USER MOD reduce.3.24.130724 H: found=0, std=0, add=1097, rem=0, adj=32 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 107 HIS : no HE2:sc= -2.16 X(o=-2.7,f=-2.3) USER MOD Set 1.2: A 111 ASN : amide:sc= -0.559 X(o=-2.7,f=-2.3!) USER MOD Set 2.1: A 36 MET CE :methyl 149:sc= -0.493 (180deg=-1.29) USER MOD Set 2.2: A 51 MET CE :methyl -167:sc= -0.0172 (180deg=-0.278) USER MOD Set 3.1: A 5 THR OG1 : rot -79:sc= -1.23! USER MOD Set 3.2: A 8 GLN : amide:sc= 0.491! C(o=-0.74!,f=-8.2!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.667 K(o=-0.67,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -62:sc= 0.0011 USER MOD Single : A 21 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0891) 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= 0.0653 USER MOD Single : A 30 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0895) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0163 USER MOD Single : A 38 SER OG : rot -93:sc= 1.06 USER MOD Single : A 41 GLN : amide:sc= -0.168 K(o=-0.17,f=-0.79) USER MOD Single : A 42 ASN : amide:sc= -0.879 K(o=-0.88,f=-4.1!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.479 USER MOD Single : A 49 GLN : amide:sc= -0.479 K(o=-0.48,f=-4.4!) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -2.14! C(o=-2.1!,f=-11!) USER MOD Single : A 62 THR OG1 : rot -81:sc= 0.112 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -142:sc= -0.086 (180deg=-3.82!) USER MOD Single : A 72 MET CE :methyl -176:sc= -0.903 (180deg=-0.949) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 138:sc= -3.8 (180deg=-5.62!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 3:sc= 1.09 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -142:sc= -0.0862 (180deg=-0.64) USER MOD Single : A 97 ASN : amide:sc= -0.515 K(o=-0.51,f=-2.6) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -179:sc= -1.76 (180deg=-1.79) USER MOD Single : A 110 THR OG1 : rot 180:sc= -2.12! USER MOD Single : A 115 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0772) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl -161:sc=-0.00101 (180deg=-0.21) USER MOD Single : A 135 GLN : amide:sc= -0.317 X(o=-0.32,f=0) USER MOD Single : A 137 ASN : amide:sc= -1.14 K(o=-1.1,f=0.12) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.145 K(o=-0.15,f=-1.8!) USER MOD Single : A 144 MET CE :methyl -152:sc= 0 (180deg=-0.155) USER MOD Single : A 145 MET CE :methyl -141:sc= -1.73 (180deg=-8.12!) USER MOD Single : A 146 THR OG1 : rot 89:sc= -0.276 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.981 13.728 -11.343 1.00 1.09 N ATOM 2 CA ALA A 1 12.919 14.620 -10.793 1.00 1.24 C ATOM 3 C ALA A 1 12.451 14.083 -9.439 1.00 1.20 C ATOM 4 O ALA A 1 12.837 14.575 -8.399 1.00 1.86 O ATOM 5 CB ALA A 1 11.736 14.660 -11.761 1.00 2.69 C ATOM 0 H1 ALA A 1 14.299 14.093 -12.263 1.00 1.09 H new ATOM 0 H2 ALA A 1 14.786 13.700 -10.685 1.00 1.09 H new ATOM 0 H3 ALA A 1 13.600 12.768 -11.465 1.00 1.09 H new ATOM 0 HA ALA A 1 13.320 15.626 -10.666 1.00 1.24 H new ATOM 0 HB1 ALA A 1 10.960 15.311 -11.360 1.00 2.69 H new ATOM 0 HB2 ALA A 1 12.068 15.043 -12.726 1.00 2.69 H new ATOM 0 HB3 ALA A 1 11.336 13.654 -11.888 1.00 2.69 H new ATOM 13 N ASP A 2 11.620 13.075 -9.447 1.00 0.51 N ATOM 14 CA ASP A 2 11.124 12.505 -8.161 1.00 0.43 C ATOM 15 C ASP A 2 10.705 11.062 -8.384 1.00 0.37 C ATOM 16 O ASP A 2 9.928 10.493 -7.642 1.00 0.42 O ATOM 17 CB ASP A 2 9.927 13.307 -7.678 1.00 0.53 C ATOM 18 CG ASP A 2 9.578 12.900 -6.246 1.00 1.16 C ATOM 19 OD1 ASP A 2 10.239 12.017 -5.725 1.00 1.82 O ATOM 20 OD2 ASP A 2 8.655 13.475 -5.694 1.00 1.87 O ATOM 0 H ASP A 2 11.263 12.622 -10.288 1.00 0.51 H new ATOM 0 HA ASP A 2 11.915 12.548 -7.413 1.00 0.43 H new ATOM 0 HB2 ASP A 2 10.151 14.373 -7.719 1.00 0.53 H new ATOM 0 HB3 ASP A 2 9.073 13.135 -8.334 1.00 0.53 H new ATOM 25 N GLN A 3 11.218 10.479 -9.412 1.00 0.34 N ATOM 26 CA GLN A 3 10.868 9.058 -9.726 1.00 0.33 C ATOM 27 C GLN A 3 11.268 8.166 -8.554 1.00 0.34 C ATOM 28 O GLN A 3 12.211 8.444 -7.840 1.00 0.39 O ATOM 29 CB GLN A 3 11.600 8.578 -10.989 1.00 0.28 C ATOM 30 CG GLN A 3 11.164 9.430 -12.177 1.00 0.48 C ATOM 31 CD GLN A 3 12.138 9.226 -13.338 1.00 0.36 C ATOM 32 OE1 GLN A 3 12.283 10.085 -14.184 1.00 1.13 O ATOM 33 NE2 GLN A 3 12.820 8.115 -13.412 1.00 0.96 N ATOM 0 H GLN A 3 11.871 10.917 -10.062 1.00 0.34 H new ATOM 0 HA GLN A 3 9.793 9.000 -9.898 1.00 0.33 H new ATOM 0 HB2 GLN A 3 12.678 8.653 -10.849 1.00 0.28 H new ATOM 0 HB3 GLN A 3 11.375 7.528 -11.177 1.00 0.28 H new ATOM 0 HG2 GLN A 3 10.154 9.156 -12.483 1.00 0.48 H new ATOM 0 HG3 GLN A 3 11.136 10.482 -11.893 1.00 0.48 H new ATOM 0 HE21 GLN A 3 12.698 7.394 -12.701 1.00 0.96 H new ATOM 0 HE22 GLN A 3 13.475 7.969 -14.180 1.00 0.96 H new ATOM 42 N LEU A 4 10.552 7.099 -8.353 1.00 0.31 N ATOM 43 CA LEU A 4 10.882 6.182 -7.224 1.00 0.34 C ATOM 44 C LEU A 4 12.249 5.541 -7.467 1.00 0.39 C ATOM 45 O LEU A 4 12.542 5.070 -8.549 1.00 0.41 O ATOM 46 CB LEU A 4 9.818 5.083 -7.126 1.00 0.24 C ATOM 47 CG LEU A 4 8.442 5.703 -6.819 1.00 0.24 C ATOM 48 CD1 LEU A 4 7.335 4.735 -7.245 1.00 0.17 C ATOM 49 CD2 LEU A 4 8.306 5.977 -5.316 1.00 0.32 C ATOM 0 H LEU A 4 9.752 6.819 -8.920 1.00 0.31 H new ATOM 0 HA LEU A 4 10.905 6.751 -6.294 1.00 0.34 H new ATOM 0 HB2 LEU A 4 9.773 4.525 -8.061 1.00 0.24 H new ATOM 0 HB3 LEU A 4 10.088 4.373 -6.344 1.00 0.24 H new ATOM 0 HG LEU A 4 8.353 6.640 -7.369 1.00 0.24 H new ATOM 0 HD11 LEU A 4 6.362 5.176 -7.027 1.00 0.17 H new ATOM 0 HD12 LEU A 4 7.414 4.540 -8.315 1.00 0.17 H new ATOM 0 HD13 LEU A 4 7.440 3.798 -6.697 1.00 0.17 H new ATOM 0 HD21 LEU A 4 7.329 6.415 -5.113 1.00 0.32 H new ATOM 0 HD22 LEU A 4 8.406 5.042 -4.765 1.00 0.32 H new ATOM 0 HD23 LEU A 4 9.087 6.669 -5.000 1.00 0.32 H new ATOM 61 N THR A 5 13.086 5.513 -6.466 1.00 0.48 N ATOM 62 CA THR A 5 14.431 4.896 -6.634 1.00 0.56 C ATOM 63 C THR A 5 14.290 3.371 -6.626 1.00 0.48 C ATOM 64 O THR A 5 13.337 2.832 -6.099 1.00 0.39 O ATOM 65 CB THR A 5 15.340 5.332 -5.480 1.00 0.70 C ATOM 66 OG1 THR A 5 14.673 5.105 -4.246 1.00 0.69 O ATOM 67 CG2 THR A 5 15.668 6.819 -5.620 1.00 0.81 C ATOM 0 H THR A 5 12.896 5.891 -5.538 1.00 0.48 H new ATOM 0 HA THR A 5 14.867 5.218 -7.579 1.00 0.56 H new ATOM 0 HB THR A 5 16.265 4.756 -5.506 1.00 0.70 H new ATOM 0 HG1 THR A 5 14.024 5.822 -4.088 1.00 0.69 H new ATOM 0 HG21 THR A 5 16.315 7.128 -4.799 1.00 0.81 H new ATOM 0 HG22 THR A 5 16.178 6.991 -6.568 1.00 0.81 H new ATOM 0 HG23 THR A 5 14.746 7.399 -5.594 1.00 0.81 H new ATOM 75 N GLU A 6 15.227 2.670 -7.204 1.00 0.53 N ATOM 76 CA GLU A 6 15.136 1.182 -7.225 1.00 0.48 C ATOM 77 C GLU A 6 15.089 0.655 -5.789 1.00 0.42 C ATOM 78 O GLU A 6 14.443 -0.332 -5.500 1.00 0.37 O ATOM 79 CB GLU A 6 16.359 0.604 -7.941 1.00 0.55 C ATOM 80 CG GLU A 6 16.248 0.864 -9.444 1.00 0.56 C ATOM 81 CD GLU A 6 17.540 0.423 -10.135 1.00 0.49 C ATOM 82 OE1 GLU A 6 18.424 -0.059 -9.444 1.00 1.01 O ATOM 83 OE2 GLU A 6 17.626 0.574 -11.343 1.00 1.32 O ATOM 0 H GLU A 6 16.050 3.062 -7.662 1.00 0.53 H new ATOM 0 HA GLU A 6 14.231 0.881 -7.753 1.00 0.48 H new ATOM 0 HB2 GLU A 6 17.269 1.058 -7.550 1.00 0.55 H new ATOM 0 HB3 GLU A 6 16.430 -0.467 -7.752 1.00 0.55 H new ATOM 0 HG2 GLU A 6 15.398 0.320 -9.856 1.00 0.56 H new ATOM 0 HG3 GLU A 6 16.068 1.923 -9.628 1.00 0.56 H new ATOM 90 N GLU A 7 15.772 1.306 -4.889 1.00 0.44 N ATOM 91 CA GLU A 7 15.771 0.842 -3.471 1.00 0.40 C ATOM 92 C GLU A 7 14.390 1.074 -2.856 1.00 0.35 C ATOM 93 O GLU A 7 13.844 0.213 -2.194 1.00 0.35 O ATOM 94 CB GLU A 7 16.818 1.626 -2.676 1.00 0.45 C ATOM 95 CG GLU A 7 18.197 1.425 -3.310 1.00 0.51 C ATOM 96 CD GLU A 7 18.715 0.024 -2.977 1.00 1.12 C ATOM 97 OE1 GLU A 7 18.408 -0.893 -3.721 1.00 2.37 O ATOM 98 OE2 GLU A 7 19.411 -0.108 -1.985 1.00 1.32 O ATOM 0 H GLU A 7 16.331 2.139 -5.073 1.00 0.44 H new ATOM 0 HA GLU A 7 16.009 -0.221 -3.439 1.00 0.40 H new ATOM 0 HB2 GLU A 7 16.563 2.686 -2.664 1.00 0.45 H new ATOM 0 HB3 GLU A 7 16.830 1.289 -1.639 1.00 0.45 H new ATOM 0 HG2 GLU A 7 18.134 1.553 -4.391 1.00 0.51 H new ATOM 0 HG3 GLU A 7 18.892 2.178 -2.940 1.00 0.51 H new ATOM 105 N GLN A 8 13.817 2.228 -3.069 1.00 0.33 N ATOM 106 CA GLN A 8 12.471 2.504 -2.493 1.00 0.31 C ATOM 107 C GLN A 8 11.472 1.475 -3.026 1.00 0.25 C ATOM 108 O GLN A 8 10.596 1.024 -2.316 1.00 0.23 O ATOM 109 CB GLN A 8 12.020 3.916 -2.885 1.00 0.36 C ATOM 110 CG GLN A 8 12.756 4.946 -2.028 1.00 0.46 C ATOM 111 CD GLN A 8 12.570 6.341 -2.632 1.00 0.40 C ATOM 112 OE1 GLN A 8 12.544 6.493 -3.838 1.00 0.12 O ATOM 113 NE2 GLN A 8 12.441 7.371 -1.843 1.00 0.73 N ATOM 0 H GLN A 8 14.222 2.989 -3.615 1.00 0.33 H new ATOM 0 HA GLN A 8 12.519 2.435 -1.406 1.00 0.31 H new ATOM 0 HB2 GLN A 8 12.224 4.094 -3.941 1.00 0.36 H new ATOM 0 HB3 GLN A 8 10.943 4.016 -2.747 1.00 0.36 H new ATOM 0 HG2 GLN A 8 12.373 4.926 -1.008 1.00 0.46 H new ATOM 0 HG3 GLN A 8 13.816 4.700 -1.975 1.00 0.46 H new ATOM 0 HE21 GLN A 8 12.463 7.244 -0.831 1.00 0.73 H new ATOM 0 HE22 GLN A 8 12.318 8.304 -2.238 1.00 0.73 H new ATOM 122 N ILE A 9 11.593 1.100 -4.269 1.00 0.24 N ATOM 123 CA ILE A 9 10.650 0.099 -4.836 1.00 0.18 C ATOM 124 C ILE A 9 10.944 -1.275 -4.230 1.00 0.11 C ATOM 125 O ILE A 9 10.048 -2.047 -3.953 1.00 0.14 O ATOM 126 CB ILE A 9 10.818 0.035 -6.357 1.00 0.20 C ATOM 127 CG1 ILE A 9 10.430 1.386 -6.962 1.00 0.29 C ATOM 128 CG2 ILE A 9 9.910 -1.060 -6.925 1.00 0.18 C ATOM 129 CD1 ILE A 9 10.797 1.411 -8.448 1.00 0.33 C ATOM 0 H ILE A 9 12.304 1.443 -4.915 1.00 0.24 H new ATOM 0 HA ILE A 9 9.627 0.391 -4.600 1.00 0.18 H new ATOM 0 HB ILE A 9 11.855 -0.193 -6.603 1.00 0.20 H new ATOM 0 HG12 ILE A 9 9.361 1.557 -6.839 1.00 0.29 H new ATOM 0 HG13 ILE A 9 10.944 2.191 -6.437 1.00 0.29 H new ATOM 0 HG21 ILE A 9 10.029 -1.106 -8.008 1.00 0.18 H new ATOM 0 HG22 ILE A 9 10.182 -2.021 -6.489 1.00 0.18 H new ATOM 0 HG23 ILE A 9 8.872 -0.833 -6.684 1.00 0.18 H new ATOM 0 HD11 ILE A 9 10.519 2.375 -8.875 1.00 0.33 H new ATOM 0 HD12 ILE A 9 11.871 1.260 -8.560 1.00 0.33 H new ATOM 0 HD13 ILE A 9 10.263 0.616 -8.968 1.00 0.33 H new ATOM 141 N ALA A 10 12.195 -1.586 -4.022 1.00 0.08 N ATOM 142 CA ALA A 10 12.546 -2.906 -3.436 1.00 0.15 C ATOM 143 C ALA A 10 12.116 -2.952 -1.971 1.00 0.18 C ATOM 144 O ALA A 10 11.837 -4.001 -1.435 1.00 0.47 O ATOM 145 CB ALA A 10 14.057 -3.119 -3.535 1.00 0.21 C ATOM 0 H ALA A 10 12.988 -0.980 -4.234 1.00 0.08 H new ATOM 0 HA ALA A 10 12.030 -3.694 -3.984 1.00 0.15 H new ATOM 0 HB1 ALA A 10 14.317 -4.087 -3.106 1.00 0.21 H new ATOM 0 HB2 ALA A 10 14.360 -3.093 -4.582 1.00 0.21 H new ATOM 0 HB3 ALA A 10 14.572 -2.329 -2.988 1.00 0.21 H new ATOM 151 N GLU A 11 12.054 -1.827 -1.311 1.00 0.12 N ATOM 152 CA GLU A 11 11.638 -1.833 0.108 1.00 0.17 C ATOM 153 C GLU A 11 10.118 -2.063 0.165 1.00 0.18 C ATOM 154 O GLU A 11 9.635 -2.856 0.946 1.00 0.23 O ATOM 155 CB GLU A 11 12.066 -0.482 0.735 1.00 0.20 C ATOM 156 CG GLU A 11 10.974 0.100 1.628 1.00 1.36 C ATOM 157 CD GLU A 11 11.547 1.253 2.454 1.00 1.10 C ATOM 158 OE1 GLU A 11 12.503 1.022 3.176 1.00 0.46 O ATOM 159 OE2 GLU A 11 11.020 2.348 2.349 1.00 2.07 O ATOM 0 H GLU A 11 12.274 -0.909 -1.698 