29.800 5.976 1.00 0.33 H new ATOM 0 HZ PHE A 92 23.630 27.818 6.980 1.00 0.40 H new ATOM 1415 N ASP A 93 19.280 33.198 2.183 1.00 0.36 N ATOM 1416 CA ASP A 93 19.152 34.455 1.382 1.00 0.53 C ATOM 1417 C ASP A 93 18.619 35.562 2.301 1.00 0.74 C ATOM 1418 O ASP A 93 17.496 36.010 2.172 1.00 0.86 O ATOM 1419 CB ASP A 93 18.173 34.231 0.228 1.00 0.58 C ATOM 1420 CG ASP A 93 17.925 35.555 -0.498 1.00 0.78 C ATOM 1421 OD1 ASP A 93 18.572 36.530 -0.148 1.00 1.69 O ATOM 1422 OD2 ASP A 93 17.091 35.575 -1.388 1.00 0.59 O ATOM 0 H ASP A 93 18.449 32.606 2.189 1.00 0.36 H new ATOM 0 HA ASP A 93 20.121 34.740 0.973 1.00 0.53 H new ATOM 0 HB2 ASP A 93 18.576 33.494 -0.466 1.00 0.58 H new ATOM 0 HB3 ASP A 93 17.233 33.831 0.608 1.00 0.58 H new ATOM 1427 N LYS A 94 19.422 35.991 3.239 1.00 0.80 N ATOM 1428 CA LYS A 94 18.987 37.053 4.197 1.00 1.01 C ATOM 1429 C LYS A 94 18.648 38.347 3.464 1.00 1.05 C ATOM 1430 O LYS A 94 17.976 39.213 3.988 1.00 1.27 O ATOM 1431 CB LYS A 94 20.114 37.327 5.192 1.00 1.11 C ATOM 1432 CG LYS A 94 20.405 36.060 5.997 1.00 1.16 C ATOM 1433 CD LYS A 94 21.293 36.409 7.194 1.00 1.44 C ATOM 1434 CE LYS A 94 21.639 35.133 7.959 1.00 1.57 C ATOM 1435 NZ LYS A 94 20.437 34.660 8.700 1.00 1.49 N ATOM 0 H LYS A 94 20.371 35.648 3.385 1.00 0.80 H new ATOM 0 HA LYS A 94 18.096 36.702 4.717 1.00 1.01 H new ATOM 0 HB2 LYS A 94 21.011 37.648 4.662 1.00 1.11 H new ATOM 0 HB3 LYS A 94 19.832 38.139 5.862 1.00 1.11 H new ATOM 0 HG2 LYS A 94 19.472 35.612 6.341 1.00 1.16 H new ATOM 0 HG3 LYS A 94 20.900 35.321 5.367 1.00 1.16 H new ATOM 0 HD2 LYS A 94 22.204 36.900 6.854 1.00 1.44 H new ATOM 0 HD3 LYS A 94 20.778 37.111 7.850 1.00 1.44 H new ATOM 0 HE2 LYS A 94 21.980 34.362 7.268 1.00 1.57 H new ATOM 0 HE3 LYS A 94 22.457 35.323 8.654 1.00 1.57 H new ATOM 0 HZ1 LYS A 94 20.712 33.908 9.363 1.00 1.49 H new ATOM 0 HZ2 LYS A 94 20.021 35.453 9.229 1.00 1.49 H new ATOM 0 HZ3 LYS A 94 19.737 34.289 8.026 1.00 1.49 H new ATOM 1449 N ASP A 95 19.126 38.495 2.270 1.00 0.86 N ATOM 1450 CA ASP A 95 18.862 39.750 1.495 1.00 0.88 C ATOM 1451 C ASP A 95 17.718 39.528 0.503 1.00 0.59 C ATOM 1452 O ASP A 95 17.435 40.369 -0.327 1.00 0.50 O ATOM 1453 CB ASP A 95 20.122 40.122 0.716 1.00 0.95 C ATOM 1454 CG ASP A 95 21.253 40.450 1.695 1.00 2.28 C ATOM 1455 OD1 ASP A 95 21.866 39.520 2.192 1.00 3.39 O ATOM 1456 OD2 ASP A 95 21.489 41.624 1.925 1.00 2.59 O ATOM 0 H ASP A 95 19.694 37.801 1.784 1.00 0.86 H new ATOM 0 HA ASP A 95 18.588 40.547 2.186 1.00 0.88 H new ATOM 0 HB2 ASP A 95 20.417 39.298 0.067 1.00 0.95 H new ATOM 0 HB3 ASP A 95 19.924 40.979 0.073 1.00 0.95 H new ATOM 1461 N GLY A 96 17.054 38.407 0.583 1.00 0.51 N ATOM 1462 CA GLY A 96 15.924 38.140 -0.355 1.00 0.51 C ATOM 1463 C GLY A 96 16.348 38.484 -1.782 1.00 0.47 C ATOM 1464 O GLY A 96 15.584 39.026 -2.558 1.00 0.50 O ATOM 0 H GLY A 96 17.244 37.665 1.256 1.00 0.51 H new ATOM 0 HA2 GLY A 96 15.629 37.092 -0.295 1.00 0.51 H new ATOM 0 HA3 GLY A 96 15.055 38.733 -0.071 1.00 0.51 H new ATOM 1468 N ASN A 97 17.572 38.186 -2.129 1.00 0.46 N ATOM 1469 CA ASN A 97 18.074 38.508 -3.505 1.00 0.49 C ATOM 1470 C ASN A 97 18.025 37.260 -4.400 1.00 0.43 C ATOM 1471 O ASN A 97 17.675 37.344 -5.559 1.00 0.67 O ATOM 1472 CB ASN A 97 19.519 38.997 -3.405 1.00 0.62 C ATOM 1473 CG ASN A 97 20.075 39.246 -4.808 1.00 0.64 C ATOM 1474 OD1 ASN A 97 21.191 38.869 -5.109 1.00 1.57 O ATOM 1475 ND2 ASN A 97 19.339 39.867 -5.686 1.00 0.43 N ATOM 0 H ASN A 97 18.251 37.732 -1.519 1.00 0.46 H new ATOM 0 HA ASN A 97 17.442 39.281 -3.943 1.00 0.49 H new ATOM 0 HB2 ASN A 97 19.563 39.914 -2.817 1.00 0.62 H new ATOM 0 HB3 ASN A 97 20.129 38.257 -2.887 1.00 0.62 H new ATOM 0 HD21 ASN A 97 19.699 40.036 -6.625 1.00 0.43 H new ATOM 0 HD22 ASN A 97 18.403 40.184 -5.434 1.00 0.43 H new ATOM 1482 N GLY A 98 18.381 36.106 -3.881 1.00 0.31 N ATOM 1483 CA GLY A 98 18.362 34.855 -4.702 1.00 0.22 C ATOM 1484 C GLY A 98 19.793 34.360 -4.888 1.00 0.14 C ATOM 1485 O GLY A 98 20.038 33.354 -5.522 1.00 0.13 O ATOM 0 H GLY A 98 18.686 35.979 -2.916 1.00 0.31 H new ATOM 0 HA2 GLY A 98 17.761 34.091 -4.210 1.00 0.22 H new ATOM 0 HA3 GLY A 98 17.902 35.048 -5.671 1.00 0.22 H new ATOM 1489 N TYR A 99 20.739 35.070 -4.336 1.00 0.18 N ATOM 1490 CA TYR A 99 22.173 34.670 -4.466 1.00 0.19 C ATOM 1491 C TYR A 99 22.869 34.777 -3.105 1.00 0.18 C ATOM 1492 O TYR A 99 22.561 35.632 -2.298 1.00 0.17 O ATOM 1493 CB TYR A 99 22.863 35.615 -5.450 1.00 0.19 C ATOM 1494 CG TYR A 99 22.216 35.499 -6.810 1.00 0.20 C ATOM 1495 CD1 TYR A 99 20.961 36.074 -7.039 1.00 1.02 C ATOM 1496 CD2 TYR A 99 22.872 34.820 -7.846 1.00 0.59 C ATOM 1497 CE1 TYR A 99 20.359 35.970 -8.299 1.00 1.20 C ATOM 1498 CE2 TYR A 99 22.274 34.717 -9.108 1.00 0.41 C ATOM 1499 CZ TYR A 99 21.016 35.293 -9.334 1.00 0.51 C ATOM 1500 OH TYR A 99 20.427 35.195 -10.577 1.00 0.69 O ATOM 0 H TYR A 99 20.580 35.919 -3.794 1.00 0.18 H new ATOM 0 HA TYR A 99 22.231 33.642 -4.823 1.00 0.19 H new ATOM 0 HB2 TYR A 99 22.795 36.642 -5.091 1.00 0.19 H new ATOM 0 HB3 TYR A 99 23.923 35.372 -5.520 1.00 0.19 H new ATOM 0 HD1 TYR A 99 20.456 36.599 -6.242 1.00 1.02 H new ATOM 0 HD2 TYR A 99 23.840 34.375 -7.671 1.00 0.59 H new ATOM 0 HE1 TYR A 99 19.389 36.412 -8.472 1.00 1.20 H new ATOM 0 HE2 TYR A 99 22.781 34.195 -9.906 1.00 0.41 H new ATOM 0 HH TYR A 99 21.016 34.695 -11.180 1.00 0.69 H new ATOM 1510 N ILE A 100 23.834 33.929 -2.866 1.00 0.18 N ATOM 1511 CA ILE A 100 24.605 33.976 -1.582 1.00 0.17 C ATOM 1512 C ILE A 100 26.075 33.702 -1.907 1.00 0.13 C ATOM 1513 O ILE A 100 26.403 33.259 -2.989 1.00 0.13 O ATOM 1514 CB ILE A 100 24.108 32.911 -0.576 1.00 0.21 C ATOM 1515 CG1 ILE A 100 24.223 31.513 -1.205 1.00 0.28 C ATOM 1516 CG2 ILE A 100 22.646 33.183 -0.137 1.00 0.18 C ATOM 1517 CD1 ILE A 100 23.593 30.470 -0.284 1.00 0.27 C ATOM 0 H ILE A 100 24.127 33.196 -3.512 1.00 0.18 H new ATOM 0 HA ILE A 100 24.469 34.956 -1.125 1.00 0.17 H new ATOM 0 HB ILE A 100 24.735 32.963 0.314 1.00 0.21 H new ATOM 0 HG12 ILE A 100 23.726 31.500 -2.175 1.00 0.28 H