1.00 0.12 H new ATOM 0 HA GLU A 11 12.112 -2.632 0.678 1.00 0.17 H new ATOM 0 HB2 GLU A 11 12.975 -0.624 1.319 1.00 0.20 H new ATOM 0 HB3 GLU A 11 12.304 0.227 -0.058 1.00 0.20 H new ATOM 0 HG2 GLU A 11 10.142 0.454 1.019 1.00 1.36 H new ATOM 0 HG3 GLU A 11 10.580 -0.673 2.288 1.00 1.36 H new ATOM 166 N PHE A 12 9.367 -1.394 -0.670 1.00 0.16 N ATOM 167 CA PHE A 12 7.893 -1.606 -0.664 1.00 0.18 C ATOM 168 C PHE A 12 7.596 -3.031 -1.130 1.00 0.19 C ATOM 169 O PHE A 12 6.685 -3.674 -0.647 1.00 0.19 O ATOM 170 CB PHE A 12 7.206 -0.636 -1.637 1.00 0.20 C ATOM 171 CG PHE A 12 7.535 0.825 -1.352 1.00 0.28 C ATOM 172 CD1 PHE A 12 7.865 1.281 -0.061 1.00 0.47 C ATOM 173 CD2 PHE A 12 7.476 1.742 -2.412 1.00 0.43 C ATOM 174 CE1 PHE A 12 8.131 2.639 0.155 1.00 0.60 C ATOM 175 CE2 PHE A 12 7.746 3.094 -2.191 1.00 0.51 C ATOM 176 CZ PHE A 12 8.071 3.544 -0.908 1.00 0.54 C ATOM 0 H PHE A 12 9.709 -0.715 -1.350 1.00 0.16 H new ATOM 0 HA PHE A 12 7.520 -1.436 0.346 1.00 0.18 H new ATOM 0 HB2 PHE A 12 7.507 -0.878 -2.656 1.00 0.20 H new ATOM 0 HB3 PHE A 12 6.127 -0.777 -1.581 1.00 0.20 H new ATOM 0 HD1 PHE A 12 7.913 0.584 0.762 1.00 0.47 H new ATOM 0 HD2 PHE A 12 7.220 1.400 -3.404 1.00 0.43 H new ATOM 0 HE1 PHE A 12 8.383 2.988 1.146 1.00 0.60 H new ATOM 0 HE2 PHE A 12 7.704 3.793 -3.013 1.00 0.51 H new ATOM 0 HZ PHE A 12 8.276 4.591 -0.738 1.00 0.54 H new ATOM 186 N LYS A 13 8.347 -3.529 -2.071 1.00 0.23 N ATOM 187 CA LYS A 13 8.086 -4.907 -2.564 1.00 0.26 C ATOM 188 C LYS A 13 8.207 -5.894 -1.402 1.00 0.30 C ATOM 189 O LYS A 13 7.352 -6.731 -1.197 1.00 0.32 O ATOM 190 CB LYS A 13 9.092 -5.268 -3.664 1.00 0.24 C ATOM 191 CG LYS A 13 8.958 -6.766 -4.041 1.00 0.18 C ATOM 192 CD LYS A 13 9.216 -6.966 -5.547 1.00 0.19 C ATOM 193 CE LYS A 13 7.928 -6.715 -6.340 1.00 0.27 C ATOM 194 NZ LYS A 13 8.226 -6.751 -7.799 1.00 0.75 N ATOM 0 H LYS A 13 9.126 -3.044 -2.517 1.00 0.23 H new ATOM 0 HA LYS A 13 7.079 -4.958 -2.978 1.00 0.26 H new ATOM 0 HB2 LYS A 13 8.919 -4.647 -4.543 1.00 0.24 H new ATOM 0 HB3 LYS A 13 10.106 -5.061 -3.322 1.00 0.24 H new ATOM 0 HG2 LYS A 13 9.667 -7.358 -3.462 1.00 0.18 H new ATOM 0 HG3 LYS A 13 7.961 -7.124 -3.786 1.00 0.18 H new ATOM 0 HD2 LYS A 13 9.998 -6.285 -5.883 1.00 0.19 H new ATOM 0 HD3 LYS A 13 9.574 -7.979 -5.731 1.00 0.19 H new ATOM 0 HE2 LYS A 13 7.183 -7.471 -6.092 1.00 0.27 H new ATOM 0 HE3 LYS A 13 7.504 -5.748 -6.069 1.00 0.27 H new ATOM 0 HZ1 LYS A 13 7.352 -6.581 -8.336 1.00 0.75 H new ATOM 0 HZ2 LYS A 13 8.923 -6.014 -8.029 1.00 0.75 H new ATOM 0 HZ3 LYS A 13 8.611 -7.683 -8.052 1.00 0.75 H new ATOM 208 N GLU A 14 9.257 -5.797 -0.629 1.00 0.32 N ATOM 209 CA GLU A 14 9.406 -6.734 0.525 1.00 0.36 C ATOM 210 C GLU A 14 8.275 -6.474 1.507 1.00 0.31 C ATOM 211 O GLU A 14 7.598 -7.374 1.959 1.00 0.33 O ATOM 212 CB GLU A 14 10.740 -6.486 1.234 1.00 0.41 C ATOM 213 CG GLU A 14 11.894 -6.619 0.239 1.00 0.58 C ATOM 214 CD GLU A 14 12.238 -8.097 0.029 1.00 1.71 C ATOM 215 OE1 GLU A 14 12.512 -8.767 1.011 1.00 1.89 O ATOM 216 OE2 GLU A 14 12.224 -8.532 -1.111 1.00 2.75 O ATOM 0 H GLU A 14 10.010 -5.118 -0.744 1.00 0.32 H new ATOM 0 HA GLU A 14 9.376 -7.762 0.165 1.00 0.36 H new ATOM 0 HB2 GLU A 14 10.745 -5.491 1.679 1.00 0.41 H new ATOM 0 HB3 GLU A 14 10.867 -7.200 2.048 1.00 0.41 H new ATOM 0 HG2 GLU A 14 11.619 -6.163 -0.712 1.00 0.58 H new ATOM 0 HG3 GLU A 14 12.768 -6.083 0.609 1.00 0.58 H new ATOM 223 N ALA A 15 8.076 -5.234 1.840 1.00 0.26 N ATOM 224 CA ALA A 15 6.992 -4.883 2.799 1.00 0.21 C ATOM 225 C ALA A 15 5.648 -5.371 2.257 1.00 0.14 C ATOM 226 O ALA A 15 4.727 -5.637 3.001 1.00 0.09 O ATOM 227 CB ALA A 15 6.949 -3.365 2.993 1.00 0.26 C ATOM 0 H ALA A 15 8.618 -4.444 1.490 1.00 0.26 H new ATOM 0 HA ALA A 15 7.189 -5.363 3.757 1.00 0.21 H new ATOM 0 HB1 ALA A 15 6.155 -3.110 3.695 1.00 0.26 H new ATOM 0 HB2 ALA A 15 7.906 -3.021 3.387 1.00 0.26 H new ATOM 0 HB3 ALA A 15 6.756 -2.881 2.036 1.00 0.26 H new ATOM 233 N PHE A 16 5.530 -5.482 0.966 1.00 0.19 N ATOM 234 CA PHE A 16 4.245 -5.945 0.367 1.00 0.17 C ATOM 235 C PHE A 16 4.121 -7.467 0.495 1.00 0.16 C ATOM 236 O PHE A 16 3.078 -7.985 0.845 1.00 0.15 O ATOM 237 CB PHE A 16 4.218 -5.552 -1.111 1.00 0.23 C ATOM 238 CG PHE A 16 2.826 -5.722 -1.669 1.00 0.22 C ATOM 239 CD1 PHE A 16 1.894 -4.681 -1.557 1.00 0.21 C ATOM 240 CD2 PHE A 16 2.472 -6.915 -2.308 1.00 0.23 C ATOM 241 CE1 PHE A 16 0.609 -4.837 -2.087 1.00 0.21 C ATOM 242 CE2 PHE A 16 1.188 -7.068 -2.841 1.00 0.23 C ATOM 243 CZ PHE A 16 0.258 -6.028 -2.729 1.00 0.23 C ATOM 0 H PHE A 16 6.269 -5.272 0.295 1.00 0.19 H new ATOM 0 HA PHE A 16 3.411 -5.480 0.893 1.00 0.17 H new ATOM 0 HB2 PHE A 16 4.540 -4.517 -1.226 1.00 0.23 H new ATOM 0 HB3 PHE A 16 4.921 -6.168 -1.672 1.00 0.23 H new ATOM 0 HD1 PHE A 16 2.167 -3.761 -1.063 1.00 0.21 H new ATOM 0 HD2 PHE A 16 3.190 -7.718 -2.390 1.00 0.23 H new ATOM 0 HE1 PHE A 16 -0.112 -4.037 -2.000 1.00 0.21 H new ATOM 0 HE2 PHE A 16 0.915 -7.987 -3.338 1.00 0.23 H new ATOM 0 HZ PHE A 16 -0.734 -6.146 -3.140 1.00 0.23 H new ATOM 253 N SER A 17 5.169 -8.186 0.208 1.00 0.21 N ATOM 254 CA SER A 17 5.105 -9.673 0.304 1.00 0.22 C ATOM 255 C SER A 17 4.878 -10.097 1.759 1.00 0.20 C ATOM 256 O SER A 17 4.274 -11.118 2.029 1.00 0.27 O ATOM 257 CB SER A 17 6.424 -10.269 -0.202 1.00 0.27 C ATOM 258 OG SER A 17 7.302 -10.483 0.897 1.00 1.47 O ATOM 0 H SER A 17 6.069 -7.809 -0.089 1.00 0.21 H new ATOM 0 HA SER A 17 4.277 -10.037 -0.305 1.00 0.22 H new ATOM 0 HB2 SER A 17 6.235 -11.210 -0.719 1.00 0.27 H new ATOM 0 HB3 SER A 17 6.886 -9.596 -0.924 1.00 0.27 H new ATOM 0 HG SER A 17 7.508 -9.625 1.323 1.00 1.47 H new ATOM 264 N LEU A 18 5.367 -9.334 2.697 1.00 0.15 N ATOM 265 CA LEU A 18 5.188 -9.711 4.130 1.00 0.13 C ATOM 266 C LEU A 18 3.716 -10.036 4.412 1.00 0.13 C ATOM 267 O LEU A 18 3.406 -10.715 5.369 1.00 0.15 O ATOM 268 CB LEU A 18 5.633 -8.540 5.032 1.00 0.12 C ATOM 269 CG LEU A 18 7.152 -8.590 5.299 1.00 0.13 C ATOM 270 CD1 LEU A 18 7.568 -7.344 6.104 1.00 0.16 C ATOM 271 CD2 LEU A 18 7.522 -9.866 6.094 1.00 0.08 C ATOM 0 H LEU A 18 5.881 -8.468 2.536 1.00 0.15 H new ATOM 0 HA LEU A 18 5.795 -10.591 4.341 1.00 0.13 H new ATOM 0 HB2 LEU A 18 5.375 -7.593 4.558 1.00 0.12 H new ATOM 0 HB3 LEU A 18 5.093 -8.580 5.978 1.00 0.12 H new ATOM 0 HG LEU A 18 7.678 -8.609 4.344 1.00 0.13 H new ATOM 0 HD11 LEU A 18 8.641 -7.376 6.295 1.00 0.16 H new ATOM 0 HD12 LEU A 18 7.327 -6.446 5.535 1.00 0.16 H new ATOM 0 HD13 LEU A 18 7.031 -7.328 7.052 1.00 0.16 H new ATOM 0 HD21 LEU A 18 8.597 -9.884 6.273 1.00 0.08 H new ATOM 0 HD22 LEU A 18 6.995 -9.866 7.048 1.00 0.08 H new ATOM 0 HD23 LEU A 18 7.235 -10.748 5.521 1.00 0.08 H new ATOM 283 N PHE A 19 2.811 -9.538 3.606 1.00 0.12 N ATOM 284 CA PHE A 19 1.351 -9.798 3.844 1.00 0.12 C ATOM 285 C PHE A 19 0.710 -10.440 2.611 1.00 0.13 C ATOM 286 O PHE A 19 -0.490 -10.390 2.430 1.00 0.13 O ATOM 287 CB PHE A 19 0.668 -8.472 4.151 1.00 0.10 C ATOM 288 CG PHE A 19 1.330 -7.867 5.362 1.00 0.10 C ATOM 289 CD1 PHE A 19 2.533 -7.165 5.220 1.00 0.08 C ATOM 290 CD2 PHE A 19 0.749 -8.016 6.625 1.00 0.13 C ATOM 291 CE1 PHE A 19 3.155 -6.612 6.344 1.00 0.08 C ATOM 292 CE2 PHE A 19 1.371 -7.462 7.750 1.00 0.14 C ATOM 293 CZ PHE A 19 2.574 -6.759 7.610 1.00 0.11 C ATOM 0 H PHE A 19 3.018 -8.961 2.791 1.00 0.12 H new ATOM 0 HA PHE A 19 1.236 -10.485 4.682 1.00 0.12 H new ATOM 0 HB2 PHE A 19 0.748 -7.798 3.298 1.00 0.10 H new ATOM 0 HB3 PHE A 19 -0.395 -8.627 4.337 1.00 0.10 H new ATOM 0 HD1 PHE A 19 2.980 -7.051 4.244 1.00 0.08 H new ATOM 0 HD2 PHE A 19 -0.179 -8.558 6.733 1.00 0.13 H new ATOM 0 HE1 PHE A 19 4.084 -6.071 6.236 1.00 0.08 H new ATOM 0 HE2 PHE A 19 0.923 -7.577 8.726 1.00 0.14 H new ATOM 0 HZ PHE A 19 3.054 -6.330 8.478 1.00 0.11 H new ATOM 303 N ASP A 20 1.497 -11.065 1.772 1.00 0.15 N ATOM 304 CA ASP A 20 0.936 -11.738 0.559 1.00 0.17 C ATOM 305 C ASP A 20 0.821 -13.238 0.857 1.00 0.21 C ATOM 306 O ASP A 20 1.568 -14.046 0.342 1.00 0.24 O ATOM 307 CB ASP A 20 1.879 -11.523 -0.627 1.00 0.18 C ATOM 308 CG ASP A 20 1.325 -12.247 -1.855 1.00 0.20 C ATOM 309 OD1 ASP A 20 0.130 -12.156 -2.084 1.00 1.19 O ATOM 310 OD2 ASP A 20 2.104 -12.879 -2.548 1.00 1.00 O ATOM 0 H ASP A 20 2.509 -11.139 1.875 1.00 0.15 H new ATOM 0 HA ASP A 20 -0.042 -11.324 0.313 1.00 0.17 H new ATOM 0 HB2 ASP A 20 1.982 -10.458 -0.835 1.00 0.18 H new ATOM 0 HB3 ASP A 20 2.874 -11.899 -0.388 1.00 0.18 H new ATOM 315 N LYS A 21 -0.093 -13.607 1.715 1.00 0.22 N ATOM 316 CA LYS A 21 -0.250 -15.044 2.092 1.00 0.27 C ATOM 317 C LYS A 21 -0.949 -15.832 0.986 1.00 0.28 C ATOM 318 O LYS A 21 -1.166 -17.021 1.099 1.00 0.32 O ATOM 319 CB LYS A 21 -1.085 -15.139 3.366 1.00 0.30 C ATOM 320 CG LYS A 21 -0.439 -14.310 4.486 1.00 0.33 C ATOM 321 CD LYS A 21 0.757 -15.061 5.088 1.00 0.35 C ATOM 322 CE LYS A 21 1.211 -14.356 6.370 1.00 0.40 C ATOM 323 NZ LYS A 21 0.287 -14.709 7.483 1.00 1.60 N ATOM 0 H LYS A 21 -0.743 -12.970 2.175 1.00 0.22 H new ATOM 0 HA LYS A 21 0.742 -15.467 2.248 1.00 0.27 H new ATOM 0 HB2 LYS A 21 -2.096 -14.780 3.175 1.00 0.30 H new ATOM 0 HB3 LYS A 21 -1.170 -16.180 3.677 1.00 0.30 H new ATOM 0 HG2 LYS A 21 -0.111 -13.348 4.092 1.00 0.33 H new ATOM 0 HG3 LYS A 21 -1.174 -14.102 5.263 1.00 0.33 H new ATOM 0 HD2 LYS A 21 0.480 -16.092 5.306 1.00 0.35 H new ATOM 0 HD3 LYS A 21 1.576 -15.096 4.370 1.00 0.35 H new ATOM 0 HE2 LYS A 21 2.229 -14.653 6.620 1.00 0.40 H new ATOM 0 HE3 LYS A 21 1.222 -13.276 6.220 1.00 0.40 H new ATOM 0 HZ1 LYS A 21 0.715 -14.434 8.390 1.00 1.60 H new ATOM 0 HZ2 LYS A 21 -0.614 -14.206 7.359 1.00 1.60 H new ATOM 0 HZ3 LYS A 21 0.114 -15.735 7.479 1.00 1.60 H new ATOM 337 N ASP A 22 -1.307 -15.177 -0.074 1.00 0.26 N ATOM 338 CA ASP A 22 -2.008 -15.873 -1.201 1.00 0.27 C ATOM 339 C ASP A 22 -1.009 -16.194 -2.315 1.00 0.29 C ATOM 340 O ASP A 22 -1.373 -16.703 -3.358 1.00 0.30 O ATOM 341 CB ASP A 22 -3.104 -14.957 -1.752 1.00 0.23 C ATOM 342 CG ASP A 22 -3.973 -14.449 -0.600 1.00 0.23 C ATOM 343 OD1 ASP A 22 -4.661 -15.261 -0.002 1.00 0.74 O ATOM 344 OD2 ASP A 22 -3.936 -13.259 -0.335 1.00 1.09 O ATOM 0 H ASP A 22 -1.147 -14.180 -0.218 1.00 0.26 H new ATOM 0 HA ASP A 22 -2.448 -16.801 -0.836 1.00 0.27 H new ATOM 0 HB2 ASP A 22 -2.657 -14.116 -2.282 1.00 0.23 H new ATOM 0 HB3 ASP A 22 -3.717 -15.499 -2.472 1.00 0.23 H new ATOM 349 N GLY A 23 0.248 -15.908 -2.109 1.00 0.30 N ATOM 350 CA GLY A 23 1.263 -16.204 -3.160 1.00 0.34 C ATOM 351 C GLY A 23 0.764 -15.674 -4.503 1.00 0.33 C ATOM 352 O GLY A 23 1.253 -16.046 -5.552 1.00 0.34 O ATOM 0 H GLY A 23 0.616 -15.482 -1.258 1.00 0.30 H new ATOM 0 HA2 GLY A 23 2.215 -15.740 -2.904 1.00 0.34 H new ATOM 0 HA3 GLY A 23 1.438 -17.278 -3.222 1.00 0.34 H new ATOM 356 N ASP A 24 -0.212 -14.806 -4.473 1.00 0.32 N ATOM 357 CA ASP A 24 -0.766 -14.240 -5.743 1.00 0.32 C ATOM 358 C ASP A 24 -0.173 -12.850 -5.987 1.00 0.32 C ATOM 359 O ASP A 24 -0.438 -12.221 -6.991 1.00 0.33 O ATOM 360 CB ASP A 24 -2.288 -14.129 -5.625 1.00 0.32 C ATOM 361 CG ASP A 24 -2.893 -13.895 -7.011 1.00 0.40 C ATOM 362 OD1 ASP A 24 -2.994 -14.852 -7.762 1.00 1.51 O ATOM 363 OD2 ASP A 24 -3.242 -12.762 -7.299 1.00 0.73 O ATOM 0 H ASP A 24 -0.653 -14.462 -3.620 1.00 0.32 H new ATOM 0 HA ASP A 24 -0.509 -14.895 -6.576 1.00 0.32 H new ATOM 0 HB2 ASP A 24 -2.697 -15.040 -5.187 1.00 0.32 H new ATOM 0 HB3 ASP A 24 -2.553 -13.308 -4.958 1.00 0.32 H new ATOM 368 N GLY A 25 0.637 -12.365 -5.082 1.00 0.33 N ATOM 369 CA GLY A 25 1.247 -11.018 -5.277 1.00 0.32 C ATOM 370 C GLY A 25 0.223 -9.927 -4.929 1.00 0.30 C ATOM 371 O GLY A 25 0.265 -8.842 -5.474 1.00 0.30 O ATOM 0 H GLY A 25 0.901 -12.842 -4.220 1.00 0.33 H new ATOM 0 HA2 GLY A 25 2.131 -10.914 -4.647 1.00 0.32 H new ATOM 0 HA3 GLY A 25 1.577 -10.904 -6.310 1.00 0.32 H new ATOM 375 N THR A 26 -0.702 -10.197 -4.029 1.00 0.29 N ATOM 376 CA THR A 26 -1.719 -9.165 -3.656 1.00 0.26 C ATOM 377 C THR A 26 -1.969 -9.200 -2.147 1.00 0.24 C ATOM 378 O THR A 26 -1.562 -10.115 -1.459 1.00 0.23 O ATOM 379 CB THR A 26 -3.038 -9.443 -4.381 1.00 0.27 C ATOM 380 OG1 THR A 26 -3.569 -10.682 -3.933 1.00 0.27 O ATOM 381 CG2 THR A 26 -2.799 -9.505 -5.891 1.00 0.29 C ATOM 0 H THR A 26 -0.792 -11.088 -3.540 1.00 0.29 H new ATOM 0 HA THR A 26 -1.340 -8.185 -3.945 1.00 0.26 H new ATOM 0 HB THR A 26 -3.744 -8.641 -4.164 1.00 0.27 H new ATOM 0 HG1 THR A 26 -4.415 -10.862 -4.395 1.00 0.27 H new ATOM 0 HG21 THR A 26 -3.742 -9.703 -6.401 1.00 0.29 H new ATOM 0 HG22 THR A 26 -2.394 -8.553 -6.235 1.00 0.29 H new ATOM 0 HG23 THR A 26 -2.091 -10.303 -6.115 1.00 0.29 H new ATOM 389 N ILE A 27 -2.647 -8.205 -1.633 1.00 0.23 N ATOM 390 CA ILE A 27 -2.947 -8.158 -0.168 1.00 0.21 C ATOM 391 C ILE A 27 -4.373 -7.639 0.025 1.00 0.21 C ATOM 392 O ILE A 27 -4.981 -7.128 -0.895 1.00 0.25 O ATOM 393 CB ILE A 27 -1.956 -7.220 0.531 1.00 0.18 C ATOM 394 CG1 ILE A 27 -2.059 -5.811 -0.077 1.00 0.19 C ATOM 395 CG2 ILE A 27 -0.534 -7.758 0.344 1.00 0.18 C ATOM 396 CD1 ILE A 27 -1.098 -4.864 0.644 1.00 0.17 C ATOM 0 H ILE A 27 -3.009 -7.416 -2.169 1.00 0.23 H new ATOM 0 HA ILE A 27 -2.855 -9.155 0.263 1.00 0.21 H new ATOM 0 HB ILE A 27 -2.191 -7.169 1.594 1.00 0.18 H new ATOM 0 HG12 ILE A 27 -1.821 -5.845 -1.140 1.00 0.19 H new ATOM 0 HG13 ILE A 27 -3.081 -5.442 0.009 1.00 0.19 H new ATOM 0 HG21 ILE A 27 0.174 -7.094 0.839 1.00 0.18 H new ATOM 0 HG22 ILE A 27 -0.462 -8.755 0.779 1.00 0.18 H new ATOM 0 HG23 ILE A 27 -0.301 -7.808 -0.720 1.00 0.18 H new ATOM 0 HD11 ILE A 27 -1.175 -3.867 0.209 1.00 0.17 H new ATOM 0 HD12 ILE A 27 -1.356 -4.820 1.702 1.00 0.17 H new ATOM 0 HD13 ILE A 27 -0.077 -5.229 0.535 1.00 0.17 H new ATOM 408 N THR A 28 -4.918 -7.751 1.207 1.00 0.17 N ATOM 409 CA THR A 28 -6.304 -7.249 1.434 1.00 0.17 C ATOM 410 C THR A 28 -6.264 -5.795 1.895 1.00 0.12 C ATOM 411 O THR A 28 -5.230 -5.267 2.247 1.00 0.11 O ATOM 412 CB THR A 28 -6.986 -8.074 2.518 1.00 0.20 C ATOM 413 OG1 THR A 28 -6.644 -7.552 3.795 1.00 0.17 O ATOM 414 CG2 THR A 28 -6.535 -9.526 2.424 1.00 0.25 C ATOM 0 H THR A 28 -4.466 -8.166 2.021 1.00 0.17 H new ATOM 0 HA THR A 28 -6.856 -7.330 0.498 1.00 0.17 H new ATOM 0 HB THR A 28 -8.066 -8.025 2.381 1.00 0.20 H new ATOM 0 HG1 THR A 28 -6.949 -8.169 4.493 1.00 0.17 H new ATOM 0 HG21 THR A 28 -7.026 -10.111 3.202 1.00 0.25 H new ATOM 0 HG22 THR A 28 -6.801 -9.927 1.446 1.00 0.25 H new ATOM 0 HG23 THR A 28 -5.455 -9.581 2.557 1.00 0.25 H new ATOM 422 N THR A 29 -7.397 -5.151 1.908 1.00 0.15 N ATOM 423 CA THR A 29 -7.446 -3.740 2.361 1.00 0.11 C ATOM 424 C THR A 29 -7.254 -3.691 3.883 1.00 0.13 C ATOM 425 O THR A 29 -6.755 -2.724 4.425 1.00 0.16 O ATOM 426 CB THR A 29 -8.814 -3.147 1.997 1.00 0.11 C ATOM 427 OG1 THR A 29 -9.820 -4.129 2.202 1.00 0.12 O ATOM 428 CG2 THR A 29 -8.824 -2.708 0.530 1.00 0.08 C ATOM 0 H THR A 29 -8.293 -5.546 1.623 1.00 0.15 H new ATOM 0 HA THR A 29 -6.656 -3.165 1.877 1.00 0.11 H new ATOM 0 HB THR A 29 -9.008 -2.280 2.629 1.00 0.11 H new ATOM 0 HG1 THR A 29 -10.695 -3.753 1.972 1.00 0.12 H new ATOM 0 HG21 THR A 29 -9.799 -2.289 0.282 1.00 0.08 H new ATOM 0 HG22 THR A 29 -8.054 -1.954 0.371 1.00 0.08 H new ATOM 0 HG23 THR A 29 -8.626 -3.569 -0.109 1.00 0.08 H new ATOM 436 N LYS A 30 -7.655 -4.723 4.575 1.00 0.16 N ATOM 437 CA LYS A 30 -7.507 -4.732 6.059 1.00 0.21 C ATOM 438 C LYS A 30 -6.027 -4.727 6.444 1.00 0.19 C ATOM 439 O LYS A 30 -5.664 -4.307 7.525 1.00 0.19 O ATOM 440 CB LYS A 30 -8.178 -5.981 6.628 1.00 0.31 C ATOM 441 CG LYS A 30 -9.698 -5.843 6.520 1.00 0.48 C ATOM 442 CD LYS A 30 -10.369 -7.083 7.118 1.00 0.40 C ATOM 443 CE LYS A 30 -11.858 -7.080 6.764 1.00 0.68 C ATOM 444 NZ LYS A 30 -12.536 -5.959 7.473 1.00 1.79 N ATOM 0 H LYS A 30 -8.079 -5.561 4.177 1.00 0.16 H new ATOM 0 HA LYS A 30 -7.981 -3.840 6.468 1.00 0.21 H new ATOM 0 HB2 LYS A 30 -7.844 -6.865 6.085 1.00 0.31 H new ATOM 0 HB3 LYS A 30 -7.889 -6.119 7.670 1.00 0.31 H new ATOM 0 HG2 LYS A 30 -10.030 -4.948 7.046 1.00 0.48 H new ATOM 0 HG3 LYS A 30 -9.990 -5.727 5.476 1.00 0.48 H new ATOM 0 HD2 LYS A 30 -9.895 -7.986 6.734 1.00 0.40 H new ATOM 0 HD3 LYS A 30 -10.242 -7.092 8.201 1.00 0.40 H new ATOM 0 HE2 LYS A 30 -11.986 -6.973 5.687 1.00 0.68 H new ATOM 0 HE3 LYS A 30 -12.312 -8.030 7.046 1.00 0.68 H new ATOM 0 HZ1 LYS A 30 -13.566 -6.047 7.356 1.00 1.79 H new ATOM 0 HZ2 LYS A 30 -12.298 -5.994 8.485 1.00 1.79 H new ATOM 0 HZ3 LYS A 30 -12.218 -5.053 7.074 1.00 1.79 H new ATOM 458 N GLU A 31 -5.167 -5.198 5.579 1.00 0.16 N ATOM 459 CA GLU A 31 -3.704 -5.227 5.911 1.00 0.15 C ATOM 460 C GLU A 31 -2.988 -4.042 5.255 1.00 0.09 C ATOM 461 O GLU A 31 -1.778 -3.957 5.278 1.00 0.11 O ATOM 462 CB GLU A 31 -3.084 -6.526 5.393 1.00 0.18 C ATOM 463 CG GLU A 31 -3.850 -7.726 5.952 1.00 0.23 C ATOM 464 CD GLU A 31 -3.405 -9.000 5.232 1.00 0.27 C ATOM 465 OE1 GLU A 31 -3.512 -9.038 4.018 1.00 0.33 O ATOM 466 OE2 GLU A 31 -2.961 -9.914 5.907 1.00 0.28 O ATOM 0 H GLU A 31 -5.410 -5.564 4.658 1.00 0.16 H new ATOM 0 HA GLU A 31 -3.592 -5.165 6.993 1.00 0.15 H new ATOM 0 HB2 GLU A 31 -3.110 -6.542 4.303 1.00 0.18 H new ATOM 0 HB3 GLU A 31 -2.036 -6.582 5.688 1.00 0.18 H new ATOM 0 HG2 GLU A 31 -3.669 -7.819 7.023 1.00 0.23 H new ATOM 0 HG3 GLU A 31 -4.922 -7.578 5.822 1.00 0.23 H new ATOM 473 N LEU A 32 -3.712 -3.127 4.671 1.00 0.05 N ATOM 474 CA LEU A 32 -3.042 -1.964 4.021 1.00 0.03 C ATOM 475 C LEU A 32 -2.365 -1.100 5.092 1.00 0.05 C ATOM 476 O LEU A 32 -1.194 -0.786 4.998 1.00 0.08 O ATOM 477 CB LEU A 32 -4.079 -1.136 3.253 1.00 0.07 C ATOM 478 CG LEU A 32 -3.455 0.176 2.752 1.00 0.10 C ATOM 479 CD1 LEU A 32 -2.151 -0.108 1.998 1.00 0.15 C ATOM 480 CD2 LEU A 32 -4.445 0.873 1.814 1.00 0.17 C ATOM 0 H LEU A 32 -4.730 -3.133 4.615 1.00 0.05 H new ATOM 0 HA LEU A 32 -2.286 -2.321 3.321 1.00 0.03 H new ATOM 0 HB2 LEU A 32 -4.459 -1.711 2.408 1.00 0.07 H new ATOM 0 HB3 LEU A 32 -4.930 -0.918 3.899 1.00 0.07 H new ATOM 0 HG LEU A 32 -3.234 0.817 3.606 1.00 0.10 H new ATOM 0 HD11 LEU A 32 -1.721 0.831 1.649 1.00 0.15 H new ATOM 0 HD12 LEU A 32 -1.446 -0.605 2.665 1.00 0.15 H new ATOM 0 HD13 LEU A 32 -2.358 -0.752 1.143 1.00 0.15 H new ATOM 0 HD21 LEU A 32 -4.010 1.805 1.454 1.00 0.17 H new ATOM 0 HD22 LEU A 32 -4.663 0.223 0.967 1.00 0.17 H new ATOM 0 HD23 LEU A 32 -5.368 1.088 2.353 1.00 0.17 H new ATOM 492 N GLY A 33 -3.083 -0.716 6.112 1.00 0.09 N ATOM 493 CA GLY A 33 -2.466 0.121 7.176 1.00 0.11 C ATOM 494 C GLY A 33 -1.353 -0.671 7.859 1.00 0.05 C ATOM 495 O GLY A 33 -0.419 -0.110 8.395 1.00 0.05 O ATOM 0 H GLY A 33 -4.067 -0.945 6.253 1.00 0.09 H new ATOM 0 HA2 GLY A 33 -2.064 1.038 6.746 1.00 0.11 H new ATOM 0 HA3 GLY A 33 -3.220 0.415 7.906 1.00 0.11 H new ATOM 499 N THR A 34 -1.440 -1.973 7.842 1.00 0.06 N ATOM 500 CA THR A 34 -0.383 -2.795 8.492 1.00 0.09 C ATOM 501 C THR A 34 0.906 -2.698 7.674 1.00 0.09 C ATOM 502 O THR A 34 1.988 -2.576 8.213 1.00 0.12 O ATOM 503 CB THR A 34 -0.848 -4.254 8.574 1.00 0.15 C ATOM 504 OG1 THR A 34 -2.224 -4.289 8.920 1.00 0.19 O ATOM 505 CG2 THR A 34 -0.037 -5.004 9.633 1.00 0.23 C ATOM 0 H THR A 34 -2.196 -2.501 7.407 1.00 0.06 H new ATOM 0 HA THR A 34 -0.195 -2.426 9.500 1.00 0.09 H new ATOM 0 HB THR A 34 -0.699 -4.733 7.606 1.00 0.15 H new ATOM 0 HG1 THR A 34 -2.525 -5.220 8.972 1.00 0.19 H new ATOM 0 HG21 THR A 34 -0.374 -6.039 9.684 1.00 0.23 H new ATOM 0 HG22 THR A 34 1.020 -4.979 9.367 1.00 0.23 H new ATOM 0 HG23 THR A 34 -0.178 -4.528 10.604 1.00 0.23 H new ATOM 513 N VAL A 35 0.800 -2.741 6.376 1.00 0.07 N ATOM 514 CA VAL A 35 2.019 -2.637 5.526 1.00 0.10 C ATOM 515 C VAL A 35 2.611 -1.238 5.692 1.00 0.12 C ATOM 516 O VAL A 35 3.790 -1.071 5.938 1.00 0.16 O ATOM 517 CB VAL A 35 1.641 -2.864 4.061 1.00 0.09 C ATOM 518 CG1 VAL A 35 2.874 -2.664 3.172 1.00 0.12 C ATOM 519 CG2 VAL A 35 1.111 -4.290 3.887 1.00 0.12 C ATOM 0 H VAL A 35 -0.078 -2.844 5.866 1.00 0.07 H new ATOM 0 HA VAL A 35 2.749 -3.388 5.826 1.00 0.10 H new ATOM 0 HB VAL A 35 0.870 -2.150 3.772 1.00 0.09 H new ATOM 0 HG11 VAL A 35 2.601 -2.827 2.129 1.00 0.12 H new ATOM 0 HG12 VAL A 35 3.250 -1.648 3.295 1.00 0.12 H new ATOM 0 HG13 VAL A 35 3.649 -3.375 3.459 1.00 0.12 H new ATOM 0 HG21 VAL A 35 0.841 -4.453 2.844 1.00 0.12 H new ATOM 0 HG22 VAL A 35 1.882 -5.003 4.178 1.00 0.12 H new ATOM 0 HG23 VAL A 35 0.231 -4.430 4.515 1.00 0.12 H new ATOM 529 N MET A 36 1.793 -0.230 5.570 1.00 0.09 N ATOM 530 CA MET A 36 2.294 1.159 5.730 1.00 0.13 C ATOM 531 C MET A 36 2.963 1.286 7.103 1.00 0.16 C ATOM 532 O MET A 36 3.952 1.972 7.264 1.00 0.21 O ATOM 533 CB MET A 36 1.119 2.145 5.648 1.00 0.14 C ATOM 534 CG MET A 36 0.650 2.318 4.195 1.00 0.11 C ATOM 535 SD MET A 36 -0.210 3.901 4.038 1.00 1.07 S ATOM 536 CE MET A 36 -0.345 3.914 2.235 1.00 0.60 C ATOM 0 H MET A 36 0.797 -0.311 5.366 1.00 0.09 H new ATOM 0 HA MET A 36 3.010 1.385 4.940 1.00 0.13 H new ATOM 0 HB2 MET A 36 0.293 1.784 6.261 1.00 0.14 H new ATOM 0 HB3 MET A 36 1.420 3.110 6.055 1.00 0.14 H new ATOM 0 HG2 MET A 36 1.503 2.284 3.518 1.00 0.11 H new ATOM 0 HG3 MET A 36 -0.013 1.500 3.914 1.00 0.11 H new ATOM 0 HE1 MET A 36 -1.251 4.444 1.942 1.00 0.60 H new ATOM 0 HE2 MET A 36 0.523 4.417 1.809 1.00 0.60 H new ATOM 0 HE3 MET A 36 -0.388 2.889 1.866 1.00 0.60 H new ATOM 546 N ARG A 37 2.429 0.621 8.097 1.00 0.13 N ATOM 547 CA ARG A 37 3.033 0.698 9.457 1.00 0.16 C ATOM 548 C ARG A 37 4.452 0.126 9.411 1.00 0.14 C ATOM 549 O ARG A 37 5.339 0.583 10.102 1.00 0.14 O ATOM 550 CB ARG A 37 2.174 -0.112 10.443 1.00 0.23 C ATOM 551 CG ARG A 37 1.004 0.751 10.952 1.00 0.29 C ATOM 552 CD ARG A 37 1.511 1.853 11.914 1.00 1.37 C ATOM 553 NE ARG A 37 0.599 1.945 13.101 1.00 1.70 N ATOM 554 CZ ARG A 37 -0.700 1.994 12.957 1.00 2.17 C ATOM 555 NH1 ARG A 37 -1.229 2.095 11.769 1.00 2.61 N ATOM 556 NH2 ARG A 37 -1.469 1.979 14.011 1.00 3.02 N ATOM 0 H ARG A 37 1.601 0.029 8.023 1.00 0.13 H new ATOM 0 HA ARG A 37 3.073 1.736 9.786 1.00 0.16 H new ATOM 0 HB2 ARG A 37 1.791 -1.008 9.954 1.00 0.23 H new ATOM 0 HB3 ARG A 37 2.784 -0.444 11.283 1.00 0.23 H new ATOM 0 HG2 ARG A 37 0.489 1.208 10.107 1.00 0.29 H new ATOM 0 HG3 ARG A 37 0.277 0.121 11.465 1.00 0.29 H new ATOM 0 HD2 ARG A 37 2.526 1.626 12.240 1.00 1.37 H new ATOM 0 HD3 ARG A 37 1.549 2.812 11.397 1.00 1.37 H new ATOM 0 HE ARG A 37 1.000 1.970 14.039 1.00 1.70 H new ATOM 0 HH11 ARG A 37 -0.629 2.136 10.945 1.00 