new ATOM 0 HG13 ILE A 100 25.271 31.269 -1.380 1.00 0.28 H new ATOM 0 HG21 ILE A 100 22.330 32.416 0.570 1.00 0.18 H new ATOM 0 HG22 ILE A 100 22.585 34.162 0.339 1.00 0.18 H new ATOM 0 HG23 ILE A 100 21.994 33.163 -1.010 1.00 0.18 H new ATOM 0 HD11 ILE A 100 23.680 29.483 -0.739 1.00 0.27 H new ATOM 0 HD12 ILE A 100 24.109 30.474 0.676 1.00 0.27 H new ATOM 0 HD13 ILE A 100 22.540 30.708 -0.131 1.00 0.27 H new ATOM 1529 N SER A 101 26.966 33.958 -0.991 1.00 0.13 N ATOM 1530 CA SER A 101 28.408 33.699 -1.280 1.00 0.10 C ATOM 1531 C SER A 101 28.685 32.197 -1.180 1.00 0.08 C ATOM 1532 O SER A 101 28.174 31.519 -0.311 1.00 0.14 O ATOM 1533 CB SER A 101 29.282 34.454 -0.276 1.00 0.16 C ATOM 1534 OG SER A 101 29.053 33.939 1.030 1.00 0.20 O ATOM 0 H SER A 101 26.764 34.331 -0.064 1.00 0.13 H new ATOM 0 HA SER A 101 28.643 34.045 -2.287 1.00 0.10 H new ATOM 0 HB2 SER A 101 30.334 34.349 -0.541 1.00 0.16 H new ATOM 0 HB3 SER A 101 29.051 35.519 -0.305 1.00 0.16 H new ATOM 0 HG SER A 101 28.169 34.224 1.344 1.00 0.20 H new ATOM 1540 N ALA A 102 29.488 31.681 -2.073 1.00 0.06 N ATOM 1541 CA ALA A 102 29.816 30.222 -2.062 1.00 0.06 C ATOM 1542 C ALA A 102 30.020 29.722 -0.631 1.00 0.06 C ATOM 1543 O ALA A 102 29.683 28.603 -0.303 1.00 0.05 O ATOM 1544 CB ALA A 102 31.098 29.997 -2.862 1.00 0.09 C ATOM 0 H ALA A 102 29.936 32.213 -2.819 1.00 0.06 H new ATOM 0 HA ALA A 102 28.988 29.671 -2.507 1.00 0.06 H new ATOM 0 HB1 ALA A 102 31.346 28.936 -2.860 1.00 0.09 H new ATOM 0 HB2 ALA A 102 30.950 30.334 -3.888 1.00 0.09 H new ATOM 0 HB3 ALA A 102 31.913 30.561 -2.409 1.00 0.09 H new ATOM 1550 N ALA A 103 30.571 30.529 0.224 1.00 0.11 N ATOM 1551 CA ALA A 103 30.781 30.068 1.624 1.00 0.13 C ATOM 1552 C ALA A 103 29.424 29.730 2.224 1.00 0.14 C ATOM 1553 O ALA A 103 29.195 28.641 2.711 1.00 0.20 O ATOM 1554 CB ALA A 103 31.454 31.171 2.444 1.00 0.13 C ATOM 0 H ALA A 103 30.883 31.479 0.021 1.00 0.11 H new ATOM 0 HA ALA A 103 31.426 29.189 1.635 1.00 0.13 H new ATOM 0 HB1 ALA A 103 31.603 30.824 3.467 1.00 0.13 H new ATOM 0 HB2 ALA A 103 32.418 31.418 2.000 1.00 0.13 H new ATOM 0 HB3 ALA A 103 30.820 32.058 2.450 1.00 0.13 H new ATOM 1560 N GLU A 104 28.523 30.656 2.168 1.00 0.15 N ATOM 1561 CA GLU A 104 27.161 30.405 2.704 1.00 0.16 C ATOM 1562 C GLU A 104 26.569 29.194 1.976 1.00 0.19 C ATOM 1563 O GLU A 104 25.812 28.426 2.538 1.00 0.25 O ATOM 1564 CB GLU A 104 26.297 31.639 2.445 1.00 0.22 C ATOM 1565 CG GLU A 104 26.608 32.717 3.488 1.00 0.51 C ATOM 1566 CD GLU A 104 25.821 33.986 3.161 1.00 0.29 C ATOM 1567 OE1 GLU A 104 26.185 34.659 2.208 1.00 0.38 O ATOM 1568 OE2 GLU A 104 24.868 34.270 3.869 1.00 0.33 O ATOM 0 H GLU A 104 28.668 31.585 1.772 1.00 0.15 H new ATOM 0 HA GLU A 104 27.198 30.207 3.775 1.00 0.16 H new ATOM 0 HB2 GLU A 104 26.487 32.024 1.443 1.00 0.22 H new ATOM 0 HB3 GLU A 104 25.241 31.371 2.489 1.00 0.22 H new ATOM 0 HG2 GLU A 104 26.346 32.360 4.484 1.00 0.51 H new ATOM 0 HG3 GLU A 104 27.677 32.931 3.497 1.00 0.51 H new ATOM 1575 N LEU A 105 26.912 29.018 0.724 1.00 0.17 N ATOM 1576 CA LEU A 105 26.377 27.857 -0.041 1.00 0.20 C ATOM 1577 C LEU A 105 26.958 26.569 0.528 1.00 0.18 C ATOM 1578 O LEU A 105 26.250 25.619 0.793 1.00 0.20 O ATOM 1579 CB LEU A 105 26.774 27.984 -1.519 1.00 0.24 C ATOM 1580 CG LEU A 105 26.140 26.827 -2.364 1.00 0.16 C ATOM 1581 CD1 LEU A 105 25.001 27.318 -3.289 1.00 0.13 C ATOM 1582 CD2 LEU A 105 27.203 26.169 -3.244 1.00 0.23 C ATOM 0 H LEU A 105 27.539 29.630 0.202 1.00 0.17 H new ATOM 0 HA LEU A 105 25.290 27.839 0.041 1.00 0.20 H new ATOM 0 HB2 LEU A 105 26.445 28.948 -1.908 1.00 0.24 H new ATOM 0 HB3 LEU A 105 27.860 27.957 -1.613 1.00 0.24 H new ATOM 0 HG LEU A 105 25.728 26.118 -1.646 1.00 0.16 H new ATOM 0 HD11 LEU A 105 24.599 26.475 -3.850 1.00 0.13 H new ATOM 0 HD12 LEU A 105 24.209 27.763 -2.686 1.00 0.13 H new ATOM 0 HD13 LEU A 105 25.391 28.063 -3.983 1.00 0.13 H new ATOM 0 HD21 LEU A 105 26.748 25.367 -3.826 1.00 0.23 H new ATOM 0 HD22 LEU A 105 27.627 26.912 -3.920 1.00 0.23 H new ATOM 0 HD23 LEU A 105 27.993 25.758 -2.615 1.00 0.23 H new ATOM 1594 N ARG A 106 28.244 26.527 0.726 1.00 0.18 N ATOM 1595 CA ARG A 106 28.851 25.296 1.289 1.00 0.18 C ATOM 1596 C ARG A 106 28.254 25.074 2.674 1.00 0.16 C ATOM 1597 O ARG A 106 28.027 23.961 3.093 1.00 0.14 O ATOM 1598 CB ARG A 106 30.376 25.471 1.400 1.00 0.21 C ATOM 1599 CG ARG A 106 31.041 25.144 0.061 1.00 0.74 C ATOM 1600 CD ARG A 106 32.473 25.686 0.056 1.00 0.71 C ATOM 1601 NE ARG A 106 33.224 25.108 1.206 1.00 0.41 N ATOM 1602 CZ ARG A 106 34.527 25.197 1.249 1.00 1.02 C ATOM 1603 NH1 ARG A 106 35.173 25.799 0.289 1.00 2.08 N ATOM 1604 NH2 ARG A 106 35.183 24.684 2.256 1.00 1.55 N ATOM 0 H ARG A 106 28.895 27.286 0.524 1.00 0.18 H new ATOM 0 HA ARG A 106 28.647 24.441 0.645 1.00 0.18 H new ATOM 0 HB2 ARG A 106 30.612 26.494 1.692 1.00 0.21 H new ATOM 0 HB3 ARG A 106 30.769 24.818 2.179 1.00 0.21 H new ATOM 0 HG2 ARG A 106 31.048 24.066 -0.100 1.00 0.74 H new ATOM 0 HG3 ARG A 106 30.471 25.584 -0.757 1.00 0.74 H new ATOM 0 HD2 ARG A 106 32.967 25.430 -0.881 1.00 0.71 H new ATOM 0 HD3 ARG A 106 32.462 26.774 0.124 1.00 0.71 H new ATOM 0 HE ARG A 106 32.720 24.642 1.961 1.00 0.41 H new ATOM 0 HH11 ARG A 106 34.661 26.201 -0.496 1.00 2.08 H new ATOM 0 HH12 ARG A 106 36.190 25.868 0.324 1.00 2.08 H new ATOM 0 HH21 ARG A 106 34.678 24.215 3.008 1.00 1.55 H new ATOM 0 HH22 ARG A 106 36.200 24.753 2.290 1.00 1.55 H new ATOM 1618 N HIS A 107 27.994 26.139 3.377 1.00 0.17 N ATOM 1619 CA HIS A 107 27.411 26.019 4.733 1.00 0.17 C ATOM 1620 C HIS A 107 25.973 25.500 4.631 1.00 0.13 C ATOM 1621 O HIS A 107 25.550 24.670 5.412 1.00 0.11 O ATOM 1622 CB HIS A 107 27.433 27.406 5.387 1.00 0.19 C ATOM 1623 CG HIS A 107 27.382 27.266 6.882 1.00 0.21 C ATOM 1624 ND1 HIS A 107 28.323 26.540 7.594 1.00 0.50 N ATOM 1625 CD2 HIS A 107 26.507 27.756 7.808 1.00 0.21 C ATOM 1626 CE1 HIS A 107 27.991 26.617 8.896 1.00 0.42 C ATOM 1627 NE2 HIS A 107 26.889 27.349 9.083 1.00 0.18 N ATOM 0 H HIS A 107 28.163 27.095 