2.61 H new ATOM 0 HH12 ARG A 37 -2.243 2.133 11.664 1.00 2.61 H new ATOM 0 HH21 ARG A 37 -1.057 1.929 14.943 1.00 3.02 H new ATOM 0 HH22 ARG A 37 -2.483 2.017 13.903 1.00 3.02 H new ATOM 570 N SER A 38 4.671 -0.869 8.599 1.00 0.14 N ATOM 571 CA SER A 38 6.033 -1.461 8.509 1.00 0.13 C ATOM 572 C SER A 38 7.015 -0.394 8.017 1.00 0.10 C ATOM 573 O SER A 38 8.161 -0.360 8.416 1.00 0.08 O ATOM 574 CB SER A 38 6.018 -2.632 7.526 1.00 0.14 C ATOM 575 OG SER A 38 5.956 -2.129 6.198 1.00 0.07 O ATOM 0 H SER A 38 3.968 -1.297 7.996 1.00 0.14 H new ATOM 0 HA SER A 38 6.342 -1.818 9.491 1.00 0.13 H new ATOM 0 HB2 SER A 38 6.912 -3.242 7.655 1.00 0.14 H new ATOM 0 HB3 SER A 38 5.162 -3.277 7.723 1.00 0.14 H new ATOM 0 HG SER A 38 5.020 -2.077 5.911 1.00 0.07 H new ATOM 581 N LEU A 39 6.571 0.475 7.153 1.00 0.10 N ATOM 582 CA LEU A 39 7.476 1.541 6.631 1.00 0.08 C ATOM 583 C LEU A 39 7.587 2.675 7.652 1.00 0.08 C ATOM 584 O LEU A 39 8.268 3.657 7.430 1.00 0.07 O ATOM 585 CB LEU A 39 6.913 2.086 5.315 1.00 0.06 C ATOM 586 CG LEU A 39 6.485 0.919 4.421 1.00 0.12 C ATOM 587 CD1 LEU A 39 5.964 1.460 3.088 1.00 0.07 C ATOM 588 CD2 LEU A 39 7.684 -0.004 4.165 1.00 0.24 C ATOM 0 H LEU A 39 5.620 0.495 6.784 1.00 0.10 H new ATOM 0 HA LEU A 39 8.466 1.120 6.458 1.00 0.08 H new ATOM 0 HB2 LEU A 39 6.062 2.737 5.513 1.00 0.06 H new ATOM 0 HB3 LEU A 39 7.665 2.690 4.808 1.00 0.06 H new ATOM 0 HG LEU A 39 5.696 0.355 4.919 1.00 0.12 H new ATOM 0 HD11 LEU A 39 5.660 0.629 2.452 1.00 0.07 H new ATOM 0 HD12 LEU A 39 5.109 2.111 3.269 1.00 0.07 H new ATOM 0 HD13 LEU A 39 6.752 2.026 2.592 1.00 0.07 H new ATOM 0 HD21 LEU A 39 7.375 -0.833 3.528 1.00 0.24 H new ATOM 0 HD22 LEU A 39 8.476 0.558 3.670 1.00 0.24 H new ATOM 0 HD23 LEU A 39 8.053 -0.393 5.114 1.00 0.24 H new ATOM 600 N GLY A 40 6.935 2.547 8.777 1.00 0.10 N ATOM 601 CA GLY A 40 7.016 3.615 9.819 1.00 0.10 C ATOM 602 C GLY A 40 5.966 4.698 9.553 1.00 0.10 C ATOM 603 O GLY A 40 6.031 5.781 10.100 1.00 0.10 O ATOM 0 H GLY A 40 6.349 1.749 9.021 1.00 0.10 H new ATOM 0 HA2 GLY A 40 6.859 3.182 10.807 1.00 0.10 H new ATOM 0 HA3 GLY A 40 8.012 4.057 9.820 1.00 0.10 H new ATOM 607 N GLN A 41 4.992 4.415 8.722 1.00 0.13 N ATOM 608 CA GLN A 41 3.927 5.427 8.429 1.00 0.14 C ATOM 609 C GLN A 41 2.689 5.096 9.262 1.00 0.16 C ATOM 610 O GLN A 41 2.374 3.944 9.479 1.00 0.19 O ATOM 611 CB GLN A 41 3.572 5.376 6.942 1.00 0.15 C ATOM 612 CG GLN A 41 4.775 5.831 6.113 1.00 0.13 C ATOM 613 CD GLN A 41 4.939 7.346 6.243 1.00 1.04 C ATOM 614 OE1 GLN A 41 3.975 8.081 6.160 1.00 1.66 O ATOM 615 NE2 GLN A 41 6.125 7.848 6.445 1.00 1.96 N ATOM 0 H GLN A 41 4.888 3.526 8.233 1.00 0.13 H new ATOM 0 HA GLN A 41 4.284 6.426 8.679 1.00 0.14 H new ATOM 0 HB2 GLN A 41 3.285 4.363 6.660 1.00 0.15 H new ATOM 0 HB3 GLN A 41 2.714 6.018 6.740 1.00 0.15 H new ATOM 0 HG2 GLN A 41 5.678 5.326 6.455 1.00 0.13 H new ATOM 0 HG3 GLN A 41 4.634 5.558 5.067 1.00 0.13 H new ATOM 0 HE21 GLN A 41 6.935 7.232 6.515 1.00 1.96 H new ATOM 0 HE22 GLN A 41 6.243 8.857 6.533 1.00 1.96 H new ATOM 624 N ASN A 42 1.988 6.092 9.749 1.00 0.16 N ATOM 625 CA ASN A 42 0.775 5.820 10.587 1.00 0.19 C ATOM 626 C ASN A 42 -0.351 6.801 10.232 1.00 0.13 C ATOM 627 O ASN A 42 -0.618 7.716 10.985 1.00 0.18 O ATOM 628 CB ASN A 42 1.144 5.999 12.061 1.00 0.29 C ATOM 629 CG ASN A 42 -0.007 5.513 12.942 1.00 0.33 C ATOM 630 OD1 ASN A 42 -1.162 5.705 12.618 1.00 0.80 O ATOM 631 ND2 ASN A 42 0.261 4.885 14.055 1.00 0.99 N ATOM 0 H ASN A 42 2.202 7.079 9.604 1.00 0.16 H new ATOM 0 HA ASN A 42 0.431 4.803 10.399 1.00 0.19 H new ATOM 0 HB2 ASN A 42 2.051 5.440 12.289 1.00 0.29 H new ATOM 0 HB3 ASN A 42 1.356 7.048 12.268 1.00 0.29 H new ATOM 0 HD21 ASN A 42 -0.499 4.556 14.651 1.00 0.99 H new ATOM 0 HD22 ASN A 42 1.230 4.723 14.329 1.00 0.99 H new ATOM 638 N PRO A 43 -0.996 6.587 9.103 1.00 0.06 N ATOM 639 CA PRO A 43 -2.105 7.461 8.675 1.00 0.09 C ATOM 640 C PRO A 43 -3.324 7.185 9.568 1.00 0.08 C ATOM 641 O PRO A 43 -3.496 6.090 10.066 1.00 0.06 O ATOM 642 CB PRO A 43 -2.381 7.051 7.210 1.00 0.15 C ATOM 643 CG PRO A 43 -1.559 5.757 6.927 1.00 0.14 C ATOM 644 CD PRO A 43 -0.682 5.482 8.170 1.00 0.11 C ATOM 0 HA PRO A 43 -1.879 8.524 8.753 1.00 0.09 H new ATOM 0 HB2 PRO A 43 -3.445 6.872 7.055 1.00 0.15 H new ATOM 0 HB3 PRO A 43 -2.089 7.848 6.527 1.00 0.15 H new ATOM 0 HG2 PRO A 43 -2.224 4.915 6.733 1.00 0.14 H new ATOM 0 HG3 PRO A 43 -0.938 5.884 6.040 1.00 0.14 H new ATOM 0 HD2 PRO A 43 -0.914 4.513 8.612 1.00 0.11 H new ATOM 0 HD3 PRO A 43 0.377 5.470 7.913 1.00 0.11 H new ATOM 652 N THR A 44 -4.174 8.156 9.778 1.00 0.13 N ATOM 653 CA THR A 44 -5.361 7.897 10.642 1.00 0.14 C ATOM 654 C THR A 44 -6.317 6.956 9.909 1.00 0.12 C ATOM 655 O THR A 44 -6.111 6.617 8.760 1.00 0.12 O ATOM 656 CB THR A 44 -6.083 9.208 10.961 1.00 0.21 C ATOM 657 OG1 THR A 44 -6.389 9.885 9.753 1.00 0.25 O ATOM 658 CG2 THR A 44 -5.189 10.090 11.834 1.00 0.27 C ATOM 0 H THR A 44 -4.100 9.099 9.397 1.00 0.13 H new ATOM 0 HA THR A 44 -5.031 7.442 11.576 1.00 0.14 H new ATOM 0 HB THR A 44 -7.006 8.991 11.499 1.00 0.21 H new ATOM 0 HG1 THR A 44 -6.853 10.724 9.957 1.00 0.25 H new ATOM 0 HG21 THR A 44 -5.706 11.023 12.059 1.00 0.27 H new ATOM 0 HG22 THR A 44 -4.960 9.569 12.763 1.00 0.27 H new ATOM 0 HG23 THR A 44 -4.263 10.308 11.302 1.00 0.27 H new ATOM 666 N GLU A 45 -7.350 6.523 10.568 1.00 0.11 N ATOM 667 CA GLU A 45 -8.313 5.592 9.923 1.00 0.11 C ATOM 668 C GLU A 45 -9.023 6.289 8.762 1.00 0.15 C ATOM 669 O GLU A 45 -9.242 5.702 7.720 1.00 0.15 O ATOM 670 CB GLU A 45 -9.338 5.139 10.964 1.00 0.10 C ATOM 671 CG GLU A 45 -8.685 4.131 11.913 1.00 0.07 C ATOM 672 CD GLU A 45 -9.708 3.657 12.946 1.00 0.86 C ATOM 673 OE1 GLU A 45 -10.031 4.432 13.830 1.00 1.98 O ATOM 674 OE2 GLU A 45 -10.149 2.524 12.838 1.00 1.02 O ATOM 0 H GLU A 45 -7.571 6.775 11.531 1.00 0.11 H new ATOM 0 HA GLU A 45 -7.777 4.727 9.532 1.00 0.11 H new ATOM 0 HB2 GLU A 45 -9.707 5.998 11.525 1.00 0.10 H new ATOM 0 HB3 GLU A 45 -10.198 4.687 10.471 1.00 0.10 H new ATOM 0 HG2 GLU A 45 -8.303 3.280 11.349 1.00 0.07 H new ATOM 0 HG3 GLU A 45 -7.833 4.589 12.415 1.00 0.07 H new ATOM 681 N ALA A 46 -9.385 7.530 8.921 1.00 0.17 N ATOM 682 CA ALA A 46 -10.078 8.238 7.810 1.00 0.21 C ATOM 683 C ALA A 46 -9.109 8.404 6.640 1.00 0.23 C ATOM 684 O ALA A 46 -9.478 8.241 5.495 1.00 0.25 O ATOM 685 CB ALA A 46 -10.570 9.609 8.287 1.00 0.23 C ATOM 0 H ALA A 46 -9.233 8.082 9.765 1.00 0.17 H new ATOM 0 HA ALA A 46 -10.940 7.654 7.487 1.00 0.21 H new ATOM 0 HB1 ALA A 46 -11.076 10.119 7.467 1.00 0.23 H new ATOM 0 HB2 ALA A 46 -11.265 9.478 9.117 1.00 0.23 H new ATOM 0 HB3 ALA A 46 -9.720 10.206 8.617 1.00 0.23 H new ATOM 691 N GLU A 47 -7.869 8.704 6.910 1.00 0.24 N ATOM 692 CA GLU A 47 -6.897 8.848 5.796 1.00 0.26 C ATOM 693 C GLU A 47 -6.806 7.507 5.077 1.00 0.27 C ATOM 694 O GLU A 47 -6.684 7.442 3.873 1.00 0.29 O ATOM 695 CB GLU A 47 -5.515 9.219 6.347 1.00 0.29 C ATOM 696 CG GLU A 47 -5.491 10.693 6.762 1.00 0.31 C ATOM 697 CD GLU A 47 -4.050 11.110 7.064 1.00 0.36 C ATOM 698 OE1 GLU A 47 -3.333 10.313 7.649 1.00 0.76 O ATOM 699 OE2 GLU A 47 -3.687 12.218 6.706 1.00 1.03 O ATOM 0 H GLU A 47 -7.491 8.854 7.845 1.00 0.24 H new ATOM 0 HA GLU A 47 -7.225 9.633 5.115 1.00 0.26 H new ATOM 0 HB2 GLU A 47 -5.275 8.588 7.203 1.00 0.29 H new ATOM 0 HB3 GLU A 47 -4.752 9.034 5.591 1.00 0.29 H new ATOM 0 HG2 GLU A 47 -5.902 11.314 5.966 1.00 0.31 H new ATOM 0 HG3 GLU A 47 -6.118 10.846 7.641 1.00 0.31 H new ATOM 706 N LEU A 48 -6.864 6.432 5.813 1.00 0.27 N ATOM 707 CA LEU A 48 -6.780 5.090 5.176 1.00 0.29 C ATOM 708 C LEU A 48 -8.081 4.790 4.421 1.00 0.27 C ATOM 709 O LEU A 48 -8.058 4.312 3.308 1.00 0.28 O ATOM 710 CB LEU A 48 -6.549 4.020 6.261 1.00 0.29 C ATOM 711 CG LEU A 48 -5.048 3.916 6.607 1.00 0.24 C ATOM 712 CD1 LEU A 48 -4.876 3.332 8.014 1.00 0.43 C ATOM 713 CD2 LEU A 48 -4.334 2.999 5.605 1.00 0.14 C ATOM 0 H LEU A 48 -6.966 6.426 6.828 1.00 0.27 H new ATOM 0 HA LEU A 48 -5.949 5.077 4.471 1.00 0.29 H new ATOM 0 HB2 LEU A 48 -7.118 4.272 7.156 1.00 0.29 H new ATOM 0 HB3 LEU A 48 -6.916 3.055 5.912 1.00 0.29 H new ATOM 0 HG LEU A 48 -4.615 4.915 6.562 1.00 0.24 H new ATOM 0 HD11 LEU A 48 -3.815 3.261 8.251 1.00 0.43 H new ATOM 0 HD12 LEU A 48 -5.368 3.980 8.740 1.00 0.43 H new ATOM 0 HD13 LEU A 48 -5.323 2.339 8.053 1.00 0.43 H new ATOM 0 HD21 LEU A 48 -3.276 2.934 5.861 1.00 0.14 H new ATOM 0 HD22 LEU A 48 -4.778 2.004 5.642 1.00 0.14 H new ATOM 0 HD23 LEU A 48 -4.440 3.406 4.600 1.00 0.14 H new ATOM 725 N GLN A 49 -9.214 5.053 5.012 1.00 0.25 N ATOM 726 CA GLN A 49 -10.494 4.754 4.311 1.00 0.24 C ATOM 727 C GLN A 49 -10.635 5.632 3.066 1.00 0.26 C ATOM 728 O GLN A 49 -11.335 5.291 2.134 1.00 0.30 O ATOM 729 CB GLN A 49 -11.667 5.019 5.261 1.00 0.21 C ATOM 730 CG GLN A 49 -11.787 3.875 6.276 1.00 0.18 C ATOM 731 CD GLN A 49 -12.495 2.679 5.632 1.00 0.88 C ATOM 732 OE1 GLN A 49 -11.952 2.033 4.758 1.00 1.89 O ATOM 733 NE2 GLN A 49 -13.694 2.355 6.033 1.00 0.84 N ATOM 0 H GLN A 49 -9.309 5.459 5.943 1.00 0.25 H new ATOM 0 HA GLN A 49 -10.496 3.708 4.005 1.00 0.24 H new ATOM 0 HB2 GLN A 49 -11.518 5.965 5.782 1.00 0.21 H new ATOM 0 HB3 GLN A 49 -12.593 5.111 4.693 1.00 0.21 H new ATOM 0 HG2 GLN A 49 -10.797 3.579 6.622 1.00 0.18 H new ATOM 0 HG3 GLN A 49 -12.344 4.210 7.151 1.00 0.18 H new ATOM 0 HE21 GLN A 49 -14.150 2.897 6.767 1.00 0.84 H new ATOM 0 HE22 GLN A 49 -14.175 1.560 5.613 1.00 0.84 H new ATOM 742 N ASP A 50 -9.979 6.753 3.040 1.00 0.25 N ATOM 743 CA ASP A 50 -10.086 7.636 1.846 1.00 0.27 C ATOM 744 C ASP A 50 -9.284 7.022 0.704 1.00 0.35 C ATOM 745 O ASP A 50 -9.737 6.956 -0.423 1.00 0.43 O ATOM 746 CB ASP A 50 -9.530 9.024 2.181 1.00 0.24 C ATOM 747 CG ASP A 50 -9.737 9.961 0.990 1.00 1.32 C ATOM 748 OD1 ASP A 50 -10.323 9.526 0.013 1.00 2.22 O ATOM 749 OD2 ASP A 50 -9.304 11.098 1.075 1.00 1.77 O ATOM 0 H ASP A 50 -9.376 7.097 3.787 1.00 0.25 H new ATOM 0 HA ASP A 50 -11.131 7.734 1.551 1.00 0.27 H new ATOM 0 HB2 ASP A 50 -10.031 9.424 3.063 1.00 0.24 H new ATOM 0 HB3 ASP A 50 -8.469 8.954 2.421 1.00 0.24 H new ATOM 754 N MET A 51 -8.102 6.561 0.987 1.00 0.36 N ATOM 755 CA MET A 51 -7.277 5.936 -0.079 1.00 0.46 C ATOM 756 C MET A 51 -7.909 4.602 -0.478 1.00 0.49 C ATOM 757 O MET A 51 -7.846 4.195 -1.619 1.00 0.55 O ATOM 758 CB MET A 51 -5.859 5.703 0.447 1.00 0.51 C ATOM 759 CG MET A 51 -5.245 7.043 0.860 1.00 0.45 C ATOM 760 SD MET A 51 -3.480 6.823 1.200 1.00 0.62 S ATOM 761 CE MET A 51 -3.647 5.983 2.796 1.00 0.69 C ATOM 0 H MET A 51 -7.671 6.590 1.911 1.00 0.36 H new ATOM 0 HA MET A 51 -7.231 6.592 -0.948 1.00 0.46 H new ATOM 0 HB2 MET A 51 -5.882 5.023 1.298 1.00 0.51 H new ATOM 0 HB3 MET A 51 -5.247 5.231 -0.322 1.00 0.51 H new ATOM 0 HG2 MET A 51 -5.384 7.778 0.067 1.00 0.45 H new ATOM 0 HG3 MET A 51 -5.751 7.429 1.745 1.00 0.45 H new ATOM 0 HE1 MET A 51 -2.679 5.958 3.297 1.00 0.69 H new ATOM 0 HE2 MET A 51 -4.363 6.521 3.417 1.00 0.69 H new ATOM 0 HE3 MET A 51 -3.999 4.964 2.636 1.00 0.69 H new ATOM 771 N ILE A 52 -8.532 3.922 0.449 1.00 0.44 N ATOM 772 CA ILE A 52 -9.174 2.625 0.106 1.00 0.47 C ATOM 773 C ILE A 52 -10.343 2.892 -0.843 1.00 0.47 C ATOM 774 O ILE A 52 -10.543 2.188 -1.809 1.00 0.53 O ATOM 775 CB ILE A 52 -9.698 1.948 1.386 1.00 0.42 C ATOM 776 CG1 ILE A 52 -8.514 1.412 2.199 1.00 0.43 C ATOM 777 CG2 ILE A 52 -10.634 0.788 1.012 1.00 0.46 C ATOM 778 CD1 ILE A 52 -8.996 0.864 3.544 1.00 0.35 C ATOM 0 H ILE A 52 -8.622 4.209 1.423 1.00 0.44 H new ATOM 0 HA ILE A 52 -8.446 1.969 -0.371 1.00 0.47 H new ATOM 0 HB ILE A 52 -10.249 2.676 1.982 1.00 0.42 H new ATOM 0 HG12 ILE A 52 -8.006 0.626 1.640 1.00 0.43 H new ATOM 0 HG13 ILE A 52 -7.787 2.207 2.363 1.00 0.43 H new ATOM 0 HG21 ILE A 52 -11.003 0.311 1.920 1.00 0.46 H new ATOM 0 HG22 ILE A 52 -11.476 1.171 0.435 1.00 0.46 H new ATOM 0 HG23 ILE A 52 -10.088 0.058 0.415 1.00 0.46 H new ATOM 0 HD11 ILE A 52 -8.144 0.487 4.110 1.00 0.35 H new ATOM 0 HD12 ILE A 52 -9.483 1.660 4.108 1.00 0.35 H new ATOM 0 HD13 ILE A 52 -9.705 0.054 3.374 1.00 0.35 H new ATOM 790 N ASN A 53 -11.129 3.892 -0.562 1.00 0.41 N ATOM 791 CA ASN A 53 -12.295 4.184 -1.442 1.00 0.42 C ATOM 792 C ASN A 53 -11.803 4.413 -2.879 1.00 0.49 C ATOM 793 O ASN A 53 -12.457 4.044 -3.832 1.00 0.53 O ATOM 794 CB ASN A 53 -13.052 5.428 -0.910 1.00 0.33 C ATOM 795 CG ASN A 53 -14.567 5.233 -1.057 1.00 0.37 C ATOM 796 OD1 ASN A 53 -15.254 4.957 -0.094 1.00 1.14 O ATOM 797 ND2 ASN A 53 -15.115 5.366 -2.233 1.00 0.89 N ATOM 0 H ASN A 53 -11.016 4.518 0.235 1.00 0.41 H new ATOM 0 HA ASN A 53 -12.983 3.339 -1.440 1.00 0.42 H new ATOM 0 HB2 ASN A 53 -12.800 5.595 0.137 1.00 0.33 H new ATOM 0 HB3 ASN A 53 -12.738 6.316 -1.459 1.00 0.33 H new ATOM 0 HD21 ASN A 53 -16.121 5.238 -2.344 1.00 0.89 H new ATOM 0 HD22 ASN A 53 -14.538 5.598 -3.041 1.00 0.89 H new ATOM 804 N GLU A 54 -10.652 5.007 -3.037 1.00 0.52 N ATOM 805 CA GLU A 54 -10.113 5.243 -4.408 1.00 0.60 C ATOM 806 C GLU A 54 -9.463 3.964 -4.928 1.00 0.69 C ATOM 807 O GLU A 54 -9.762 3.483 -6.003 1.00 0.70 O ATOM 808 CB GLU A 54 -9.075 6.374 -4.364 1.00 0.62 C ATOM 809 CG GLU A 54 -9.784 7.735 -4.351 1.00 0.53 C ATOM 810 CD GLU A 54 -10.291 8.062 -5.759 1.00 1.13 C ATOM 811 OE1 GLU A 54 -9.503 7.981 -6.685 1.00 1.69 O ATOM 812 OE2 GLU A 54 -11.460 8.391 -5.884 1.00 2.67 O ATOM 0 H GLU A 54 -10.060 5.340 -2.276 1.00 0.52 H new ATOM 0 HA GLU A 54 -10.927 5.529 -5.075 1.00 0.60 H new ATOM 0 HB2 GLU A 54 -8.450 6.271 -3.477 1.00 0.62 H new ATOM 0 HB3 GLU A 54 -8.414 6.307 -5.228 1.00 0.62 H new ATOM 0 HG2 GLU A 54 -10.617 7.716 -3.649 1.00 0.53 H new ATOM 0 HG3 GLU A 54 -9.098 8.511 -4.011 1.00 0.53 H new ATOM 819 N VAL A 55 -8.559 3.428 -4.168 1.00 0.77 N ATOM 820 CA VAL A 55 -7.844 2.192 -4.587 1.00 0.88 C ATOM 821 C VAL A 55 -8.824 1.042 -4.755 1.00 0.90 C ATOM 822 O VAL A 55 -8.633 0.145 -5.552 1.00 1.00 O ATOM 823 CB VAL A 55 -6.813 1.829 -3.526 1.00 0.89 C ATOM 824 CG1 VAL A 55 -6.167 0.495 -3.882 1.00 0.97 C ATOM 825 CG2 VAL A 55 -5.751 2.923 -3.475 1.00 0.89 C ATOM 0 H VAL A 55 -8.278 3.797 -3.259 1.00 0.77 H new ATOM 0 HA VAL A 55 -7.351 2.373 -5.542 1.00 0.88 H new ATOM 0 HB VAL A 55 -7.294 1.742 -2.552 1.00 0.89 H new ATOM 0 HG11 VAL A 55 -5.429 0.234 -3.123 1.00 0.97 H new ATOM 0 HG12 VAL A 55 -6.932 -0.280 -3.925 1.00 0.97 H new ATOM 0 HG13 VAL A 55 -5.677 0.575 -4.852 1.00 0.97 H new ATOM 0 HG21 VAL A 55 -5.007 2.673 -2.718 1.00 0.89 H new ATOM 0 HG22 VAL A 55 -5.266 3.005 -4.448 1.00 0.89 H new ATOM 0 HG23 VAL A 55 -6.220 3.874 -3.223 1.00 0.89 H new ATOM 835 N ASP A 56 -9.865 1.080 -4.010 1.00 0.82 N ATOM 836 CA ASP A 56 -10.898 0.003 -4.096 1.00 0.86 C ATOM 837 C ASP A 56 -11.771 0.292 -5.307 1.00 0.91 C ATOM 838 O ASP A 56 -12.973 0.110 -5.295 1.00 0.91 O ATOM 839 CB ASP A 56 -11.758 -0.022 -2.827 1.00 0.77 C ATOM 840 CG ASP A 56 -12.768 -1.168 -2.920 1.00 0.92 C ATOM 841 OD1 ASP A 56 -12.623 -1.988 -3.812 1.00 1.93 O ATOM 842 OD2 ASP A 56 -13.667 -1.208 -2.097 1.00 0.71 O ATOM 0 H ASP A 56 -10.063 1.814 -3.330 1.00 0.82 H new ATOM 0 HA ASP A 56 -10.415 -0.969 -4.193 1.00 0.86 H new ATOM 0 HB2 ASP A 56 -11.126 -0.150 -1.948 1.00 0.77 H new ATOM 0 HB3 ASP A 56 -12.279 0.928 -2.709 1.00 0.77 H new ATOM 847 N ALA A 57 -11.152 0.752 -6.348 1.00 0.97 N ATOM 848 CA ALA A 57 -11.885 1.083 -7.591 1.00 1.02 C ATOM 849 C ALA A 57 -12.148 -0.198 -8.378 1.00 1.12 C ATOM 850 O ALA A 57 -13.011 -0.253 -9.233 1.00 1.23 O ATOM 851 CB ALA A 57 -11.024 2.053 -8.408 1.00 1.05 C ATOM 0 H ALA A 57 -10.146 0.916 -6.391 1.00 0.97 H new ATOM 0 HA ALA A 57 -12.844 1.549 -7.364 1.00 1.02 H new ATOM 0 HB1 ALA A 57 -11.544 2.312 -9.330 1.00 1.05 H new ATOM 0 HB2 ALA A 57 -10.843 2.957 -7.827 1.00 1.05 H new ATOM 0 HB3 ALA A 57 -10.072 1.580 -8.649 1.00 1.05 H new ATOM 857 N ASP A 58 -11.415 -1.230 -8.081 1.00 1.10 N ATOM 858 CA ASP A 58 -11.611 -2.522 -8.786 1.00 1.19 C ATOM 859 C ASP A 58 -12.810 -3.246 -8.173 1.00 1.12 C ATOM 860 O ASP A 58 -13.388 -4.135 -8.767 1.00 1.21 O ATOM 861 CB ASP A 58 -10.344 -3.389 -8.668 1.00 1.20 C ATOM 862 CG ASP A 58 -10.350 -4.463 -9.759 1.00 1.36 C ATOM 863 OD1 ASP A 58 -11.343 -4.560 -10.461 1.00 0.64 O ATOM 864 OD2 ASP A 58 -9.361 -5.167 -9.873 1.00 2.35 O ATOM 0 H ASP A 58 -10.681 -1.233 -7.373 1.00 1.10 H new ATOM 0 HA ASP A 58 -11.800 -2.337 -9.843 1.00 1.19 H new ATOM 0 HB2 ASP A 58 -9.455 -2.766 -8.763 1.00 1.20 H new ATOM 0 HB3 ASP A 58 -10.302 -3.857 -7.684 1.00 1.20 H new ATOM 869 N GLY A 59 -13.182 -2.865 -6.986 1.00 0.98 N ATOM 870 CA GLY A 59 -14.342 -3.517 -6.313 1.00 0.94 C ATOM 871 C GLY A 59 -13.944 -4.913 -5.830 1.00 0.89 C ATOM 872 O GLY A 59 -14.788 -5.736 -5.532 1.00 0.82 O ATOM 0 H GLY A 59 -12.731 -2.125 -6.447 1.00 0.98 H new ATOM 0 HA2 GLY A 59 -14.672 -2.911 -5.469 1.00 0.94 H new ATOM 0 HA3 GLY A 59 -15.182 -3.587 -7.004 1.00 0.94 H new ATOM 876 N ASN A 60 -12.665 -5.192 -5.750 1.00 0.94 N ATOM 877 CA ASN A 60 -12.205 -6.543 -5.288 1.00 0.92 C ATOM 878 C ASN A 60 -11.755 -6.476 -3.819 1.00 0.81 C ATOM 879 O ASN A 60 -11.250 -7.434 -3.272 1.00 1.32 O ATOM 880 CB ASN A 60 -11.042 -7.021 -6.170 1.00 0.95 C ATOM 881 CG ASN A 60 -11.454 -6.954 -7.642 1.00 1.44 C ATOM 882 OD1 ASN A 60 -12.425 -6.310 -7.985 1.00 1.67 O ATOM 883 ND2 ASN A 60 -10.747 -7.596 -8.534 1.00 2.08 N ATOM 0 H ASN A 60 -11.916 -4.541 -5.985 1.00 0.94 H new ATOM 0 HA ASN A 60 -13.033 -7.248 -5.369 1.00 0.92 H new ATOM 0 HB2 ASN A 60 -10.163 -6.399 -5.999 1.00 0.95 H new ATOM 0 HB3 ASN A 60 -10.767 -8.042 -5.905 1.00 0.95 H new ATOM 0 HD21 ASN A 60 -11.011 -7.556 -9.519 1.00 2.08 H new ATOM 0 HD22 ASN A 60 -9.932 -8.137 -8.246 1.00 2.08 H new ATOM 890 N GLY A 61 -11.954 -5.355 -3.175 1.00 0.25 N ATOM 891 CA GLY A 61 -11.559 -5.224 -1.736 1.00 0.26 C ATOM 892 C GLY A 61 -10.131 -5.737 -1.518 1.00 0.20 C ATOM 893 O GLY A 61 -9.789 -6.216 -0.455 1.00 0.24 O ATOM 0 H GLY A 61 -12.375 -4.520 -3.583 1.00 0.25 H new ATOM 0 HA2 GLY A 61 -11.627 -4.180 -1.429 1.00 0.26 H new ATOM 0 HA3 GLY A 61 -12.252 -5.786 -1.111 1.00 0.26 H new ATOM 897 N THR A 62 -9.293 -5.638 -2.516 1.00 0.17 N ATOM 898 CA THR A 62 -7.881 -6.109 -2.386 1.00 0.19 C ATOM 899 C THR A 62 -6.960 -5.113 -3.100 1.00 0.18 C ATOM 900 O THR A 62 -7.418 -4.208 -3.770 1.00 0.18 O ATOM 901 CB THR A 62 -7.740 -7.480 -3.048 1.00 0.26 C ATOM 902 OG1 THR A 62 -8.325 -7.446 -4.342 1.00 0.35 O ATOM 903 CG2 THR A 62 -8.450 -8.530 -2.196 1.00 0.36 C ATOM 0 H THR A 62 -9.529 -5.246 -3.428 1.00 0.17 H new ATOM 0 HA THR A 62 -7.612 -6.182 -1.332 1.00 0.19 H new ATOM 0 HB THR A 62 -6.684 -7.734 -3.135 1.00 0.26 H new ATOM 0 HG1 THR A 62 -9.296 -7.550 -4.265 1.00 0.35 H new ATOM 0 HG21 THR A 62 -8.351 -9.508 -2.666 1.00 0.36 H new ATOM 0 HG22 THR A 62 -8.001 -8.557 -1.203 1.00 0.36 H new ATOM 0 HG23 THR A 62 -9.506 -8.275 -2.109 1.00 0.36 H new ATOM 911 N ILE A 63 -5.666 -5.268 -2.968 1.00 0.18 N ATOM 912 CA ILE A 63 -4.716 -4.330 -3.643 1.00 0.18 C ATOM 913 C ILE A 63 -3.527 -5.123 -4.187 1.00 0.19 C ATOM 914 O ILE A 63 -2.992 -5.983 -3.521 1.00 0.19 O ATOM 915 CB ILE A 63 -4.216 -3.297 -2.622 1.00 0.14 C ATOM 916 CG1 ILE A 63 -5.391 -2.890 -1.718 1.00 0.10 C ATOM 917 CG2 ILE A 63 -3.643 -2.067 -3.351 1.00 0.15 C ATOM 918 CD1 ILE A 63 -4.977 -1.769 -0.764 1.00 0.08 C ATOM 0 H ILE A 63 -5.225 -6.006 -2.420 1.00 0.18 H new ATOM 0 HA ILE A 63 -5.221 -3.820 -4.463 1.00 0.18 H new ATOM 0 HB ILE A 63 -3.422 -3.729 -2.013 1.00 0.14 H new ATOM 0 HG12 ILE A 63 -6.230 -2.561 -2.331 1.00 0.10 H new ATOM 0 HG13 ILE A 63 -5.732 -3.753 -1.146 1.00 0.10 H new ATOM 0 HG21 ILE A 63 -3.291 -1.341 -2.618 1.00 0.15 H new ATOM 0 HG22 ILE A 63 -2.811 -2.375 -3.985 1.00 0.15 H new ATOM 0 HG23 ILE A 63 -4.420 -1.614 -3.966 1.00 0.15 H new ATOM 0 HD11 ILE A 63 -5.823 -1.497 -0.134 1.00 0.08 H new ATOM 0 HD12 ILE A 63 -4.153 -2.110 -0.137 1.00 0.08 H new ATOM 0 HD13 ILE A 63 -4.659 -0.900 -1.340 1.00 0.08 H new ATOM 930 N ASP A 64 -3.102 -4.827 -5.387 1.00 0.21 N ATOM 931 CA ASP A 64 -1.930 -5.537 -5.987 1.00 0.22 C ATOM 932 C ASP A 64 -0.698 -4.615 -5.867 1.00 0.21 C ATOM 933 O ASP A 64 -0.825 -3.451 -5.540 1.00 0.22 O ATOM 934 CB ASP A 64 -2.243 -5.882 -7.452 1.00 0.26 C ATOM 935 CG ASP A 64 -2.463 -4.603 -8.266 1.00 0.31 C ATOM 936 OD1 ASP A 64 -2.046 -3.551 -7.816 1.00 0.23 O ATOM 937 OD2 ASP A 64 -3.050 -4.700 -9.332 1.00 0.48 O ATOM 0 H ASP A 64 -3.521 -4.115 -5.985 1.00 0.21 H new ATOM 0 HA ASP A 64 -1.722 -6.471 -5.465 1.00 0.22 H new ATOM 0 HB2 ASP A 64 -1.422 -6.457 -7.880 1.00 0.26 H new ATOM 0 HB3 ASP A 64 -3.132 -6.510 -7.502 1.00 0.26 H new ATOM 942 N PHE A 65 0.490 -5.124 -6.078 1.00 0.20 N ATOM 943 CA PHE A 65 1.714 -4.267 -5.916 1.00 0.20 C ATOM 944 C PHE A 65 1.761 -3.063 -6.886 1.00 0.21 C ATOM 945 O PHE A 65 2.104 -1.985 -6.446 1.00 0.19 O ATOM 946 CB PHE A 65 2.993 -5.121 -6.035 1.00 0.20 C ATOM 947 CG PHE A 65 4.199 -4.302 -5.619 1.00 0.18 C ATOM 948 CD1 PHE A 65 4.322 -3.845 -4.298 1.00 0.65 C ATOM 949 CD2 PHE A 65 5.199 -4.003 -6.556 1.00 0.57 C ATOM 950 CE1 PHE A 65 5.439 -3.091 -3.920 1.00 0.63 C ATOM 951 CE2 PHE A 65 6.315 -3.249 -6.174 1.00 0.59 C ATOM 952 CZ PHE A 65 6.435 -2.793 -4.858 1.00 0.18 C ATOM 0 H PHE A 65 0.669 -6.089 -6.354 1.00 0.20 H new ATOM 0 HA PHE A 65 1.658 -3.841 -4.914 1.00 0.20 H new ATOM 0 HB2 PHE A 65 2.909 -6.007 -5.406 1.00 0.20 H new ATOM 0 HB3 PHE A 65 3.115 -5.469 -7.061 1.00 0.20 H new ATOM 0 HD1 PHE A 65 3.555 -4.075 -3.573 1.00 0.65 H new ATOM 0 HD2 PHE A 65 5.108 -4.355 -7.573 1.00 0.57 H new ATOM 0 HE1 PHE A 65 5.533 -2.739 -2.903 1.00 0.63 H new ATOM 0 HE2 PHE A 65 7.084 -3.019 -6.897 1.00 0.59 H new ATOM 0 HZ PHE A 65 7.296 -2.211 -4.565 1.00 0.18 H new ATOM 962 N PRO A 66 1.431 -3.214 -8.160 1.00 0.22 N ATOM 963 CA PRO A 66 1.477 -2.054 -9.068 1.00 0.23 C ATOM 964 C PRO A 66 0.596 -0.934 -8.502 1.00 0.25 C ATOM 965 O PRO A 66 1.001 0.209 -8.425 1.00 0.29 O ATOM 966 CB PRO A 66 0.949 -2.574 -10.424 1.00 0.23 C ATOM 967 CG PRO A 66 0.681 -4.097 -10.263 1.00 0.24 C ATOM 968 CD PRO A 66 0.992 -4.476 -8.795 1.00 0.25 C ATOM 0 HA PRO A 66 2.478 -1.639 -9.182 1.00 0.23 H new ATOM 0 HB2 PRO A 66 0.035 -2.051 -10.707 1.00 0.23 H new ATOM 0 HB3 PRO A 66 1.677 -2.394 -11.215 1.00 0.23 H new ATOM 0 HG2 PRO A 66 -0.355 -4.331 -10.507 1.00 0.24 H new ATOM 0 HG3 