3.064 1.00 0.17 H new ATOM 0 HA HIS A 107 27.987 25.317 5.336 1.00 0.17 H new ATOM 0 HB2 HIS A 107 28.336 27.942 5.094 1.00 0.19 H new ATOM 0 HB3 HIS A 107 26.585 27.996 5.039 1.00 0.19 H new ATOM 0 HD2 HIS A 107 25.646 28.369 7.584 1.00 0.21 H new ATOM 0 HE1 HIS A 107 28.547 26.145 9.692 1.00 0.42 H new ATOM 0 HE2 HIS A 107 26.428 27.563 9.967 1.00 0.18 H new ATOM 1635 N VAL A 108 25.213 25.972 3.677 1.00 0.12 N ATOM 1636 CA VAL A 108 23.814 25.482 3.542 1.00 0.09 C ATOM 1637 C VAL A 108 23.847 23.971 3.332 1.00 0.08 C ATOM 1638 O VAL A 108 23.003 23.242 3.817 1.00 0.08 O ATOM 1639 CB VAL A 108 23.151 26.094 2.298 1.00 0.08 C ATOM 1640 CG1 VAL A 108 21.740 25.489 2.132 1.00 0.10 C ATOM 1641 CG2 VAL A 108 23.059 27.625 2.442 1.00 0.18 C ATOM 0 H VAL A 108 25.500 26.670 2.991 1.00 0.12 H new ATOM 0 HA VAL A 108 23.259 25.757 4.439 1.00 0.09 H new ATOM 0 HB VAL A 108 23.751 25.868 1.417 1.00 0.08 H new ATOM 0 HG11 VAL A 108 21.262 25.918 1.251 1.00 0.10 H new ATOM 0 HG12 VAL A 108 21.819 24.408 2.012 1.00 0.10 H new ATOM 0 HG13 VAL A 108 21.142 25.713 3.015 1.00 0.10 H new ATOM 0 HG21 VAL A 108 22.587 28.046 1.554 1.00 0.18 H new ATOM 0 HG22 VAL A 108 22.464 27.873 3.321 1.00 0.18 H new ATOM 0 HG23 VAL A 108 24.060 28.041 2.553 1.00 0.18 H new ATOM 1651 N MET A 109 24.803 23.502 2.564 1.00 0.10 N ATOM 1652 CA MET A 109 24.874 22.049 2.264 1.00 0.14 C ATOM 1653 C MET A 109 25.362 21.253 3.491 1.00 0.19 C ATOM 1654 O MET A 109 24.998 20.107 3.668 1.00 0.23 O ATOM 1655 CB MET A 109 25.819 21.815 1.072 1.00 0.15 C ATOM 1656 CG MET A 109 25.334 22.624 -0.135 1.00 0.13 C ATOM 1657 SD MET A 109 26.688 22.800 -1.327 1.00 0.19 S ATOM 1658 CE MET A 109 26.303 21.353 -2.342 1.00 0.27 C ATOM 0 H MET A 109 25.534 24.069 2.135 1.00 0.10 H new ATOM 0 HA MET A 109 23.874 21.698 2.011 1.00 0.14 H new ATOM 0 HB2 MET A 109 26.834 22.111 1.336 1.00 0.15 H new ATOM 0 HB3 MET A 109 25.851 20.754 0.823 1.00 0.15 H new ATOM 0 HG2 MET A 109 24.485 22.125 -0.603 1.00 0.13 H new ATOM 0 HG3 MET A 109 24.989 23.606 0.187 1.00 0.13 H new ATOM 0 HE1 MET A 109 26.985 21.312 -3.191 1.00 0.27 H new ATOM 0 HE2 MET A 109 26.414 20.449 -1.744 1.00 0.27 H new ATOM 0 HE3 MET A 109 25.277 21.425 -2.704 1.00 0.27 H new ATOM 1668 N THR A 110 26.189 21.830 4.335 1.00 0.22 N ATOM 1669 CA THR A 110 26.689 21.086 5.520 1.00 0.28 C ATOM 1670 C THR A 110 25.685 21.197 6.683 1.00 0.25 C ATOM 1671 O THR A 110 25.403 20.232 7.365 1.00 0.28 O ATOM 1672 CB THR A 110 28.060 21.689 5.923 1.00 0.34 C ATOM 1673 OG1 THR A 110 28.416 22.688 4.986 1.00 0.35 O ATOM 1674 CG2 THR A 110 29.146 20.612 5.927 1.00 0.41 C ATOM 0 H THR A 110 26.535 22.786 4.247 1.00 0.22 H new ATOM 0 HA THR A 110 26.804 20.029 5.281 1.00 0.28 H new ATOM 0 HB THR A 110 27.975 22.111 6.925 1.00 0.34 H new ATOM 0 HG1 THR A 110 29.281 23.076 5.234 1.00 0.35 H new ATOM 0 HG21 THR A 110 30.099 21.057 6.212 1.00 0.41 H new ATOM 0 HG22 THR A 110 28.882 19.832 6.641 1.00 0.41 H new ATOM 0 HG23 THR A 110 29.232 20.178 4.931 1.00 0.41 H new ATOM 1682 N ASN A 111 25.153 22.367 6.920 1.00 0.21 N ATOM 1683 CA ASN A 111 24.190 22.534 8.047 1.00 0.17 C ATOM 1684 C ASN A 111 22.964 21.657 7.819 1.00 0.13 C ATOM 1685 O ASN A 111 22.291 21.251 8.747 1.00 0.13 O ATOM 1686 CB ASN A 111 23.760 24.000 8.135 1.00 0.16 C ATOM 1687 CG ASN A 111 22.886 24.204 9.374 1.00 0.54 C ATOM 1688 OD1 ASN A 111 21.739 24.589 9.262 1.00 1.12 O ATOM 1689 ND2 ASN A 111 23.381 23.961 10.555 1.00 1.11 N ATOM 0 H ASN A 111 25.344 23.213 6.383 1.00 0.21 H new ATOM 0 HA ASN A 111 24.673 22.237 8.978 1.00 0.17 H new ATOM 0 HB2 ASN A 111 24.637 24.645 8.186 1.00 0.16 H new ATOM 0 HB3 ASN A 111 23.209 24.282 7.238 1.00 0.16 H new ATOM 0 HD21 ASN A 111 22.805 24.094 11.386 1.00 1.11 H new ATOM 0 HD22 ASN A 111 24.344 23.638 10.648 1.00 1.11 H new ATOM 1696 N LEU A 112 22.662 21.375 6.590 1.00 0.16 N ATOM 1697 CA LEU A 112 21.467 20.534 6.286 1.00 0.13 C ATOM 1698 C LEU A 112 21.609 19.161 6.941 1.00 0.18 C ATOM 1699 O LEU A 112 20.640 18.507 7.274 1.00 0.21 O ATOM 1700 CB LEU A 112 21.312 20.388 4.759 1.00 0.16 C ATOM 1701 CG LEU A 112 20.434 21.527 4.206 1.00 0.21 C ATOM 1702 CD1 LEU A 112 20.443 21.492 2.669 1.00 0.28 C ATOM 1703 CD2 LEU A 112 18.980 21.390 4.724 1.00 0.16 C ATOM 0 H LEU A 112 23.189 21.689 5.775 1.00 0.16 H new ATOM 0 HA LEU A 112 20.576 21.017 6.688 1.00 0.13 H new ATOM 0 HB2 LEU A 112 22.292 20.409 4.282 1.00 0.16 H new ATOM 0 HB3 LEU A 112 20.863 19.424 4.522 1.00 0.16 H new ATOM 0 HG LEU A 112 20.840 22.479 4.549 1.00 0.21 H new ATOM 0 HD11 LEU A 112 19.821 22.299 2.283 1.00 0.28 H new ATOM 0 HD12 LEU A 112 21.464 21.617 2.308 1.00 0.28 H new ATOM 0 HD13 LEU A 112 20.051 20.535 2.325 1.00 0.28 H new ATOM 0 HD21 LEU A 112 18.373 22.202 4.324 1.00 0.16 H new ATOM 0 HD22 LEU A 112 18.567 20.435 4.400 1.00 0.16 H new ATOM 0 HD23 LEU A 112 18.976 21.436 5.813 1.00 0.16 H new ATOM 1715 N GLY A 113 22.807 18.735 7.123 1.00 0.25 N ATOM 1716 CA GLY A 113 23.059 17.406 7.757 1.00 0.36 C ATOM 1717 C GLY A 113 23.148 16.331 6.674 1.00 0.28 C ATOM 1718 O GLY A 113 22.842 15.177 6.899 1.00 0.41 O ATOM 0 H GLY A 113 23.647 19.250 6.860 1.00 0.25 H new ATOM 0 HA2 GLY A 113 23.985 17.435 8.332 1.00 0.36 H new ATOM 0 HA3 GLY A 113 22.257 17.167 8.456 1.00 0.36 H new ATOM 1722 N GLU A 114 23.563 16.705 5.498 1.00 0.16 N ATOM 1723 CA GLU A 114 23.676 15.722 4.393 1.00 0.28 C ATOM 1724 C GLU A 114 24.981 14.920 4.564 1.00 0.20 C ATOM 1725 O GLU A 114 25.959 15.435 5.066 1.00 0.19 O ATOM 1726 CB GLU A 114 23.702 16.491 3.061 1.00 0.41 C ATOM 1727 CG GLU A 114 22.305 17.029 2.756 1.00 0.46 C ATOM 1728 CD GLU A 114 21.377 15.865 2.396 1.00 0.99 C ATOM 1729 OE1 GLU A 114 21.597 15.257 1.362 1.00 1.44 O ATOM 1730 OE2 GLU A 114 20.465 15.603 3.162 1.00 1.89 O ATOM 0 H GLU A 114 23.831 17.659 5.255 1.00 0.16 H new ATOM 0 HA GLU A 114 22.831 15.033 4.404 1.00 0.28 H new ATOM 0 HB2 GLU A 114 24.416 17.313 3.117 1.00 0.41 H new ATOM 0 HB3 GLU A 114 24.034 15.835 2.256 1.00 0.41 H new ATOM 0 HG2 GLU A 114 21.914 17.566 3.620 1.00 0.46 H new ATOM 0 HG3 GLU A 114 22.350 17.741 1.932 1.00 0.46 H new ATOM 1737 N LYS A 115 25.016 13.669 4.157 1.00 0.24 N ATOM 1738 CA LYS A 115 26.269 12.879 4.309 1.00 0.19 C ATOM 1739 C LYS A 115 27.215 13.263 3.182 1.00 0.15 C ATOM 1740 O LYS A 115 27.848 12.439 2.552 1.00 0.21 O ATOM 1741 CB LYS A 115 25.949 11.392 4.223 1.00 0.31 C ATOM 1742 CG LYS A 115 25.354 10.906 5.549 1.00 0.37 C ATOM 1743 CD LYS A 115 24.672 9.552 5.338 1.00 0.66 C ATOM 1744 CE LYS A 115 24.114 9.050 6.673 1.00 0.69 C ATOM 1745 NZ LYS A 115 25.238 8.600 7.542 1.00 1.56 N ATOM 0 H LYS A 115 24.235 13.171 3.731 1.00 0.24 H new ATOM 0 HA LYS A 115 26.730 13.086 5.275 1.00 0.19 H new ATOM 0 HB2 LYS A 115 25.245 11.209 3.411 1.00 0.31 H new ATOM 0 HB3 LYS A 115 26.854 10.830 3.993 1.00 0.31 H new ATOM 0 HG2 LYS A 115 26.138 10.817 6.301 1.00 0.37 H new ATOM 0 HG3 LYS A 115 24.634 11.633 5.925 1.00 0.37 H new ATOM 0 HD2 LYS A 115 23.868 9.647 4.608 1.00 0.66 H new ATOM 0 HD3 LYS A 115 25.385 8.832 4.935 1.00 0.66 H new ATOM 0 HE2 LYS A 115 23.553 9.844 7.167 1.00 0.69 H new ATOM 0 HE3 LYS A 115 23.419 8.227 6.503 1.00 0.69 H new ATOM 0 HZ1 LYS A 115 24.861 8.047 8.338 1.00 1.56 H new ATOM 0 HZ2 LYS A 115 25.890 8.009 6.988 1.00 1.56 H new ATOM 0 HZ3 LYS A 115 25.748 9.430 7.907 1.00 1.56 H new ATOM 1759 N LEU A 116 27.296 14.526 2.945 1.00 0.11 N ATOM 1760 CA LEU A 116 28.183 15.064 1.868 1.00 0.20 C ATOM 1761 C LEU A 116 29.602 15.249 2.419 1.00 0.16 C ATOM 1762 O LEU A 116 29.800 15.645 3.549 1.00 0.29 O ATOM 1763 CB LEU A 116 27.579 16.388 1.315 1.00 0.31 C ATOM 1764 CG LEU A 116 28.268 17.607 1.932 1.00 2.22 C ATOM 1765 CD1 LEU A 116 29.685 17.780 1.329 1.00 3.11 C ATOM 1766 CD2 LEU A 116 27.416 18.854 1.668 1.00 3.30 C ATOM 0 H LEU A 116 26.776 15.237 3.459 1.00 0.11 H new ATOM 0 HA LEU A 116 28.247 14.362 1.036 1.00 0.20 H new ATOM 0 HB2 LEU A 116 27.687 16.416 0.231 1.00 0.31 H new ATOM 0 HB3 LEU A 116 26.511 16.422 1.530 1.00 0.31 H new ATOM 0 HG LEU A 116 28.370 17.464 3.008 1.00 2.22 H new ATOM 0 HD11 LEU A 116 30.166 18.650 1.775 1.00 3.11 H new ATOM 0 HD12 LEU A 116 30.280 16.890 1.536 1.00 3.11 H new ATOM 0 HD13 LEU A 116 29.607 17.921 0.251 1.00 3.11 H new ATOM 0 HD21 LEU A 116 27.902 19.726 2.105 1.00 3.30 H new ATOM 0 HD22 LEU A 116 27.308 19.000 0.593 1.00 3.30 H new ATOM 0 HD23 LEU A 116 26.432 18.724 2.117 1.00 3.30 H new ATOM 1778 N THR A 117 30.587 14.996 1.593 1.00 0.26 N ATOM 1779 CA THR A 117 32.011 15.184 2.005 1.00 0.23 C ATOM 1780 C THR A 117 32.548 16.433 1.303 1.00 0.24 C ATOM 1781 O THR A 117 32.158 16.750 0.195 1.00 0.23 O ATOM 1782 CB THR A 117 32.836 13.968 1.583 1.00 0.17 C ATOM 1783 OG1 THR A 117 32.861 13.883 0.164 1.00 0.30 O ATOM 1784 CG2 THR A 117 32.212 12.700 2.163 1.00 0.28 C ATOM 0 H THR A 117 30.462 14.662 0.637 1.00 0.26 H new ATOM 0 HA THR A 117 32.078 15.296 3.087 1.00 0.23 H new ATOM 0 HB THR A 117 33.854 14.071 1.958 1.00 0.17 H new ATOM 0 HG1 THR A 117 31.963 13.673 -0.167 1.00 0.30 H new ATOM 0 HG21 THR A 117 32.801 11.834 1.861 1.00 0.28 H new ATOM 0 HG22 THR A 117 32.196 12.767 3.251 1.00 0.28 H new ATOM 0 HG23 THR A 117 31.193 12.593 1.791 1.00 0.28 H new ATOM 1792 N ASP A 118 33.424 17.158 1.935 1.00 0.27 N ATOM 1793 CA ASP A 118 33.959 18.398 1.300 1.00 0.29 C ATOM 1794 C ASP A 118 34.553 18.082 -0.075 1.00 0.29 C ATOM 1795 O ASP A 118 34.561 18.916 -0.961 1.00 0.26 O ATOM 1796 CB ASP A 118 35.046 18.997 2.197 1.00 0.30 C ATOM 1797 CG ASP A 118 34.421 19.465 3.513 1.00 0.38 C ATOM 1798 OD1 ASP A 118 33.205 19.532 3.578 1.00 1.25 O ATOM 1799 OD2 ASP A 118 35.170 19.749 4.434 1.00 1.31 O ATOM 0 H ASP A 118 33.794 16.949 2.862 1.00 0.27 H new ATOM 0 HA ASP A 118 33.144 19.111 1.175 1.00 0.29 H new ATOM 0 HB2 ASP A 118 35.820 18.255 2.393 1.00 0.30 H new ATOM 0 HB3 ASP A 118 35.528 19.835 1.693 1.00 0.30 H new ATOM 1804 N GLU A 119 35.056 16.897 -0.268 1.00 0.34 N ATOM 1805 CA GLU A 119 35.653 16.545 -1.589 1.00 0.34 C ATOM 1806 C GLU A 119 34.557 16.423 -2.652 1.00 0.34 C ATOM 1807 O GLU A 119 34.708 16.879 -3.770 1.00 0.42 O ATOM 1808 CB GLU A 119 36.397 15.212 -1.474 1.00 0.41 C ATOM 1809 CG GLU A 119 37.531 15.342 -0.454 1.00 0.46 C ATOM 1810 CD GLU A 119 36.952 15.319 0.963 1.00 1.14 C ATOM 1811 OE1 GLU A 119 36.175 14.422 1.249 1.00 1.35 O ATOM 1812 OE2 GLU A 119 37.295 16.198 1.737 1.00 2.33 O ATOM 0 H GLU A 119 35.081 16.155 0.431 1.00 0.34 H new ATOM 0 HA GLU A 119 36.347 17.332 -1.883 1.00 0.34 H new ATOM 0 HB2 GLU A 119 35.708 14.425 -1.168 1.00 0.41 H new ATOM 0 HB3 GLU A 119 36.799 14.924 -2.445 1.00 0.41 H new ATOM 0 HG2 GLU A 119 38.243 14.526 -0.580 1.00 0.46 H new ATOM 0 HG3 GLU A 119 38.078 16.270 -0.619 1.00 0.46 H new ATOM 1819 N GLU A 120 33.458 15.809 -2.324 1.00 0.31 N ATOM 1820 CA GLU A 120 32.373 15.662 -3.331 1.00 0.34 C ATOM 1821 C GLU A 120 31.903 17.045 -3.787 1.00 0.32 C ATOM 1822 O GLU A 120 31.702 17.280 -4.962 1.00 0.45 O ATOM 1823 CB GLU A 120 31.202 14.886 -2.723 1.00 0.39 C ATOM 1824 CG GLU A 120 31.560 13.400 -2.640 1.00 0.48 C ATOM 1825 CD GLU A 120 30.495 12.660 -1.832 1.00 0.52 C ATOM 1826 OE1 GLU A 120 30.224 13.080 -0.720 1.00 0.38 O ATOM 1827 OE2 GLU A 120 29.963 11.685 -2.339 1.00 0.77 O ATOM 0 H GLU A 120 33.264 15.404 -1.408 1.00 0.31 H new ATOM 0 HA GLU A 120 32.753 15.112 -4.192 1.00 0.34 H new ATOM 0 HB2 GLU A 120 30.974 15.272 -1.729 1.00 0.39 H new ATOM 0 HB3 GLU A 120 30.308 15.022 -3.331 1.00 0.39 H new ATOM 0 HG2 GLU A 120 31.630 12.976 -3.642 1.00 0.48 H new ATOM 0 HG3 GLU A 120 32.537 13.277 -2.172 1.00 0.48 H new ATOM 1834 N VAL A 121 31.732 17.962 -2.876 1.00 0.23 N ATOM 1835 CA VAL A 121 31.277 19.328 -3.269 1.00 0.33 C ATOM 1836 C VAL A 121 32.378 20.013 -4.085 1.00 0.24 C ATOM 1837 O VAL A 121 32.112 20.734 -5.025 1.00 0.26 O ATOM 1838 CB VAL A 121 30.944 20.139 -1.999 1.00 0.42 C ATOM 1839 CG1 VAL A 121 31.044 21.648 -2.273 1.00 0.36 C ATOM 1840 CG2 VAL A 121 29.509 19.816 -1.558 1.00 0.76 C ATOM 0 H VAL A 121 31.887 17.826 -1.877 1.00 0.23 H new ATOM 0 HA VAL A 121 30.379 19.264 -3.884 