PRO A 66 1.307 -4.670 -10.947 1.00 0.24 H new ATOM 0 HD2 PRO A 66 0.112 -4.883 -8.297 1.00 0.25 H new ATOM 0 HD3 PRO A 66 1.770 -5.237 -8.740 1.00 0.25 H new ATOM 976 N GLU A 67 -0.603 -1.256 -8.099 1.00 0.26 N ATOM 977 CA GLU A 67 -1.495 -0.212 -7.535 1.00 0.28 C ATOM 978 C GLU A 67 -0.922 0.266 -6.199 1.00 0.28 C ATOM 979 O GLU A 67 -1.047 1.420 -5.841 1.00 0.29 O ATOM 980 CB GLU A 67 -2.901 -0.777 -7.323 1.00 0.30 C ATOM 981 CG GLU A 67 -3.515 -1.145 -8.676 1.00 0.31 C ATOM 982 CD GLU A 67 -4.773 -1.986 -8.453 1.00 0.32 C ATOM 983 OE1 GLU A 67 -4.778 -2.772 -7.520 1.00 0.25 O ATOM 984 OE2 GLU A 67 -5.712 -1.828 -9.217 1.00 0.49 O ATOM 0 H GLU A 67 -1.000 -2.195 -8.137 1.00 0.26 H new ATOM 0 HA GLU A 67 -1.557 0.625 -8.230 1.00 0.28 H new ATOM 0 HB2 GLU A 67 -2.858 -1.656 -6.681 1.00 0.30 H new ATOM 0 HB3 GLU A 67 -3.527 -0.042 -6.816 1.00 0.30 H new ATOM 0 HG2 GLU A 67 -3.763 -0.241 -9.233 1.00 0.31 H new ATOM 0 HG3 GLU A 67 -2.794 -1.701 -9.275 1.00 0.31 H new ATOM 991 N PHE A 68 -0.281 -0.601 -5.458 1.00 0.28 N ATOM 992 CA PHE A 68 0.302 -0.164 -4.161 1.00 0.29 C ATOM 993 C PHE A 68 1.315 0.941 -4.453 1.00 0.32 C ATOM 994 O PHE A 68 1.462 1.882 -3.698 1.00 0.35 O ATOM 995 CB PHE A 68 0.995 -1.343 -3.457 1.00 0.23 C ATOM 996 CG PHE A 68 1.504 -0.904 -2.101 1.00 0.14 C ATOM 997 CD1 PHE A 68 0.649 -0.927 -0.987 1.00 0.13 C ATOM 998 CD2 PHE A 68 2.828 -0.471 -1.954 1.00 0.17 C ATOM 999 CE1 PHE A 68 1.123 -0.518 0.269 1.00 0.10 C ATOM 1000 CE2 PHE A 68 3.298 -0.062 -0.698 1.00 0.17 C ATOM 1001 CZ PHE A 68 2.446 -0.085 0.409 1.00 0.11 C ATOM 0 H PHE A 68 -0.139 -1.583 -5.694 1.00 0.28 H new ATOM 0 HA PHE A 68 -0.485 0.203 -3.502 1.00 0.29 H new ATOM 0 HB2 PHE A 68 0.296 -2.171 -3.342 1.00 0.23 H new ATOM 0 HB3 PHE A 68 1.823 -1.706 -4.066 1.00 0.23 H new ATOM 0 HD1 PHE A 68 -0.373 -1.259 -1.097 1.00 0.13 H new ATOM 0 HD2 PHE A 68 3.487 -0.452 -2.809 1.00 0.17 H new ATOM 0 HE1 PHE A 68 0.467 -0.537 1.127 1.00 0.10 H new ATOM 0 HE2 PHE A 68 4.319 0.271 -0.586 1.00 0.17 H new ATOM 0 HZ PHE A 68 2.810 0.232 1.375 1.00 0.11 H new ATOM 1011 N LEU A 69 2.007 0.840 -5.558 1.00 0.31 N ATOM 1012 CA LEU A 69 3.002 1.895 -5.909 1.00 0.35 C ATOM 1013 C LEU A 69 2.270 3.176 -6.328 1.00 0.40 C ATOM 1014 O LEU A 69 2.798 4.263 -6.211 1.00 0.45 O ATOM 1015 CB LEU A 69 3.877 1.421 -7.077 1.00 0.29 C ATOM 1016 CG LEU A 69 4.776 0.260 -6.635 1.00 0.26 C ATOM 1017 CD1 LEU A 69 5.529 -0.277 -7.859 1.00 0.29 C ATOM 1018 CD2 LEU A 69 5.787 0.738 -5.571 1.00 0.29 C ATOM 0 H LEU A 69 1.927 0.076 -6.229 1.00 0.31 H new ATOM 0 HA LEU A 69 3.627 2.092 -5.038 1.00 0.35 H new ATOM 0 HB2 LEU A 69 3.246 1.105 -7.907 1.00 0.29 H new ATOM 0 HB3 LEU A 69 4.490 2.247 -7.439 1.00 0.29 H new ATOM 0 HG LEU A 69 4.161 -0.527 -6.199 1.00 0.26 H new ATOM 0 HD11 LEU A 69 6.172 -1.104 -7.557 1.00 0.29 H new ATOM 0 HD12 LEU A 69 4.813 -0.627 -8.602 1.00 0.29 H new ATOM 0 HD13 LEU A 69 6.138 0.518 -8.289 1.00 0.29 H new ATOM 0 HD21 LEU A 69 6.418 -0.097 -5.267 1.00 0.29 H new ATOM 0 HD22 LEU A 69 6.409 1.529 -5.990 1.00 0.29 H new ATOM 0 HD23 LEU A 69 5.249 1.120 -4.704 1.00 0.29 H new ATOM 1030 N THR A 70 1.063 3.064 -6.825 1.00 0.41 N ATOM 1031 CA THR A 70 0.328 4.289 -7.255 1.00 0.47 C ATOM 1032 C THR A 70 -0.112 5.093 -6.027 1.00 0.50 C ATOM 1033 O THR A 70 -0.048 6.307 -6.026 1.00 0.41 O ATOM 1034 CB THR A 70 -0.891 3.904 -8.112 1.00 0.48 C ATOM 1035 OG1 THR A 70 -0.442 3.357 -9.342 1.00 0.45 O ATOM 1036 CG2 THR A 70 -1.738 5.147 -8.388 1.00 0.54 C ATOM 0 H THR A 70 0.560 2.185 -6.950 1.00 0.41 H new ATOM 0 HA THR A 70 0.992 4.908 -7.858 1.00 0.47 H new ATOM 0 HB THR A 70 -1.493 3.168 -7.579 1.00 0.48 H new ATOM 0 HG1 THR A 70 -1.215 3.108 -9.891 1.00 0.45 H new ATOM 0 HG21 THR A 70 -2.601 4.872 -8.995 1.00 0.54 H new ATOM 0 HG22 THR A 70 -2.079 5.572 -7.444 1.00 0.54 H new ATOM 0 HG23 THR A 70 -1.139 5.884 -8.922 1.00 0.54 H new ATOM 1044 N MET A 71 -0.547 4.446 -4.976 1.00 0.66 N ATOM 1045 CA MET A 71 -0.966 5.224 -3.768 1.00 0.71 C ATOM 1046 C MET A 71 0.288 5.767 -3.071 1.00 0.67 C ATOM 1047 O MET A 71 0.297 6.871 -2.562 1.00 0.61 O ATOM 1048 CB MET A 71 -1.849 4.361 -2.816 1.00 0.97 C ATOM 1049 CG MET A 71 -1.033 3.514 -1.811 1.00 0.79 C ATOM 1050 SD MET A 71 -2.114 3.040 -0.436 1.00 0.79 S ATOM 1051 CE MET A 71 -2.913 1.616 -1.222 1.00 0.68 C ATOM 0 H MET A 71 -0.630 3.432 -4.900 1.00 0.66 H new ATOM 0 HA MET A 71 -1.588 6.067 -4.070 1.00 0.71 H new ATOM 0 HB2 MET A 71 -2.521 5.017 -2.263 1.00 0.97 H new ATOM 0 HB3 MET A 71 -2.473 3.697 -3.415 1.00 0.97 H new ATOM 0 HG2 MET A 71 -0.635 2.626 -2.302 1.00 0.79 H new ATOM 0 HG3 MET A 71 -0.180 4.084 -1.442 1.00 0.79 H new ATOM 0 HE1 MET A 71 -3.964 1.585 -0.936 1.00 0.68 H new ATOM 0 HE2 MET A 71 -2.834 1.707 -2.305 1.00 0.68 H new ATOM 0 HE3 MET A 71 -2.422 0.699 -0.898 1.00 0.68 H new ATOM 1061 N MET A 72 1.353 5.008 -3.060 1.00 0.71 N ATOM 1062 CA MET A 72 2.608 5.487 -2.416 1.00 0.70 C ATOM 1063 C MET A 72 3.200 6.621 -3.257 1.00 0.59 C ATOM 1064 O MET A 72 3.725 7.584 -2.732 1.00 0.58 O ATOM 1065 CB MET A 72 3.612 4.337 -2.333 1.00 0.80 C ATOM 1066 CG MET A 72 3.122 3.304 -1.318 1.00 0.83 C ATOM 1067 SD MET A 72 3.222 4.003 0.350 1.00 0.99 S ATOM 1068 CE MET A 72 4.924 3.504 0.703 1.00 0.64 C ATOM 0 H MET A 72 1.406 4.076 -3.470 1.00 0.71 H new ATOM 0 HA MET A 72 2.390 5.848 -1.411 1.00 0.70 H new ATOM 0 HB2 MET A 72 3.731 3.873 -3.312 1.00 0.80 H new ATOM 0 HB3 MET A 72 4.591 4.715 -2.039 1.00 0.80 H new ATOM 0 HG2 MET A 72 2.095 3.016 -1.543 1.00 0.83 H new ATOM 0 HG3 MET A 72 3.727 2.400 -1.382 1.00 0.83 H new ATOM 0 HE1 MET A 72 5.178 3.776 1.728 1.00 0.64 H new ATOM 0 HE2 MET A 72 5.020 2.425 0.580 1.00 0.64 H new ATOM 0 HE3 MET A 72 5.602 4.010 0.015 1.00 0.64 H new ATOM 1078 N ALA A 73 3.121 6.518 -4.557 1.00 0.53 N ATOM 1079 CA ALA A 73 3.678 7.594 -5.419 1.00 0.46 C ATOM 1080 C ALA A 73 2.853 8.870 -5.238 1.00 0.41 C ATOM 1081 O ALA A 73 3.352 9.968 -5.377 1.00 0.43 O ATOM 1082 CB ALA A 73 3.632 7.154 -6.884 1.00 0.44 C ATOM 0 H ALA A 73 2.696 5.737 -5.056 1.00 0.53 H new ATOM 0 HA ALA A 73 4.712 7.788 -5.135 1.00 0.46 H new ATOM 0 HB1 ALA A 73 4.041 7.944 -7.514 1.00 0.44 H new ATOM 0 HB2 ALA A 73 4.223 6.247 -7.010 1.00 0.44 H new ATOM 0 HB3 ALA A 73 2.599 6.957 -7.173 1.00 0.44 H new ATOM 1088 N ARG A 74 1.592 8.736 -4.921 1.00 0.38 N ATOM 1089 CA ARG A 74 0.742 9.943 -4.730 1.00 0.37 C ATOM 1090 C ARG A 74 1.207 10.686 -3.477 1.00 0.37 C ATOM 1091 O ARG A 74 1.186 11.899 -3.413 1.00 0.39 O ATOM 1092 CB ARG A 74 -0.728 9.516 -4.569 1.00 0.38 C ATOM 1093 CG ARG A 74 -1.387 9.314 -5.955 1.00 0.65 C ATOM 1094 CD ARG A 74 -2.117 10.586 -6.396 1.00 0.86 C ATOM 1095 NE ARG A 74 -2.314 10.552 -7.872 1.00 2.39 N ATOM 1096 CZ ARG A 74 -3.164 11.364 -8.437 1.00 2.79 C ATOM 1097 NH1 ARG A 74 -3.832 12.216 -7.710 1.00 2.13 N ATOM 1098 NH2 ARG A 74 -3.344 11.324 -9.728 1.00 4.15 N ATOM 0 H ARG A 74 1.117 7.844 -4.787 1.00 0.38 H new ATOM 0 HA ARG A 74 0.829 10.599 -5.596 1.00 0.37 H new ATOM 0 HB2 ARG A 74 -0.784 8.591 -3.995 1.00 0.38 H new ATOM 0 HB3 ARG A 74 -1.274 10.274 -4.007 1.00 0.38 H new ATOM 0 HG2 ARG A 74 -0.626 9.051 -6.690 1.00 0.65 H new ATOM 0 HG3 ARG A 74 -2.089 8.482 -5.912 1.00 0.65 H new ATOM 0 HD2 ARG A 74 -3.080 10.661 -5.890 1.00 0.86 H new ATOM 0 HD3 ARG A 74 -1.540 11.467 -6.114 1.00 0.86 H new ATOM 0 HE ARG A 74 -1.783 9.893 -8.442 1.00 2.39 H new ATOM 0 HH11 ARG A 74 -3.689 12.247 -6.700 1.00 2.13 H new ATOM 0 HH12 ARG A 74 -4.497 12.851 -8.151 1.00 2.13 H new ATOM 0 HH21 ARG A 74 -2.820 10.658 -10.296 1.00 4.15 H new ATOM 0 HH22 ARG A 74 -4.009 11.959 -10.170 1.00 4.15 H new ATOM 1112 N LYS A 75 1.629 9.962 -2.483 1.00 0.41 N ATOM 1113 CA LYS A 75 2.101 10.611 -1.230 1.00 0.42 C ATOM 1114 C LYS A 75 3.501 11.172 -1.456 1.00 0.38 C ATOM 1115 O LYS A 75 3.804 12.295 -1.106 1.00 0.32 O ATOM 1116 CB LYS A 75 2.135 9.567 -0.106 1.00 0.50 C ATOM 1117 CG LYS A 75 0.723 9.354 0.471 1.00 0.58 C ATOM 1118 CD LYS A 75 0.428 10.402 1.553 1.00 1.32 C ATOM 1119 CE LYS A 75 -0.936 10.115 2.182 1.00 1.92 C ATOM 1120 NZ LYS A 75 -1.249 11.170 3.189 1.00 2.66 N ATOM 0 H LYS A 75 1.668 8.943 -2.483 1.00 0.41 H new ATOM 0 HA LYS A 75 1.427 11.421 -0.951 1.00 0.42 H new ATOM 0 HB2 LYS A 75 2.525 8.624 -0.489 1.00 0.50 H new ATOM 0 HB3 LYS A 75 2.812 9.895 0.683 1.00 0.50 H new ATOM 0 HG2 LYS A 75 -0.018 9.425 -0.326 1.00 0.58 H new ATOM 0 HG3 LYS A 75 0.642 8.352 0.893 1.00 0.58 H new ATOM 0 HD2 LYS A 75 1.205 10.380 2.317 1.00 1.32 H new ATOM 0 HD3 LYS A 75 0.437 11.402 1.118 1.00 1.32 H new ATOM 0 HE2 LYS A 75 -1.707 10.092 1.411 1.00 1.92 H new ATOM 0 HE3 LYS A 75 -0.931 9.134 2.657 1.00 1.92 H new ATOM 0 HZ1 LYS A 75 -2.176 10.976 3.618 1.00 2.66 H new ATOM 0 HZ2 LYS A 75 -0.519 11.171 3.929 1.00 2.66 H new ATOM 0 HZ3 LYS A 75 -1.270 12.099 2.723 1.00 2.66 H new ATOM 1134 N MET A 76 4.430 10.344 -1.828 1.00 0.35 N ATOM 1135 CA MET A 76 5.859 10.799 -1.869 1.00 0.39 C ATOM 1136 C MET A 76 6.053 12.096 -2.640 1.00 0.30 C ATOM 1137 O MET A 76 6.918 12.880 -2.303 1.00 1.23 O ATOM 1138 CB MET A 76 6.738 9.670 -2.419 1.00 0.45 C ATOM 1139 CG MET A 76 7.027 8.679 -1.283 1.00 0.48 C ATOM 1140 SD MET A 76 5.770 7.382 -1.269 1.00 2.18 S ATOM 1141 CE MET A 76 6.463 6.375 -2.599 1.00 2.34 C ATOM 0 H MET A 76 4.272 9.375 -2.106 1.00 0.35 H new ATOM 0 HA MET A 76 6.165 11.027 -0.848 1.00 0.39 H new ATOM 0 HB2 MET A 76 6.234 9.165 -3.243 1.00 0.45 H new ATOM 0 HB3 MET A 76 7.670 10.074 -2.815 1.00 0.45 H new ATOM 0 HG2 MET A 76 8.015 8.239 -1.415 1.00 0.48 H new ATOM 0 HG3 MET A 76 7.035 9.201 -0.326 1.00 0.48 H new ATOM 0 HE1 MET A 76 6.399 5.321 -2.329 1.00 2.34 H new ATOM 0 HE2 MET A 76 5.902 6.549 -3.517 1.00 2.34 H new ATOM 0 HE3 MET A 76 7.507 6.646 -2.755 1.00 2.34 H new ATOM 1151 N LYS A 77 5.286 12.362 -3.639 1.00 0.76 N ATOM 1152 CA LYS A 77 5.487 13.646 -4.360 1.00 0.58 C ATOM 1153 C LYS A 77 5.611 14.801 -3.357 1.00 0.38 C ATOM 1154 O LYS A 77 6.015 15.896 -3.690 1.00 0.90 O ATOM 1155 CB LYS A 77 4.285 13.870 -5.283 1.00 0.78 C ATOM 1156 CG LYS A 77 3.307 14.879 -4.668 1.00 1.09 C ATOM 1157 CD LYS A 77 2.009 14.891 -5.480 1.00 1.04 C ATOM 1158 CE LYS A 77 0.951 15.725 -4.751 1.00 2.26 C ATOM 1159 NZ LYS A 77 1.231 17.174 -4.959 1.00 3.26 N ATOM 0 H LYS A 77 4.538 11.764 -3.991 1.00 0.76 H new ATOM 0 HA LYS A 77 6.405 13.608 -4.947 1.00 0.58 H new ATOM 0 HB2 LYS A 77 4.627 14.233 -6.252 1.00 0.78 H new ATOM 0 HB3 LYS A 77 3.775 12.923 -5.459 1.00 0.78 H new ATOM 0 HG2 LYS A 77 3.098 14.614 -3.632 1.00 1.09 H new ATOM 0 HG3 LYS A 77 3.752 15.874 -4.659 1.00 1.09 H new ATOM 0 HD2 LYS A 77 2.193 15.305 -6.471 1.00 1.04 H new ATOM 0 HD3 LYS A 77 1.648 13.872 -5.622 1.00 1.04 H new ATOM 0 HE2 LYS A 77 -0.043 15.478 -5.125 1.00 2.26 H new ATOM 0 HE3 LYS A 77 0.958 15.491 -3.686 1.00 2.26 H new ATOM 0 HZ1 LYS A 77 0.513 17.741 -4.464 1.00 3.26 H new ATOM 0 HZ2 LYS A 77 2.173 17.403 -4.582 1.00 3.26 H new ATOM 0 HZ3 LYS A 77 1.203 17.391 -5.976 1.00 3.26 H new ATOM 1173 N ASP A 78 5.182 14.573 -2.160 1.00 2.51 N ATOM 1174 CA ASP A 78 5.172 15.664 -1.139 1.00 2.44 C ATOM 1175 C ASP A 78 