1.00 0.33 H new ATOM 0 HB VAL A 121 31.657 19.871 -1.220 1.00 0.42 H new ATOM 0 HG11 VAL A 121 30.805 22.200 -1.364 1.00 0.36 H new ATOM 0 HG12 VAL A 121 32.057 21.894 -2.591 1.00 0.36 H new ATOM 0 HG13 VAL A 121 30.341 21.922 -3.059 1.00 0.36 H new ATOM 0 HG21 VAL A 121 29.267 20.386 -0.661 1.00 0.76 H new ATOM 0 HG22 VAL A 121 28.815 20.082 -2.355 1.00 0.76 H new ATOM 0 HG23 VAL A 121 29.425 18.750 -1.345 1.00 0.76 H new ATOM 1850 N ASP A 122 33.607 19.796 -3.731 1.00 0.14 N ATOM 1851 CA ASP A 122 34.722 20.440 -4.489 1.00 0.09 C ATOM 1852 C ASP A 122 34.523 20.194 -5.990 1.00 0.19 C ATOM 1853 O ASP A 122 34.777 21.057 -6.806 1.00 0.22 O ATOM 1854 CB ASP A 122 36.069 19.864 -4.041 1.00 0.08 C ATOM 1855 CG ASP A 122 36.400 20.371 -2.636 1.00 0.02 C ATOM 1856 OD1 ASP A 122 35.728 21.286 -2.184 1.00 1.03 O ATOM 1857 OD2 ASP A 122 37.318 19.839 -2.036 1.00 1.00 O ATOM 0 H ASP A 122 33.894 19.203 -2.952 1.00 0.14 H new ATOM 0 HA ASP A 122 34.718 21.512 -4.291 1.00 0.09 H new ATOM 0 HB2 ASP A 122 36.030 18.775 -4.046 1.00 0.08 H new ATOM 0 HB3 ASP A 122 36.853 20.158 -4.739 1.00 0.08 H new ATOM 1862 N GLU A 123 34.055 19.029 -6.362 1.00 0.29 N ATOM 1863 CA GLU A 123 33.828 18.754 -7.813 1.00 0.39 C ATOM 1864 C GLU A 123 32.578 19.525 -8.257 1.00 0.32 C ATOM 1865 O GLU A 123 32.514 20.067 -9.341 1.00 0.31 O ATOM 1866 CB GLU A 123 33.629 17.243 -8.030 1.00 0.55 C ATOM 1867 CG GLU A 123 34.987 16.553 -8.221 1.00 1.91 C ATOM 1868 CD GLU A 123 35.568 16.942 -9.582 1.00 2.93 C ATOM 1869 OE1 GLU A 123 35.027 16.506 -10.583 1.00 2.85 O ATOM 1870 OE2 GLU A 123 36.545 17.673 -9.601 1.00 4.17 O ATOM 0 H GLU A 123 33.822 18.263 -5.730 1.00 0.29 H new ATOM 0 HA GLU A 123 34.688 19.074 -8.400 1.00 0.39 H new ATOM 0 HB2 GLU A 123 33.110 16.810 -7.175 1.00 0.55 H new ATOM 0 HB3 GLU A 123 33.000 17.073 -8.904 1.00 0.55 H new ATOM 0 HG2 GLU A 123 35.671 16.845 -7.424 1.00 1.91 H new ATOM 0 HG3 GLU A 123 34.869 15.471 -8.159 1.00 1.91 H new ATOM 1877 N MET A 124 31.596 19.589 -7.408 1.00 0.28 N ATOM 1878 CA MET A 124 30.352 20.339 -7.742 1.00 0.23 C ATOM 1879 C MET A 124 30.711 21.812 -7.964 1.00 0.21 C ATOM 1880 O MET A 124 30.060 22.519 -8.707 1.00 0.18 O ATOM 1881 CB MET A 124 29.361 20.204 -6.596 1.00 0.24 C ATOM 1882 CG MET A 124 28.984 18.730 -6.396 1.00 0.28 C ATOM 1883 SD MET A 124 27.500 18.630 -5.357 1.00 0.17 S ATOM 1884 CE MET A 124 28.039 17.293 -4.256 1.00 0.86 C ATOM 0 H MET A 124 31.599 19.150 -6.487 1.00 0.28 H new ATOM 0 HA MET A 124 29.898 19.937 -8.648 1.00 0.23 H new ATOM 0 HB2 MET A 124 29.796 20.604 -5.680 1.00 0.24 H new ATOM 0 HB3 MET A 124 28.467 20.791 -6.807 1.00 0.24 H new ATOM 0 HG2 MET A 124 28.800 18.255 -7.360 1.00 0.28 H new ATOM 0 HG3 MET A 124 29.808 18.192 -5.927 1.00 0.28 H new ATOM 0 HE1 MET A 124 27.168 16.827 -3.796 1.00 0.86 H new ATOM 0 HE2 MET A 124 28.588 16.547 -4.831 1.00 0.86 H new ATOM 0 HE3 MET A 124 28.686 17.700 -3.479 1.00 0.86 H new ATOM 1894 N ILE A 125 31.754 22.272 -7.327 1.00 0.24 N ATOM 1895 CA ILE A 125 32.187 23.693 -7.488 1.00 0.23 C ATOM 1896 C ILE A 125 32.967 23.861 -8.807 1.00 0.24 C ATOM 1897 O ILE A 125 33.006 24.931 -9.378 1.00 0.23 O ATOM 1898 CB ILE A 125 33.083 24.060 -6.297 1.00 0.23 C ATOM 1899 CG1 ILE A 125 32.208 24.169 -5.038 1.00 0.20 C ATOM 1900 CG2 ILE A 125 33.787 25.395 -6.561 1.00 0.25 C ATOM 1901 CD1 ILE A 125 33.081 24.365 -3.796 1.00 0.20 C ATOM 0 H ILE A 125 32.332 21.718 -6.694 1.00 0.24 H new ATOM 0 HA ILE A 125 31.317 24.349 -7.519 1.00 0.23 H new ATOM 0 HB ILE A 125 33.842 23.291 -6.156 1.00 0.23 H new ATOM 0 HG12 ILE A 125 31.516 25.005 -5.140 1.00 0.20 H new ATOM 0 HG13 ILE A 125 31.605 23.268 -4.928 1.00 0.20 H new ATOM 0 HG21 ILE A 125 34.420 25.647 -5.710 1.00 0.25 H new ATOM 0 HG22 ILE A 125 34.400 25.312 -7.458 1.00 0.25 H new ATOM 0 HG23 ILE A 125 33.042 26.178 -6.703 1.00 0.25 H new ATOM 0 HD11 ILE A 125 32.446 24.440 -2.913 1.00 0.20 H new ATOM 0 HD12 ILE A 125 33.755 23.515 -3.687 1.00 0.20 H new ATOM 0 HD13 ILE A 125 33.665 25.279 -3.902 1.00 0.20 H new ATOM 1913 N ARG A 126 33.595 22.816 -9.288 1.00 0.26 N ATOM 1914 CA ARG A 126 34.378 22.925 -10.560 1.00 0.28 C ATOM 1915 C ARG A 126 33.459 23.358 -11.715 1.00 0.29 C ATOM 1916 O ARG A 126 33.751 24.298 -12.424 1.00 0.28 O ATOM 1917 CB ARG A 126 35.020 21.562 -10.888 1.00 0.32 C ATOM 1918 CG ARG A 126 36.376 21.425 -10.168 1.00 0.35 C ATOM 1919 CD ARG A 126 37.446 22.328 -10.823 1.00 1.79 C ATOM 1920 NE ARG A 126 38.734 21.574 -10.951 1.00 2.02 N ATOM 1921 CZ ARG A 126 39.227 20.901 -9.943 1.00 1.31 C ATOM 1922 NH1 ARG A 126 38.677 20.978 -8.764 1.00 0.74 N ATOM 1923 NH2 ARG A 126 40.302 20.175 -10.111 1.00 1.80 N ATOM 0 H ARG A 126 33.600 21.892 -8.855 1.00 0.26 H new ATOM 0 HA ARG A 126 35.159 23.674 -10.433 1.00 0.28 H new ATOM 0 HB2 ARG A 126 34.354 20.755 -10.582 1.00 0.32 H new ATOM 0 HB3 ARG A 126 35.161 21.468 -11.965 1.00 0.32 H new ATOM 0 HG2 ARG A 126 36.263 21.693 -9.118 1.00 0.35 H new ATOM 0 HG3 ARG A 126 36.704 20.386 -10.198 1.00 0.35 H new ATOM 0 HD2 ARG A 126 37.107 22.656 -11.805 1.00 1.79 H new ATOM 0 HD3 ARG A 126 37.597 23.225 -10.222 1.00 1.79 H new ATOM 0 HE ARG A 126 39.235 21.585 -11.839 1.00 2.02 H new ATOM 0 HH11 ARG A 126 37.856 21.566 -8.622 1.00 0.74 H new ATOM 0 HH12 ARG A 126 39.068 20.450 -7.984 1.00 0.74 H new ATOM 0 HH21 ARG A 126 40.753 20.135 -11.025 1.00 1.80 H new ATOM 0 HH22 ARG A 126 40.690 19.649 -9.328 1.00 1.80 H new ATOM 1937 N GLU A 127 32.369 22.666 -11.933 1.00 0.30 N ATOM 1938 CA GLU A 127 31.472 23.047 -13.070 1.00 0.30 C ATOM 1939 C GLU A 127 30.592 24.250 -12.684 1.00 0.26 C ATOM 1940 O GLU A 127 30.102 24.960 -13.540 1.00 0.27 O ATOM 1941 CB GLU A 127 30.586 21.845 -13.456 1.00 0.34 C ATOM 1942 CG GLU A 127 31.352 20.921 -14.410 1.00 0.47 C ATOM 1943 CD GLU A 127 30.462 19.741 -14.802 1.00 0.51 C ATOM 1944 OE1 GLU A 127 29.274 19.806 -14.533 1.00 1.61 O ATOM 1945 OE2 GLU A 127 30.984 18.793 -15.365 1.00 1.44 O ATOM 0 H GLU A 127 32.063 21.864 -11.382 1.00 0.30 H new ATOM 0 HA GLU A 127 32.087 23.331 -13.924 1.00 0.30 H new ATOM 0 HB2 GLU A 127 30.292 21.296 -12.561 1.00 0.34 H new ATOM 0 HB3 GLU A 127 29.670 22.195 -13.931 1.00 0.34 H new ATOM 0 HG2 GLU A 127 31.657 21.472 -15.300 1.00 0.47 H new ATOM 0 HG3 GLU A 127 32.262 20.560 -13.931 1.00 0.47 H new ATOM 1952 N ALA A 128 30.425 24.522 -11.415 1.00 0.22 N ATOM 1953 CA ALA A 128 29.632 25.703 -11.001 1.00 0.19 C ATOM 1954 C ALA A 128 30.605 26.852 -10.886 1.00 0.15 C ATOM 1955 O ALA A 128 30.974 27.232 -9.802 1.00 0.17 O ATOM 1956 CB ALA A 128 28.982 25.480 -9.641 1.00 0.19 C ATOM 0 H ALA A 128 30.809 23.969 -10.648 1.00 0.22 H new ATOM 0 HA ALA A 128 28.841 25.895 -11.725 1.00 0.19 H new ATOM 0 HB1 ALA A 128 28.407 26.363 -9.363 1.00 0.19 H new ATOM 0 HB2 ALA A 128 28.319 24.616 -9.692 1.00 0.19 H new ATOM 0 HB3 ALA A 128 29.755 25.301 -8.893 1.00 0.19 H new ATOM 1962 N ASP A 129 31.035 27.364 -11.999 1.00 0.14 N ATOM 1963 CA ASP A 129 32.027 28.483 -12.020 1.00 0.11 C ATOM 1964 C ASP A 129 31.705 29.463 -10.899 1.00 0.14 C ATOM 1965 O ASP A 129 31.033 30.462 -11.074 1.00 0.19 O ATOM 1966 CB ASP A 129 31.937 29.195 -13.370 1.00 0.14 C ATOM 1967 CG ASP A 129 32.034 28.170 -14.502 1.00 1.06 C ATOM 1968 OD1 ASP A 129 31.895 26.991 -14.225 1.00 1.95 O ATOM 1969 OD2 ASP A 129 32.249 28.584 -15.630 1.00 1.67 O ATOM 0 H ASP A 129 30.736 27.050 -12.922 1.00 0.14 H new ATOM 0 HA ASP A 129 33.035 28.094 -11.876 1.00 0.11 H new ATOM 0 HB2 ASP A 129 30.997 29.742 -13.441 1.00 0.14 H new ATOM 0 HB3 ASP A 129 32.739 29.927 -13.460 1.00 0.14 H new ATOM 1974 N ILE A 130 32.145 29.119 -9.727 1.00 0.17 N ATOM 1975 CA ILE A 130 31.859 29.921 -8.515 1.00 0.26 C ATOM 1976 C ILE A 130 32.787 31.129 -8.413 1.00 0.36 C ATOM 1977 O ILE A 130 32.729 31.917 -7.491 1.00 0.59 O ATOM 1978 CB ILE A 130 32.034 28.959 -7.324 1.00 0.24 C ATOM 1979 CG1 ILE A 130 30.752 28.050 -7.154 1.00 0.23 C ATOM 1980 CG2 ILE A 130 32.390 29.733 -6.057 1.00 0.28 C ATOM 1981 CD1 ILE A 130 30.234 28.019 -5.699 1.00 0.28 C ATOM 0 H ILE A 130 32.710 28.287 -9.555 1.00 0.17 H new ATOM 0 HA ILE A 130 30.851 30.334 -8.539 1.00 0.26 H new ATOM 0 HB ILE A 130 32.869 28.287 -7.523 1.00 0.24 H new ATOM 0 HG12 ILE A 130 29.962 28.417 -7.809 1.00 0.23 H new ATOM 0 HG13 ILE A 130 30.986 27.035 -7.474 1.00 0.23 H new ATOM 0 HG21 ILE A 130 32.510 29.037 -5.227 1.00 0.28 H new ATOM 0 HG22 ILE A 130 33.322 30.276 -6.212 1.00 0.28 H new ATOM 0 HG23 ILE A 130 31.593 30.439 -5.826 1.00 0.28 H new ATOM 0 HD11 ILE A 130 29.353 27.380 -5.640 1.00 0.28 H new ATOM 0 HD12 ILE A 130 31.012 27.626 -5.044 1.00 0.28 H new ATOM 0 HD13 ILE A 130 29.971 29.029 -5.385 1.00 0.28 H new ATOM 1993 N ASP A 131 33.597 31.278 -9.376 1.00 0.24 N ATOM 1994 CA ASP A 131 34.539 32.409 -9.450 1.00 0.31 C ATOM 1995 C ASP A 131 34.097 33.262 -10.617 1.00 0.50 C ATOM 1996 O ASP A 131 32.953 33.223 -11.028 1.00 0.65 O ATOM 1997 CB ASP A 131 35.975 31.891 -9.672 1.00 0.11 C ATOM 1998 CG ASP A 131 36.971 33.020 -9.394 1.00 0.21 C ATOM 1999 OD1 ASP A 131 36.883 33.613 -8.331 1.00 1.20 O ATOM 2000 OD2 ASP A 131 37.804 33.272 -10.248 1.00 1.01 O ATOM 0 H ASP A 131 33.659 30.634 -10.165 1.00 0.24 H new ATOM 0 HA ASP A 131 34.540 32.985 -8.525 1.00 0.31 H new ATOM 0 HB2 ASP A 131 36.174 31.045 -9.014 1.00 0.11 H new ATOM 0 HB3 ASP A 131 36.090 31.533 -10.695 1.00 0.11 H new ATOM 2005 N GLY A 132 34.969 34.032 -11.148 1.00 0.54 N ATOM 2006 CA GLY A 132 34.582 34.902 -12.285 1.00 0.77 C ATOM 2007 C GLY A 132 33.612 35.976 -11.779 1.00 0.85 C ATOM 2008 O GLY A 132 33.503 37.040 -12.357 1.00 1.05 O ATOM 0 H GLY A 132 35.942 34.106 -10.852 1.00 0.54 H new ATOM 0 HA2 GLY A 132 35.466 35.367 -12.722 1.00 0.77 H new ATOM 0 HA3 GLY A 132 34.113 34.310 -13.070 1.00 0.77 H new ATOM 2012 N ASP A 133 32.905 35.702 -10.702 1.00 0.70 N ATOM 2013 CA ASP A 133 31.937 36.702 -10.148 1.00 0.79 C ATOM 2014 C ASP A 133 32.176 36.856 -8.643 1.00 0.57 C ATOM 2015 O ASP A 133 32.870 37.750 -8.203 1.00 0.54 O ATOM 2016 CB ASP A 133 30.511 36.206 -10.387 1.00 0.93 C ATOM 2017 CG ASP A 133 29.519 37.150 -9.709 1.00 1.25 C ATOM 2018 OD1 ASP A 133 29.942 38.213 -9.280 1.00 1.25 O ATOM 2019 OD2 ASP A 133 28.354 36.799 -9.630 1.00 2.32 O ATOM 0 H ASP A 133 32.959 34.825 -10.184 1.00 0.70 H new ATOM 0 HA ASP A 133 32.078 37.664 -10.641 1.00 0.79 H new ATOM 0 HB2 ASP A 133 30.307 36.155 -11.457 1.00 0.93 H new ATOM 0 HB3 ASP A 133 30.395 35.196 -9.992 1.00 0.93 H new ATOM 2024 N GLY A 134 31.605 35.988 -7.855 1.00 0.43 N ATOM 2025 CA GLY A 134 31.794 36.074 -6.372 1.00 0.27 C ATOM 2026 C GLY A 134 30.575 35.478 -5.667 1.00 0.23 C ATOM 2027 O GLY A 134 30.679 34.922 -4.591 1.00 0.26 O ATOM 0 H GLY A 134 31.013 35.219 -8.171 1.00 0.43 H new ATOM 0 HA2 GLY A 134 32.696 35.537 -6.078 1.00 0.27 H new ATOM 0 HA3 GLY A 134 31.929 37.113 -6.072 1.00 0.27 H new ATOM 2031 N GLN A 135 29.422 35.583 -6.275 1.00 0.19 N ATOM 2032 CA GLN A 135 28.170 35.024 -5.672 1.00 0.15 C ATOM 2033 C GLN A 135 27.520 34.087 -6.694 1.00 0.20 C ATOM 2034 O GLN A 135 27.709 34.241 -7.886 1.00 0.29 O ATOM 2035 CB GLN A 135 27.214 36.174 -5.343 1.00 0.15 C ATOM 2036 CG GLN A 135 27.991 37.316 -4.675 1.00 0.19 C ATOM 2037 CD GLN A 135 27.024 38.218 -3.902 1.00 0.33 C ATOM 2038 OE1 GLN A 135 26.348 37.770 -2.998 1.00 0.74 O ATOM 2039 NE2 GLN A 135 26.932 39.480 -4.223 1.00 0.62 N ATOM 0 H GLN A 135 29.291 36.039 -7.178 1.00 0.19 H new ATOM 0 HA GLN A 135 28.398 34.476 -4.758 1.00 0.15 H new ATOM 0 HB2 GLN A 135 26.733 36.532 -6.253 1.00 0.15 H new ATOM 0 HB3 GLN A 135 26.422 35.824 -4.681 1.00 0.15 H new ATOM 0 HG2 GLN A 135 28.743 36.910 -3.999 1.00 0.19 H new ATOM 0 HG3 GLN A 135 28.521 37.897 -5.429 1.00 0.19 H new ATOM 0 HE21 GLN A 135 27.500 39.856 -4.982 1.00 0.62 H new ATOM 0 HE22 GLN A 135 26.292 40.090 -3.714 1.00 0.62 H new ATOM 2048 N VAL A 136 26.779 33.103 -6.249 1.00 0.14 N ATOM 2049 CA VAL A 136 26.148 32.149 -7.206 1.00 0.18 C ATOM 2050 C VAL A 136 24.741 31.794 -6.721 1.00 0.15 C ATOM 2051 O VAL A 136 24.479 31.739 -5.534 1.00 0.13 O ATOM 2052 CB VAL A 136 26.993 30.861 -7.224 1.00 0.18 C ATOM 2053 CG1 VAL A 136 26.860 30.120 -8.564 1.00 0.24 C ATOM 2054 CG2 VAL A 136 28.465 31.197 -6.980 1.00 0.19 C ATOM 0 H VAL A 136 26.585 32.921 -5.264 1.00 0.14 H new ATOM 0 HA VAL A 136 26.094 32.598 -8.198 1.00 0.18 H new ATOM 0 HB VAL A 136 26.622 30.212 -6.431 1.00 0.18 H new ATOM 0 HG11 VAL A 136 27.469 29.216 -8.542 1.00 0.24 H new ATOM 0 HG12 VAL A 136 25.817 29.851 -8.729 1.00 0.24 H new ATOM 0 HG13 VAL A 136 27.200 30.767 -9.373 1.00 0.24 H new ATOM 0 HG21 VAL A 136 29.055 30.280 -6.994 1.00 0.19 H new ATOM 0 HG22 VAL A 136 28.819 31.869 -7.762 1.00 0.19 H new ATOM 0 HG23 VAL A 136 28.572 31.682 -6.010 1.00 0.19 H new ATOM 2064 N ASN A 137 23.848 31.509 -7.624 1.00 0.22 N ATOM 2065 CA ASN A 137 22.499 31.108 -7.227 1.00 0.23 C ATOM 2066 C ASN A 137 22.564 29.630 -6.837 1.00 0.15 C ATOM 2067 O ASN A 137 23.452 28.914 -7.253 1.00 0.21 O ATOM 2068 CB ASN A 137 21.576 31.305 -8.418 1.00 0.28 C ATOM 2069 CG ASN A 137 22.293 30.877 -9.700 1.00 1.24 C ATOM 2070 OD1 ASN A 137 22.827 29.788 -9.777 1.00 1.71 O ATOM 2071 ND2 ASN A 137 22.330 31.695 -10.715 1.00 2.35 N ATOM 0 H ASN A 137 24.010 31.541 -8.630 1.00 0.22 H new ATOM 0 HA ASN A 137 22.125 31.696 -6.389 1.00 0.23 H new ATOM 0 HB2 ASN A 137 20.666 30.720 -8.286 1.00 0.28 H new ATOM 0 HB3 ASN A 137 21.276 32.350 -8.489 1.00 0.28 H new ATOM 0 HD21 ASN A 137 22.807 31.421 -11.574 1.00 2.35 H new ATOM 0 HD22 ASN A 137 21.882 32.609 -10.650 1.00 2.35 H new ATOM 2078 N TYR A 138 21.662 29.176 -6.024 1.00 0.29 N ATOM 2079 CA TYR A 138 21.703 27.745 -5.582 1.00 0.21 C ATOM 2080 C TYR A 138 20.885 26.842 -6.526 1.00 0.18 C ATOM 2081 O TYR A 138 21.140 25.659 -6.603 1.00 0.16 O ATOM 2082 CB TYR A 138 21.150 27.651 -4.142 1.00 0.30 C ATOM 2083 CG TYR A 138 20.185 28.789 -3.896 1.00 0.22 C ATOM 2084 CD1 TYR A 138 20.669 30.043 -3.496 1.00 1.15 C ATOM 2085 CD2 TYR A 138 18.811 28.597 -4.083 1.00 0.84 C ATOM 2086 CE1 TYR A 138 19.774 31.100 -3.287 1.00 1.38 C ATOM 2087 CE2 TYR A 138 17.921 29.650 -3.870 1.00 0.62 C ATOM 2088 CZ TYR A 138 18.400 30.904 -3.471 1.00 0.58 C ATOM 2089 OH TYR A 138 17.522 31.948 -3.267 1.00 0.80 O ATOM 0 H TYR A 138 20.894 29.727 -5.641 1.00 0.29 H new ATOM 0 HA TYR A 138 22.736 27.397 -5.609 1.00 0.21 H new ATOM 0 HB2 TYR A 138 20.646 26.695 -3.996 1.00 0.30 H new ATOM 0 HB3 TYR A 138 21.969 27.693 -3.423 1.00 0.30 H new ATOM 0 HD1 TYR A 138 21.728 30.193 -3.350 1.00 1.15 H new ATOM 0 HD2 TYR A 138 18.439 27.632 -4.393 1.00 0.84 H new ATOM 0 HE1 TYR A 138 20.144 32.068 -2.983 1.00 1.38 H new ATOM 0 HE2 TYR A 138 16.861 29.498 -4.013 1.00 0.62 H new ATOM 0 HH TYR A 138 16.606 31.644 -3.439 1.00 0.80 H new ATOM 2099 N GLU A 139 19.907 27.367 -7.232 1.00 0.20 N ATOM 2100 CA GLU A 139 19.080 26.511 -8.144 1.00 0.17 C ATOM 2101 C GLU A 139 19.956 25.486 -8.878 1.00 0.13 C ATOM 2102 O GLU A 139 19.599 24.332 -8.994 1.00 0.16 O ATOM 2103 CB GLU A 139 18.348 27.398 -9.167 1.00 0.15 C ATOM 2104 CG GLU A 139 17.098 28.010 -8.528 1.00 1.21 C ATOM 2105 CD GLU A 139 17.491 28.781 -7.266 1.00 2.79 C ATOM 2106 OE1 GLU A 139 18.183 29.777 -7.398 1.00 3.05 O ATOM 2107 OE2 GLU A 139 17.090 28.363 -6.192 1.00 4.04 O ATOM 0 H GLU A 139 19.647 28.353 -7.215 1.00 0.20 H new ATOM 0 HA GLU A 139 18.351 25.970 -7.541 1.00 0.17 H new ATOM 0 HB2 GLU A 139 19.012 28.188 -9.517 1.00 0.15 H new ATOM 0 HB3 GLU A 139 18.069 26.807 -10.039 1.00 0.15 H new ATOM 0 HG2 GLU A 139 16.605 28.677 -9.235 1.00 1.21 H new ATOM 0 HG3 GLU A 139 16.383 27.225 -8.279 1.00 1.21 H new ATOM 2114 N GLU A 140 21.097 25.885 -9.365 1.00 0.10 N ATOM 2115 CA GLU A 140 21.969 24.908 -10.073 1.00 0.07 C ATOM 2116 C GLU A 140 22.581 23.953 -9.050 1.00 0.07 C ATOM 2117 O GLU A 140 22.656 22.755 -9.261 1.00 0.08 O ATOM 2118 CB GLU A 140 23.083 25.655 -10.809 1.00 0.05 C ATOM 2119 CG GLU A 140 22.472 26.534 -11.900 1.00 0.82 C ATOM 2120 CD GLU A 140 21.938 25.649 -13.029 1.00 1.45 C ATOM 2121 OE1 GLU A 140 22.679 24.795 -13.486 1.00 1.62 O ATOM 2122 OE2 GLU A 140 20.797 25.839 -13.415 1.00 2.68 O ATOM 0 H GLU A 140 21.461 26.836 -9.305 1.00 0.10 H new ATOM 0 HA GLU A 140 21.379 24.344 -10.795 1.00 0.07 H new ATOM 0 HB2 GLU A 140 23.649 26.268 -10.108 1.00 0.05 H new ATOM 0 HB3 GLU A 140 23.783 24.945 -11.249 1.00 0.05 H new ATOM 0 HG2 GLU A 140 21.666 27.139 -11.485 1.00 0.82 H new ATOM 0 HG3 GLU A 140 23.221 27.224 -12.288 1.00 0.82 H new ATOM 2129 N PHE A 141 23.026 24.476 -7.942 1.00 0.06 N ATOM 2130 CA PHE A 141 23.643 23.604 -6.904 1.00 0.07 C ATOM 2131 C PHE A 141 22.558 22.727 -6.254 1.00 0.07 C ATOM 2132 O PHE A 141 22.852 21.704 -5.667 1.00 0.07 O ATOM 2133 CB PHE A 141 24.347 24.488 -5.836 1.00 0.08 C ATOM 2134 CG PHE A 141 25.849 24.296 -5.913 1.00 0.09 C ATOM 2135 CD1 PHE A 141 26.420 23.129 -5.401 1.00 0.18 C ATOM 2136 CD2 PHE A 141 26.660 25.273 -6.506 1.00 0.12 C ATOM 2137 CE1 PHE A 141 27.802 22.939 -5.474 1.00 0.20 C ATOM 2138 CE2 PHE A 141 28.052 25.072 -6.577 1.00 0.18 C ATOM 2139 CZ PHE A 141 28.613 23.910 -6.061 1.00 0.18 C ATOM 0 H PHE A 141 22.989 25.469 -7.710 1.00 0.06 H new ATOM 0 HA PHE A 141 24.386 22.953 -7.364 1.00 0.07 H new ATOM 0 HB2 PHE A 141 24.097 25.537 -5.998 1.00 0.08 H new ATOM 0 HB3 PHE A 141 23.989 24.225 -4.841 1.00 0.08 H new ATOM 0 HD1 PHE A 141 25.794 22.374 -4.949 1.00 0.18 H new ATOM 0 HD2 PHE A 141 26.220 26.175 -6.906 1.00 0.12 H new ATOM 0 HE1 PHE A 141 28.244 22.038 -5.075 1.00 0.20 H new ATOM 0 HE2 PHE A 141 28.683 25.821 -7.032 1.00 0.18 H new ATOM 0 HZ PHE A 141 29.681 23.758 -6.115 1.00 0.18 H new ATOM 2149 N VAL A 142 21.313 23.106 -6.358 1.00 0.14 N ATOM 2150 CA VAL A 142 20.235 22.277 -5.745 1.00 0.16 C ATOM 2151 C VAL A 142 20.099 20.969 -6.533 1.00 0.16 C ATOM 2152 O VAL A 142 20.041 19.893 -5.971 1.00 0.16 O ATOM 2153 CB VAL A 142 18.903 23.038 -5.792 1.00 0.21 C ATOM 2154 CG1 VAL A 142 17.779 22.114 -5.309 1.00 0.26 C ATOM 2155 CG2 VAL A 142 18.976 24.303 -4.900 1.00 0.22 C ATOM 0 H VAL A 142 20.997 23.949 -6.838 1.00 0.14 H new ATOM 0 HA VAL A 142 20.489 22.062 -4.707 1.00 0.16 H new ATOM 0 HB VAL