6.513 16.386 -1.109 1.00 2.05 C ATOM 1176 O ASP A 78 6.586 17.597 -1.050 1.00 2.02 O ATOM 1177 CB ASP A 78 4.874 15.076 0.241 1.00 2.75 C ATOM 1178 CG ASP A 78 4.574 16.212 1.222 1.00 2.88 C ATOM 1179 OD1 ASP A 78 3.656 16.970 0.957 1.00 3.96 O ATOM 1180 OD2 ASP A 78 5.269 16.305 2.220 1.00 1.92 O ATOM 0 H ASP A 78 4.832 13.673 -1.832 1.00 2.51 H new ATOM 0 HA ASP A 78 4.397 16.382 -1.406 1.00 2.44 H new ATOM 0 HB2 ASP A 78 4.024 14.396 0.183 1.00 2.75 H new ATOM 0 HB3 ASP A 78 5.725 14.493 0.592 1.00 2.75 H new ATOM 1185 N THR A 79 7.559 15.640 -1.147 1.00 1.83 N ATOM 1186 CA THR A 79 8.934 16.238 -1.121 1.00 1.55 C ATOM 1187 C THR A 79 9.490 16.307 -2.543 1.00 1.11 C ATOM 1188 O THR A 79 10.655 16.062 -2.783 1.00 1.04 O ATOM 1189 CB THR A 79 9.851 15.374 -0.239 1.00 1.87 C ATOM 1190 OG1 THR A 79 11.032 16.104 0.061 1.00 1.92 O ATOM 1191 CG2 THR A 79 10.234 14.069 -0.969 1.00 1.66 C ATOM 0 H THR A 79 7.537 14.621 -1.196 1.00 1.83 H new ATOM 0 HA THR A 79 8.887 17.246 -0.709 1.00 1.55 H new ATOM 0 HB THR A 79 9.320 15.121 0.679 1.00 1.87 H new ATOM 0 HG1 THR A 79 10.965 17.005 -0.319 1.00 1.92 H new ATOM 0 HG21 THR A 79 10.883 13.471 -0.329 1.00 1.66 H new ATOM 0 HG22 THR A 79 9.332 13.503 -1.200 1.00 1.66 H new ATOM 0 HG23 THR A 79 10.758 14.310 -1.894 1.00 1.66 H new ATOM 1199 N ASP A 80 8.658 16.648 -3.479 1.00 0.95 N ATOM 1200 CA ASP A 80 9.111 16.752 -4.898 1.00 0.58 C ATOM 1201 C ASP A 80 10.423 17.521 -4.963 1.00 0.31 C ATOM 1202 O ASP A 80 10.887 18.081 -3.990 1.00 0.49 O ATOM 1203 CB ASP A 80 8.046 17.487 -5.722 1.00 0.76 C ATOM 1204 CG ASP A 80 6.898 16.529 -6.050 1.00 1.31 C ATOM 1205 OD1 ASP A 80 7.175 15.459 -6.566 1.00 2.13 O ATOM 1206 OD2 ASP A 80 5.763 16.881 -5.777 1.00 2.00 O ATOM 0 H ASP A 80 7.673 16.862 -3.326 1.00 0.95 H new ATOM 0 HA ASP A 80 9.259 15.751 -5.303 1.00 0.58 H new ATOM 0 HB2 ASP A 80 7.669 18.345 -5.165 1.00 0.76 H new ATOM 0 HB3 ASP A 80 8.486 17.872 -6.642 1.00 0.76 H new ATOM 1211 N SER A 81 10.999 17.572 -6.120 1.00 0.21 N ATOM 1212 CA SER A 81 12.262 18.319 -6.294 1.00 0.56 C ATOM 1213 C SER A 81 11.873 19.774 -6.417 1.00 0.66 C ATOM 1214 O SER A 81 12.652 20.684 -6.229 1.00 0.93 O ATOM 1215 CB SER A 81 12.966 17.827 -7.557 1.00 0.74 C ATOM 1216 OG SER A 81 14.346 18.155 -7.482 1.00 1.78 O ATOM 0 H SER A 81 10.644 17.122 -6.964 1.00 0.21 H new ATOM 0 HA SER A 81 12.949 18.176 -5.460 1.00 0.56 H new ATOM 0 HB2 SER A 81 12.842 16.749 -7.660 1.00 0.74 H new ATOM 0 HB3 SER A 81 12.519 18.286 -8.439 1.00 0.74 H new ATOM 0 HG SER A 81 14.802 17.839 -8.290 1.00 1.78 H new ATOM 1222 N GLU A 82 10.638 19.970 -6.735 1.00 0.54 N ATOM 1223 CA GLU A 82 10.101 21.340 -6.888 1.00 0.75 C ATOM 1224 C GLU A 82 10.424 22.156 -5.628 1.00 0.79 C ATOM 1225 O GLU A 82 10.624 23.354 -5.682 1.00 0.82 O ATOM 1226 CB GLU A 82 8.583 21.220 -7.129 1.00 0.77 C ATOM 1227 CG GLU A 82 7.799 21.308 -5.811 1.00 2.02 C ATOM 1228 CD GLU A 82 6.354 20.864 -6.050 1.00 1.86 C ATOM 1229 OE1 GLU A 82 5.890 20.999 -7.170 1.00 1.10 O ATOM 1230 OE2 GLU A 82 5.734 20.398 -5.108 1.00 2.70 O ATOM 0 H GLU A 82 9.961 19.225 -6.900 1.00 0.54 H new ATOM 0 HA GLU A 82 10.553 21.860 -7.733 1.00 0.75 H new ATOM 0 HB2 GLU A 82 8.256 22.012 -7.802 1.00 0.77 H new ATOM 0 HB3 GLU A 82 8.365 20.272 -7.622 1.00 0.77 H new ATOM 0 HG2 GLU A 82 8.265 20.676 -5.055 1.00 2.02 H new ATOM 0 HG3 GLU A 82 7.819 22.329 -5.430 1.00 2.02 H new ATOM 1237 N GLU A 83 10.478 21.505 -4.506 1.00 0.80 N ATOM 1238 CA GLU A 83 10.791 22.218 -3.233 1.00 0.86 C ATOM 1239 C GLU A 83 12.229 22.742 -3.277 1.00 0.87 C ATOM 1240 O GLU A 83 12.574 23.707 -2.628 1.00 0.87 O ATOM 1241 CB GLU A 83 10.591 21.259 -2.036 1.00 0.87 C ATOM 1242 CG GLU A 83 11.854 20.419 -1.781 1.00 3.14 C ATOM 1243 CD GLU A 83 11.521 19.273 -0.822 1.00 3.32 C ATOM 1244 OE1 GLU A 83 10.946 18.298 -1.275 1.00 3.43 O ATOM 1245 OE2 GLU A 83 11.848 19.392 0.347 1.00 3.86 O ATOM 0 H GLU A 83 10.318 20.502 -4.410 1.00 0.80 H new ATOM 0 HA GLU A 83 10.117 23.066 -3.112 1.00 0.86 H new ATOM 0 HB2 GLU A 83 10.347 21.834 -1.143 1.00 0.87 H new ATOM 0 HB3 GLU A 83 9.746 20.600 -2.232 1.00 0.87 H new ATOM 0 HG2 GLU A 83 12.235 20.021 -2.722 1.00 3.14 H new ATOM 0 HG3 GLU A 83 12.640 21.044 -1.358 1.00 3.14 H new ATOM 1252 N GLU A 84 13.065 22.104 -4.042 1.00 0.88 N ATOM 1253 CA GLU A 84 14.479 22.552 -4.144 1.00 0.89 C ATOM 1254 C GLU A 84 14.554 23.769 -5.065 1.00 0.87 C ATOM 1255 O GLU A 84 15.238 24.737 -4.790 1.00 0.86 O ATOM 1256 CB GLU A 84 15.341 21.420 -4.710 1.00 0.87 C ATOM 1257 CG GLU A 84 15.535 20.342 -3.645 1.00 0.97 C ATOM 1258 CD GLU A 84 16.454 20.871 -2.543 1.00 1.56 C ATOM 1259 OE1 GLU A 84 17.656 20.726 -2.684 1.00 2.20 O ATOM 1260 OE2 GLU A 84 15.939 21.413 -1.581 1.00 2.24 O ATOM 0 H GLU A 84 12.829 21.287 -4.605 1.00 0.88 H new ATOM 0 HA GLU A 84 14.850 22.819 -3.155 1.00 0.89 H new ATOM 0 HB2 GLU A 84 14.864 20.992 -5.592 1.00 0.87 H new ATOM 0 HB3 GLU A 84 16.308 21.810 -5.028 1.00 0.87 H new ATOM 0 HG2 GLU A 84 14.572 20.056 -3.223 1.00 0.97 H new ATOM 0 HG3 GLU A 84 15.966 19.447 -4.093 1.00 0.97 H new ATOM 1267 N ILE A 85 13.841 23.725 -6.151 1.00 0.85 N ATOM 1268 CA ILE A 85 13.851 24.875 -7.096 1.00 0.80 C ATOM 1269 C ILE A 85 13.115 26.056 -6.450 1.00 0.85 C ATOM 1270 O ILE A 85 13.523 27.192 -6.569 1.00 0.82 O ATOM 1271 CB ILE A 85 13.160 24.477 -8.419 1.00 0.73 C ATOM 1272 CG1 ILE A 85 14.131 23.655 -9.281 1.00 0.67 C ATOM 1273 CG2 ILE A 85 12.738 25.744 -9.184 1.00 0.68 C ATOM 1274 CD1 ILE A 85 13.423 23.175 -10.551 1.00 0.59 C ATOM 0 H ILE A 85 13.250 22.941 -6.427 1.00 0.85 H new ATOM 0 HA ILE A 85 14.879 25.162 -7.316 1.00 0.80 H new ATOM 0 HB ILE A 85 12.277 23.878 -8.198 1.00 0.73 H new ATOM 0 HG12 ILE A 85 14.998 24.260 -9.545 1.00 0.67 H new ATOM 0 HG13 ILE A 85 14.499 22.800 -8.714 1.00 0.67 H new ATOM 0 HG21 ILE A 85 12.251 25.460 -10.117 1.00 0.68 H new ATOM 0 HG22 ILE A 85 12.045 26.323 -8.574 1.00 0.68 H new ATOM 0 HG23 ILE A 85 13.619 26.347 -9.404 1.00 0.68 H new ATOM 0 HD11 ILE A 85 14.118 22.593 -11.157 1.00 0.59 H new ATOM 0 HD12 ILE A 85 12.570 22.553 -10.279 1.00 0.59 H new ATOM 0 HD13 ILE A 85 13.077 24.036 -11.122 1.00 0.59 H new ATOM 1286 N ARG A 86 12.029 25.796 -5.774 1.00 0.94 N ATOM 1287 CA ARG A 86 11.272 26.908 -5.139 1.00 0.98 C ATOM 1288 C ARG A 86 12.111 27.533 -4.022 1.00 1.02 C ATOM 1289 O ARG A 86 12.111 28.734 -3.839 1.00 0.96 O ATOM 1290 CB ARG A 86 9.969 26.365 -4.553 1.00 1.07 C ATOM 1291 CG ARG A 86 9.165 27.515 -3.941 1.00 1.16 C ATOM 1292 CD ARG A 86 7.727 27.058 -3.692 1.00 0.86 C ATOM 1293 NE ARG A 86 6.965 28.155 -3.032 1.00 2.23 N ATOM 1294 CZ ARG A 86 5.662 28.108 -2.993 1.00 2.35 C ATOM 1295 NH1 ARG A 86 5.030 27.097 -3.526 1.00 1.14 N ATOM 1296 NH2 ARG A 86 4.993 29.069 -2.421 1.00 3.83 N ATOM 0 H ARG A 86 11.636 24.865 -5.635 1.00 0.94 H new ATOM 0 HA ARG A 86 11.048 27.667 -5.889 1.00 0.98 H new ATOM 0 HB2 ARG A 86 9.385 25.873 -5.331 1.00 1.07 H new ATOM 0 HB3 ARG A 86 10.185 25.614 -3.793 1.00 1.07 H new ATOM 0 HG2 ARG A 86 9.623 27.835 -3.005 1.00 1.16 H new ATOM 0 HG3 ARG A 86 9.173 28.375 -4.611 1.00 1.16 H new ATOM 0 HD2 ARG A 86 7.252 26.787 -4.635 1.00 0.86 H new ATOM 0 HD3 ARG A 86 7.721 26.167 -3.064 1.00 0.86 H new ATOM 0 HE ARG A 86 7.461 28.941 -2.612 1.00 2.23 H new ATOM 0 HH11 ARG A 86 5.555 26.345 -3.972 1.00 1.14 H new ATOM 0 HH12 ARG A 86 4.011 27.059 -3.496 1.00 1.14 H new ATOM 0 HH21 ARG A 86 5.488 29.857 -2.004 1.00 3.83 H new ATOM 0 HH22 ARG A 86 3.974 29.033 -2.390 1.00 3.83 H new ATOM 1310 N GLU A 87 12.820 26.736 -3.265 1.00 1.12 N ATOM 1311 CA GLU A 87 13.639 27.318 -2.165 1.00 1.16 C ATOM 1312 C GLU A 87 14.743 28.199 -2.759 1.00 1.05 C ATOM 1313 O GLU A 87 15.197 29.134 -2.132 1.00 1.01 O ATOM 1314 CB GLU A 87 14.240 26.201 -1.289 1.00 1.27 C ATOM 1315 CG GLU A 87 13.176 25.690 -0.310 1.00 1.24 C ATOM 1316 CD GLU A 87 13.790 24.631 0.608 1.00 1.84 C ATOM 1317 OE1 GLU A 87 13.937 23.505 0.168 1.00 2.46 O ATOM 1318 OE2 GLU A 87 14.101 24.968 1.740 1.00 2.01 O ATOM 0 H GLU A 87 12.867 25.721 -3.360 1.00 1.12 H new ATOM 0 HA GLU A 87 13.001 27.933 -1.530 1.00 1.16 H new ATOM 0 HB2 GLU A 87 14.595 25.383 -1.916 1.00 1.27 H new ATOM 0 HB3 GLU A 87 15.103 26.579 -0.740 1.00 1.27 H new ATOM 0 HG2 GLU A 87 12.785 26.517 0.283 1.00 1.24 H new ATOM 0 HG3 GLU A 87 12.335 25.266 -0.859 1.00 1.24 H new ATOM 1325 N ALA A 88 15.152 27.947 -3.979 1.00 1.00 N ATOM 1326 CA ALA A 88 16.182 28.828 -4.592 1.00 0.91 C ATOM 1327 C ALA A 88 15.467 30.066 -5.080 1.00 0.79 C ATOM 1328 O ALA A 88 15.919 31.176 -4.905 1.00 0.74 O ATOM 1329 CB ALA A 88 16.841 28.137 -5.778 1.00 0.90 C ATOM 0 H ALA A 88 14.821 27.181 -4.565 1.00 1.00 H new ATOM 0 HA ALA A 88 16.956 29.067 -3.863 1.00 0.91 H new ATOM 0 HB1 ALA A 88 17.591 28.797 -6.213 1.00 0.90 H new ATOM 0 HB2 ALA A 88 17.318 27.216 -5.443 1.00 0.90 H new ATOM 0 HB3 ALA A 88 16.086 27.902 -6.528 1.00 0.90 H new ATOM 1335 N PHE A 89 14.330 29.884 -5.677 1.00 0.77 N ATOM 1336 CA PHE A 89 13.578 31.061 -6.147 1.00 0.68 C ATOM 1337 C PHE A 89 13.227 31.896 -4.906 1.00 0.72 C ATOM 1338 O PHE A 89 13.166 33.108 -4.962 1.00 0.73 O ATOM 1339 CB PHE A 89 12.297 30.629 -6.877 1.00 0.72 C ATOM 1340 CG PHE A 89 12.541 30.400 -8.371 1.00 0.57 C ATOM 1341 CD1 PHE A 89 12.800 31.481 -9.235 1.00 0.36 C ATOM 1342 CD2 PHE A 89 12.501 29.098 -8.903 1.00 0.64 C ATOM 1343 CE1 PHE A 89 13.004 31.257 -10.591 1.00 0.26 C ATOM 1344 CE2 PHE A 89 12.717 28.886 -10.284 1.00 0.49 C ATOM 1345 CZ PHE A 89 12.964 29.984 -11.118 1.00 0.29 C ATOM 0 H PHE A 89 13.895 28.979 -5.857 1.00 0.77 H new ATOM 0 HA PHE A 89 14.175 31.641 -6.851 1.00 0.68 H new ATOM 0 HB2 PHE A 89 11.914 29.713 -6.427 1.00 0.72 H new ATOM 0 HB3 PHE A 89 11.530 31.393 -6.747 1.00 0.72 H new ATOM 0 HD1 PHE A 89 12.840 32.487 -8.843 1.00 0.36 H new ATOM 0 HD2 PHE A 89 12.305 28.257 -8.254 1.00 0.64 H new ATOM 0 HE1 PHE A 89 13.197 32.095 -11.244 1.00 0.26 H new ATOM 0 HE2 PHE A 89 12.692 27.886 -10.692 1.00 0.49 H new ATOM 0 HZ PHE A 89 13.123 29.833 -12.175 1.00 0.29 H new ATOM 1355 N ARG A 90 13.016 31.255 -3.776 1.00 0.73 N ATOM 1356 CA ARG A 90 12.696 32.025 -2.540 1.00 0.75 C ATOM 1357 C ARG A 90 13.839 33.000 -2.285 1.00 0.59 C ATOM 1358 O ARG A 90 13.635 34.181 -2.087 1.00 0.45 O ATOM 1359 CB ARG A 90 12.555 31.075 -1.349 1.00 0.97 C ATOM 1360 CG ARG A 90 12.060 31.858 -0.122 1.00 1.34 C ATOM 1361 CD ARG A 90 12.062 30.956 1.133 1.00 1.66 C ATOM 1362 NE ARG A 90 10.803 31.174 1.915 1.00 1.48 N ATOM 1363 CZ ARG A 90 10.372 32.378 2.187 1.00 1.61 C ATOM 1364 NH1 ARG A 90 11.097 33.423 1.897 1.00 2.24 N ATOM 1365 NH2 ARG A 90 9.224 32.534 2.787 1.00 1.56 N ATOM 0 H ARG A 90 13.052 30.242 -3.663 1.00 0.73 H new ATOM 0 HA ARG A 90 11.755 32.561 -2.666 1.00 0.75 H new ATOM 0 HB2 ARG A 90 11.855 30.275 -1.590 1.00 0.97 H new ATOM 0 HB3 ARG A 90 13.514 30.604 -1.131 1.00 0.97 H new ATOM 0 HG2 ARG A 90 12.699 32.725 0.045 1.00 1.34 H new ATOM 0 HG3 ARG A 90 11.053 32.234 -0.305 1.00 1.34 H new ATOM 0 HD2 ARG A 90 12.143 29.909 0.840 1.00 1.66 H new ATOM 0 HD3 ARG A 90 12.930 31.181 1.753 1.00 1.66 H new ATOM 0 HE ARG A 90 10.271 