A 142 18.701 23.352 -6.816 1.00 0.21 H new ATOM 0 HG11 VAL A 142 16.830 22.649 -5.340 1.00 0.26 H new ATOM 0 HG12 VAL A 142 17.724 21.239 -5.957 1.00 0.26 H new ATOM 0 HG13 VAL A 142 17.983 21.796 -4.287 1.00 0.26 H new ATOM 0 HG21 VAL A 142 18.025 24.834 -4.942 1.00 0.22 H new ATOM 0 HG22 VAL A 142 19.183 24.011 -3.870 1.00 0.22 H new ATOM 0 HG23 VAL A 142 19.772 24.956 -5.259 1.00 0.22 H new ATOM 2165 N GLN A 143 20.043 21.059 -7.836 1.00 0.19 N ATOM 2166 CA GLN A 143 19.903 19.832 -8.670 1.00 0.23 C ATOM 2167 C GLN A 143 21.169 18.973 -8.552 1.00 0.21 C ATOM 2168 O GLN A 143 21.143 17.781 -8.785 1.00 0.25 O ATOM 2169 CB GLN A 143 19.696 20.239 -10.134 1.00 0.28 C ATOM 2170 CG GLN A 143 18.257 20.717 -10.345 1.00 0.52 C ATOM 2171 CD GLN A 143 17.320 19.512 -10.435 1.00 2.04 C ATOM 2172 OE1 GLN A 143 17.733 18.390 -10.215 1.00 3.06 O ATOM 2173 NE2 GLN A 143 16.068 19.697 -10.754 1.00 2.56 N ATOM 0 H GLN A 143 20.088 21.934 -8.359 1.00 0.19 H new ATOM 0 HA GLN A 143 19.047 19.254 -8.323 1.00 0.23 H new ATOM 0 HB2 GLN A 143 20.394 21.032 -10.402 1.00 0.28 H new ATOM 0 HB3 GLN A 143 19.907 19.393 -10.789 1.00 0.28 H new ATOM 0 HG2 GLN A 143 17.954 21.364 -9.522 1.00 0.52 H new ATOM 0 HG3 GLN A 143 18.191 21.310 -11.257 1.00 0.52 H new ATOM 0 HE21 GLN A 143 15.722 20.639 -10.938 1.00 2.56 H new ATOM 0 HE22 GLN A 143 15.435 18.900 -10.819 1.00 2.56 H new ATOM 2182 N MET A 144 22.278 19.571 -8.210 1.00 0.16 N ATOM 2183 CA MET A 144 23.543 18.784 -8.098 1.00 0.19 C ATOM 2184 C MET A 144 23.507 17.894 -6.847 1.00 0.18 C ATOM 2185 O MET A 144 24.010 16.788 -6.854 1.00 0.25 O ATOM 2186 CB MET A 144 24.738 19.751 -8.016 1.00 0.20 C ATOM 2187 CG MET A 144 25.154 20.192 -9.424 1.00 0.24 C ATOM 2188 SD MET A 144 26.161 21.693 -9.318 1.00 0.34 S ATOM 2189 CE MET A 144 25.932 22.242 -11.027 1.00 0.61 C ATOM 0 H MET A 144 22.365 20.566 -8.004 1.00 0.16 H new ATOM 0 HA MET A 144 23.647 18.147 -8.976 1.00 0.19 H new ATOM 0 HB2 MET A 144 24.471 20.622 -7.417 1.00 0.20 H new ATOM 0 HB3 MET A 144 25.576 19.265 -7.516 1.00 0.20 H new ATOM 0 HG2 MET A 144 25.718 19.398 -9.913 1.00 0.24 H new ATOM 0 HG3 MET A 144 24.270 20.377 -10.034 1.00 0.24 H new ATOM 0 HE1 MET A 144 26.478 23.171 -11.187 1.00 0.61 H new ATOM 0 HE2 MET A 144 26.308 21.478 -11.708 1.00 0.61 H new ATOM 0 HE3 MET A 144 24.872 22.407 -11.217 1.00 0.61 H new ATOM 2199 N MET A 145 22.937 18.365 -5.773 1.00 0.15 N ATOM 2200 CA MET A 145 22.894 17.538 -4.530 1.00 0.16 C ATOM 2201 C MET A 145 21.887 16.393 -4.683 1.00 0.16 C ATOM 2202 O MET A 145 21.970 15.393 -4.001 1.00 0.16 O ATOM 2203 CB MET A 145 22.490 18.414 -3.332 1.00 0.17 C ATOM 2204 CG MET A 145 23.566 19.493 -3.057 1.00 0.12 C ATOM 2205 SD MET A 145 23.932 19.569 -1.279 1.00 0.14 S ATOM 2206 CE MET A 145 22.390 20.353 -0.744 1.00 0.17 C ATOM 0 H MET A 145 22.500 19.284 -5.700 1.00 0.15 H new ATOM 0 HA MET A 145 23.886 17.119 -4.359 1.00 0.16 H new ATOM 0 HB2 MET A 145 21.531 18.892 -3.531 1.00 0.17 H new ATOM 0 HB3 MET A 145 22.358 17.791 -2.447 1.00 0.17 H new ATOM 0 HG2 MET A 145 24.474 19.262 -3.614 1.00 0.12 H new ATOM 0 HG3 MET A 145 23.216 20.464 -3.406 1.00 0.12 H new ATOM 0 HE1 MET A 145 22.585 20.986 0.121 1.00 0.17 H new ATOM 0 HE2 MET A 145 21.990 20.961 -1.556 1.00 0.17 H new ATOM 0 HE3 MET A 145 21.665 19.584 -0.475 1.00 0.17 H new ATOM 2216 N THR A 146 20.928 16.531 -5.558 1.00 0.17 N ATOM 2217 CA THR A 146 19.919 15.464 -5.739 1.00 0.19 C ATOM 2218 C THR A 146 20.534 14.281 -6.489 1.00 0.37 C ATOM 2219 O THR A 146 20.469 13.147 -6.058 1.00 0.64 O ATOM 2220 CB THR A 146 18.755 16.081 -6.540 1.00 0.23 C ATOM 2221 OG1 THR A 146 19.120 17.395 -6.929 1.00 0.15 O ATOM 2222 CG2 THR A 146 17.491 16.156 -5.683 1.00 0.46 C ATOM 0 H THR A 146 20.805 17.347 -6.158 1.00 0.17 H new ATOM 0 HA THR A 146 19.563 15.088 -4.780 1.00 0.19 H new ATOM 0 HB THR A 146 18.554 15.458 -7.412 1.00 0.23 H new ATOM 0 HG1 THR A 146 18.482 18.037 -6.553 1.00 0.15 H new ATOM 0 HG21 THR A 146 16.681 16.594 -6.266 1.00 0.46 H new ATOM 0 HG22 THR A 146 17.207 15.153 -5.365 1.00 0.46 H new ATOM 0 HG23 THR A 146 17.682 16.774 -4.806 1.00 0.46 H new ATOM 2230 N ALA A 147 21.111 14.550 -7.611 1.00 0.24 N ATOM 2231 CA ALA A 147 21.730 13.467 -8.433 1.00 0.39 C ATOM 2232 C ALA A 147 23.012 12.975 -7.786 1.00 2.10 C ATOM 2233 O ALA A 147 23.837 12.324 -8.394 1.00 3.28 O ATOM 2234 CB ALA A 147 22.051 14.012 -9.810 1.00 1.42 C ATOM 0 H ALA A 147 21.187 15.486 -8.009 1.00 0.24 H new ATOM 0 HA ALA A 147 21.028 12.636 -8.507 1.00 0.39 H new ATOM 0 HB1 ALA A 147 22.503 13.227 -10.416 1.00 1.42 H new ATOM 0 HB2 ALA A 147 21.134 14.356 -10.288 1.00 1.42 H new ATOM 0 HB3 ALA A 147 22.747 14.846 -9.718 1.00 1.42 H new ATOM 2240 N LYS A 148 23.162 13.286 -6.557 1.00 2.89 N ATOM 2241 CA LYS A 148 24.373 12.863 -5.793 1.00 4.53 C ATOM 2242 C LYS A 148 24.007 12.662 -4.318 1.00 6.60 C ATOM 2243 O LYS A 148 24.657 11.854 -3.673 1.00 7.48 O ATOM 2244 CB LYS A 148 25.444 13.950 -5.903 1.00 4.21 C ATOM 2245 CG LYS A 148 25.969 14.010 -7.341 1.00 2.36 C ATOM 2246 CD LYS A 148 27.263 14.825 -7.378 1.00 2.74 C ATOM 2247 CE LYS A 148 27.699 15.029 -8.831 1.00 1.82 C ATOM 2248 NZ LYS A 148 26.699 15.877 -9.539 1.00 1.37 N ATOM 2249 OXT LYS A 148 23.086 13.316 -3.862 1.00 7.42 O ATOM 0 H LYS A 148 22.489 13.830 -6.018 1.00 2.89 H new ATOM 0 HA LYS A 148 24.752 11.927 -6.204 1.00 4.53 H new ATOM 0 HB2 LYS A 148 25.027 14.916 -5.617 1.00 4.21 H new ATOM 0 HB3 LYS A 148 26.263 13.739 -5.215 1.00 4.21 H new ATOM 0 HG2 LYS A 148 26.150 13.003 -7.716 1.00 2.36 H new ATOM 0 HG3 LYS A 148 25.223 14.463 -7.993 1.00 2.36 H new ATOM 0 HD2 LYS A 148 27.111 15.790 -6.894 1.00 2.74 H new ATOM 0 HD3 LYS A 148 28.046 14.309 -6.822 1.00 2.74 H new ATOM 0 HE2 LYS A 148 28.680 15.502 -8.864 1.00 1.82 H new ATOM 0 HE3 LYS A 148 27.793 14.065 -9.332 1.00 1.82 H new ATOM 0 HZ1 LYS A 148 27.153 16.347 -10.348 1.00 1.37 H new ATOM 0 HZ2 LYS A 148 25.917 15.281 -9.878 1.00 1.37 H new ATOM 0 HZ3 LYS A 148 26.328 16.596 -8.885 1.00 1.37 H new TER 2263 LYS A 148