30.367 2.242 1.00 1.48 H new ATOM 0 HH11 ARG A 90 12.008 33.305 1.454 1.00 2.24 H new ATOM 0 HH12 ARG A 90 10.753 34.359 2.113 1.00 2.24 H new ATOM 0 HH21 ARG A 90 8.667 31.719 3.042 1.00 1.56 H new ATOM 0 HH22 ARG A 90 8.884 33.471 3.001 1.00 1.56 H new ATOM 1379 N VAL A 91 15.048 32.513 -2.321 1.00 0.64 N ATOM 1380 CA VAL A 91 16.220 33.415 -2.121 1.00 0.58 C ATOM 1381 C VAL A 91 16.066 34.581 -3.097 1.00 0.36 C ATOM 1382 O VAL A 91 16.634 35.640 -2.925 1.00 0.36 O ATOM 1383 CB VAL A 91 17.525 32.638 -2.447 1.00 0.75 C ATOM 1384 CG1 VAL A 91 18.624 33.593 -2.945 1.00 0.75 C ATOM 1385 CG2 VAL A 91 18.027 31.908 -1.190 1.00 0.94 C ATOM 0 H VAL A 91 15.277 31.532 -2.480 1.00 0.64 H new ATOM 0 HA VAL A 91 16.268 33.773 -1.092 1.00 0.58 H new ATOM 0 HB VAL A 91 17.301 31.916 -3.233 1.00 0.75 H new ATOM 0 HG11 VAL A 91 19.527 33.024 -3.166 1.00 0.75 H new ATOM 0 HG12 VAL A 91 18.284 34.100 -3.848 1.00 0.75 H new ATOM 0 HG13 VAL A 91 18.841 34.332 -2.174 1.00 0.75 H new ATOM 0 HG21 VAL A 91 18.942 31.365 -1.426 1.00 0.94 H new ATOM 0 HG22 VAL A 91 18.229 32.635 -0.403 1.00 0.94 H new ATOM 0 HG23 VAL A 91 17.266 31.206 -0.849 1.00 0.94 H new ATOM 1395 N PHE A 92 15.338 34.347 -4.156 1.00 0.29 N ATOM 1396 CA PHE A 92 15.165 35.377 -5.215 1.00 0.07 C ATOM 1397 C PHE A 92 13.807 36.073 -5.121 1.00 0.29 C ATOM 1398 O PHE A 92 13.551 37.043 -5.799 1.00 0.53 O ATOM 1399 CB PHE A 92 15.359 34.646 -6.549 1.00 0.23 C ATOM 1400 CG PHE A 92 16.824 34.663 -6.866 1.00 0.36 C ATOM 1401 CD1 PHE A 92 17.315 35.801 -7.475 1.00 0.45 C ATOM 1402 CD2 PHE A 92 17.688 33.618 -6.475 1.00 0.58 C ATOM 1403 CE1 PHE A 92 18.683 35.927 -7.726 1.00 0.74 C ATOM 1404 CE2 PHE A 92 19.062 33.752 -6.708 1.00 0.83 C ATOM 1405 CZ PHE A 92 19.558 34.906 -7.335 1.00 0.91 C ATOM 0 H PHE A 92 14.849 33.470 -4.332 1.00 0.29 H new ATOM 0 HA PHE A 92 15.892 36.182 -5.106 1.00 0.07 H new ATOM 0 HB2 PHE A 92 14.994 33.621 -6.481 1.00 0.23 H new ATOM 0 HB3 PHE A 92 14.790 35.135 -7.340 1.00 0.23 H new ATOM 0 HD1 PHE A 92 16.640 36.595 -7.758 1.00 0.45 H new ATOM 0 HD2 PHE A 92 17.296 32.729 -6.004 1.00 0.58 H new ATOM 0 HE1 PHE A 92 19.065 36.808 -8.220 1.00 0.74 H new ATOM 0 HE2 PHE A 92 19.740 32.968 -6.405 1.00 0.83 H new ATOM 0 HZ PHE A 92 20.618 35.007 -7.516 1.00 0.91 H new ATOM 1415 N ASP A 93 12.981 35.632 -4.240 1.00 0.37 N ATOM 1416 CA ASP A 93 11.652 36.285 -4.041 1.00 0.63 C ATOM 1417 C ASP A 93 11.839 37.388 -2.997 1.00 0.36 C ATOM 1418 O ASP A 93 11.242 37.380 -1.941 1.00 0.22 O ATOM 1419 CB ASP A 93 10.641 35.257 -3.524 1.00 0.94 C ATOM 1420 CG ASP A 93 9.321 35.960 -3.192 1.00 1.15 C ATOM 1421 OD1 ASP A 93 9.254 37.166 -3.368 1.00 0.34 O ATOM 1422 OD2 ASP A 93 8.400 35.281 -2.771 1.00 2.42 O ATOM 0 H ASP A 93 13.160 34.833 -3.631 1.00 0.37 H new ATOM 0 HA ASP A 93 11.280 36.695 -4.980 1.00 0.63 H new ATOM 0 HB2 ASP A 93 10.475 34.485 -4.275 1.00 0.94 H new ATOM 0 HB3 ASP A 93 11.033 34.760 -2.637 1.00 0.94 H new ATOM 1427 N LYS A 94 12.699 38.321 -3.298 1.00 0.50 N ATOM 1428 CA LYS A 94 12.996 39.441 -2.355 1.00 0.68 C ATOM 1429 C LYS A 94 11.731 40.221 -2.014 1.00 0.81 C ATOM 1430 O LYS A 94 11.680 40.945 -1.042 1.00 0.77 O ATOM 1431 CB LYS A 94 14.006 40.386 -3.001 1.00 1.11 C ATOM 1432 CG LYS A 94 15.358 39.681 -3.137 1.00 1.09 C ATOM 1433 CD LYS A 94 16.380 40.655 -3.731 1.00 1.75 C ATOM 1434 CE LYS A 94 17.719 39.939 -3.926 1.00 1.56 C ATOM 1435 NZ LYS A 94 18.184 39.388 -2.622 1.00 0.29 N ATOM 0 H LYS A 94 13.220 38.357 -4.174 1.00 0.50 H new ATOM 0 HA LYS A 94 13.402 39.019 -1.435 1.00 0.68 H new ATOM 0 HB2 LYS A 94 13.649 40.701 -3.982 1.00 1.11 H new ATOM 0 HB3 LYS A 94 14.114 41.287 -2.397 1.00 1.11 H new ATOM 0 HG2 LYS A 94 15.697 39.330 -2.163 1.00 1.09 H new ATOM 0 HG3 LYS A 94 15.261 38.803 -3.776 1.00 1.09 H new ATOM 0 HD2 LYS A 94 16.019 41.039 -4.685 1.00 1.75 H new ATOM 0 HD3 LYS A 94 16.507 41.512 -3.070 1.00 1.75 H new ATOM 0 HE2 LYS A 94 17.611 39.135 -4.654 1.00 1.56 H new ATOM 0 HE3 LYS A 94 18.459 40.633 -4.324 1.00 1.56 H new ATOM 0 HZ1 LYS A 94 19.216 39.493 -2.549 1.00 0.29 H new ATOM 0 HZ2 LYS A 94 17.727 39.905 -1.844 1.00 0.29 H new ATOM 0 HZ3 LYS A 94 17.934 38.380 -2.562 1.00 0.29 H new ATOM 1449 N ASP A 95 10.727 40.100 -2.822 1.00 1.11 N ATOM 1450 CA ASP A 95 9.464 40.863 -2.574 1.00 1.34 C ATOM 1451 C ASP A 95 8.424 39.966 -1.898 1.00 1.36 C ATOM 1452 O ASP A 95 7.299 40.369 -1.679 1.00 1.61 O ATOM 1453 CB ASP A 95 8.910 41.335 -3.918 1.00 1.88 C ATOM 1454 CG ASP A 95 9.905 42.297 -4.570 1.00 2.20 C ATOM 1455 OD1 ASP A 95 10.968 42.491 -4.005 1.00 2.34 O ATOM 1456 OD2 ASP A 95 9.588 42.820 -5.625 1.00 2.91 O ATOM 0 H ASP A 95 10.717 39.505 -3.650 1.00 1.11 H new ATOM 0 HA ASP A 95 9.677 41.711 -1.924 1.00 1.34 H new ATOM 0 HB2 ASP A 95 8.733 40.480 -4.571 1.00 1.88 H new ATOM 0 HB3 ASP A 95 7.950 41.830 -3.774 1.00 1.88 H new ATOM 1461 N GLY A 96 8.791 38.759 -1.551 1.00 1.21 N ATOM 1462 CA GLY A 96 7.822 37.845 -0.877 1.00 1.50 C ATOM 1463 C GLY A 96 6.476 37.886 -1.600 1.00 1.69 C ATOM 1464 O GLY A 96 5.466 37.464 -1.073 1.00 2.07 O ATOM 0 H GLY A 96 9.720 38.367 -1.706 1.00 1.21 H new ATOM 0 HA2 GLY A 96 8.212 36.827 -0.874 1.00 1.50 H new ATOM 0 HA3 GLY A 96 7.694 38.141 0.164 1.00 1.50 H new ATOM 1468 N ASN A 97 6.452 38.411 -2.798 1.00 1.45 N ATOM 1469 CA ASN A 97 5.163 38.501 -3.558 1.00 1.62 C ATOM 1470 C ASN A 97 5.053 37.357 -4.576 1.00 1.44 C ATOM 1471 O ASN A 97 3.991 37.106 -5.110 1.00 1.54 O ATOM 1472 CB ASN A 97 5.118 39.839 -4.297 1.00 1.64 C ATOM 1473 CG ASN A 97 3.775 39.978 -5.017 1.00 1.89 C ATOM 1474 OD1 ASN A 97 2.803 39.354 -4.639 1.00 2.86 O ATOM 1475 ND2 ASN A 97 3.677 40.778 -6.044 1.00 1.42 N ATOM 0 H ASN A 97 7.268 38.782 -3.285 1.00 1.45 H new ATOM 0 HA ASN A 97 4.332 38.424 -2.857 1.00 1.62 H new ATOM 0 HB2 ASN A 97 5.252 40.660 -3.593 1.00 1.64 H new ATOM 0 HB3 ASN A 97 5.936 39.898 -5.015 1.00 1.64 H new ATOM 0 HD21 ASN A 97 2.785 40.879 -6.529 1.00 1.42 H new ATOM 0 HD22 ASN A 97 4.492 41.302 -6.362 1.00 1.42 H new ATOM 1482 N GLY A 98 6.122 36.647 -4.848 1.00 1.22 N ATOM 1483 CA GLY A 98 6.040 35.519 -5.824 1.00 1.15 C ATOM 1484 C GLY A 98 6.330 36.020 -7.237 1.00 0.88 C ATOM 1485 O GLY A 98 5.972 35.392 -8.213 1.00 0.80 O ATOM 0 H GLY A 98 7.043 36.800 -4.437 1.00 1.22 H new ATOM 0 HA2 GLY A 98 6.754 34.741 -5.553 1.00 1.15 H new ATOM 0 HA3 GLY A 98 5.048 35.068 -5.787 1.00 1.15 H new ATOM 1489 N TYR A 99 6.967 37.148 -7.351 1.00 0.82 N ATOM 1490 CA TYR A 99 7.290 37.717 -8.703 1.00 0.57 C ATOM 1491 C TYR A 99 8.737 38.221 -8.720 1.00 0.53 C ATOM 1492 O TYR A 99 9.166 38.911 -7.814 1.00 0.55 O ATOM 1493 CB TYR A 99 6.365 38.904 -8.991 1.00 0.58 C ATOM 1494 CG TYR A 99 4.962 38.422 -9.281 1.00 0.53 C ATOM 1495 CD1 TYR A 99 4.157 37.944 -8.241 1.00 1.20 C ATOM 1496 CD2 TYR A 99 4.462 38.466 -10.587 1.00 0.65 C ATOM 1497 CE1 TYR A 99 2.855 37.506 -8.507 1.00 1.12 C ATOM 1498 CE2 TYR A 99 3.160 38.030 -10.854 1.00 0.73 C ATOM 1499 CZ TYR A 99 2.356 37.550 -9.815 1.00 0.46 C ATOM 1500 OH TYR A 99 1.072 37.121 -10.076 1.00 0.45 O ATOM 0 H TYR A 99 7.284 37.712 -6.563 1.00 0.82 H new ATOM 0 HA TYR A 99 7.155 36.940 -9.455 1.00 0.57 H new ATOM 0 HB2 TYR A 99 6.354 39.580 -8.136 1.00 0.58 H new ATOM 0 HB3 TYR A 99 6.744 39.471 -9.841 1.00 0.58 H new ATOM 0 HD1 TYR A 99 4.541 37.913 -7.232 1.00 1.20 H new ATOM 0 HD2 TYR A 99 5.082 38.837 -11.390 1.00 0.65 H new ATOM 0 HE1 TYR A 99 2.235 37.134 -7.704 1.00 1.12 H new ATOM 0 HE2 TYR A 99 2.775 38.064 -11.863 1.00 0.73 H new ATOM 0 HH TYR A 99 0.882 37.219 -11.032 1.00 0.45 H new ATOM 1510 N ILE A 100 9.485 37.930 -9.760 1.00 0.46 N ATOM 1511 CA ILE A 100 10.897 38.454 -9.840 1.00 0.40 C ATOM 1512 C ILE A 100 11.190 38.867 -11.285 1.00 0.34 C ATOM 1513 O ILE A 100 10.457 38.531 -12.195 1.00 0.34 O ATOM 1514 CB ILE A 100 11.939 37.409 -9.388 1.00 0.32 C ATOM 1515 CG1 ILE A 100 11.772 36.110 -10.189 1.00 0.30 C ATOM 1516 CG2 ILE A 100 11.798 37.120 -7.885 1.00 0.35 C ATOM 1517 CD1 ILE A 100 12.813 35.074 -9.739 1.00 0.23 C ATOM 0 H ILE A 100 9.187 37.359 -10.551 1.00 0.46 H new ATOM 0 HA ILE A 100 10.976 39.306 -9.165 1.00 0.40 H new ATOM 0 HB ILE A 100 12.934 37.815 -9.573 1.00 0.32 H new ATOM 0 HG12 ILE A 100 10.767 35.713 -10.047 1.00 0.30 H new ATOM 0 HG13 ILE A 100 11.886 36.313 -11.254 1.00 0.30 H new ATOM 0 HG21 ILE A 100 12.541 36.381 -7.585 1.00 0.35 H new ATOM 0 HG22 ILE A 100 11.953 38.040 -7.321 1.00 0.35 H new ATOM 0 HG23 ILE A 100 10.799 36.734 -7.681 1.00 0.35 H new ATOM 0 HD11 ILE A 100 12.685 34.157 -10.314 1.00 0.23 H new ATOM 0 HD12 ILE A 100 13.815 35.470 -9.905 1.00 0.23 H new ATOM 0 HD13 ILE A 100 12.678 34.860 -8.679 1.00 0.23 H new ATOM 1529 N SER A 101 12.256 39.584 -11.506 1.00 0.33 N ATOM 1530 CA SER A 101 12.594 40.006 -12.897 1.00 0.30 C ATOM 1531 C SER A 101 13.166 38.811 -13.664 1.00 0.25 C ATOM 1532 O SER A 101 13.921 38.020 -13.132 1.00 0.25 O ATOM 1533 CB SER A 101 13.622 41.139 -12.855 1.00 0.37 C ATOM 1534 OG SER A 101 14.816 40.670 -12.245 1.00 0.44 O ATOM 0 H SER A 101 12.908 39.896 -10.786 1.00 0.33 H new ATOM 0 HA SER A 101 11.695 40.361 -13.401 1.00 0.30 H new ATOM 0 HB2 SER A 101 13.831 41.493 -13.865 1.00 0.37 H new ATOM 0 HB3 SER A 101 13.224 41.986 -12.296 1.00 0.37 H new ATOM 0 HG SER A 101 15.476 41.394 -12.219 1.00 0.44 H new ATOM 1540 N ALA A 102 12.797 38.670 -14.912 1.00 0.21 N ATOM 1541 CA ALA A 102 13.297 37.523 -15.729 1.00 0.20 C ATOM 1542 C ALA A 102 14.787 37.300 -15.488 1.00 0.23 C ATOM 1543 O ALA A 102 15.253 36.184 -15.474 1.00 0.28 O ATOM 1544 CB ALA A 102 13.077 37.829 -17.209 1.00 0.20 C ATOM 0 H ALA A 102 12.167 39.304 -15.403 1.00 0.21 H new ATOM 0 HA ALA A 102 12.752 36.624 -15.440 1.00 0.20 H new ATOM 0 HB1 ALA A 102 13.440 36.996 -17.811 1.00 0.20 H new ATOM 0 HB2 ALA A 102 12.013 37.975 -17.396 1.00 0.20 H new ATOM 0 HB3 ALA A 102 13.621 38.735 -17.478 1.00 0.20 H new ATOM 1550 N ALA A 103 15.540 38.342 -15.298 1.00 0.22 N ATOM 1551 CA ALA A 103 16.996 38.152 -15.057 1.00 0.27 C ATOM 1552 C ALA A 103 17.178 37.296 -13.814 1.00 0.23 C ATOM 1553 O ALA A 103 17.782 36.244 -13.846 1.00 0.23 O ATOM 1554 CB ALA A 103 17.675 39.510 -14.859 1.00 0.35 C ATOM 0 H ALA A 103 15.216 39.309 -15.299 1.00 0.22 H new ATOM 0 HA ALA A 103 17.450 37.658 -15.916 1.00 0.27 H new ATOM 0 HB1 ALA A 103 18.740 39.362 -14.683 1.00 0.35 H new ATOM 0 HB2 ALA A 103 17.536 40.120 -15.752 1.00 0.35 H new ATOM 0 HB3 ALA A 103 17.233 40.016 -14.001 1.00 0.35 H new ATOM 1560 N GLU A 104 16.633 37.736 -12.726 1.00 0.25 N ATOM 1561 CA GLU A 104 16.724 36.964 -11.458 1.00 0.25 C ATOM 1562 C GLU A 104 16.147 35.562 -11.690 1.00 0.17 C ATOM 1563 O GLU A 104 16.566 34.599 -11.078 1.00 0.16 O ATOM 1564 CB GLU A 104 15.903 37.707 -10.400 1.00 0.33 C ATOM 1565 CG GLU A 104 16.765 38.783 -9.729 1.00 0.46 C ATOM 1566 CD GLU A 104 15.872 39.718 -8.910 1.00 0.34 C ATOM 1567 OE1 GLU A 104 14.665 39.632 -9.055 1.00 0.74 O ATOM 1568 OE2 GLU A 104 16.414 40.507 -8.152 1.00 0.76 O ATOM 0 H GLU A 104 16.118 38.613 -12.655 1.00 0.25 H new ATOM 0 HA GLU A 104 17.758 36.868 -11.126 1.00 0.25 H new ATOM 0 HB2 GLU A 104 15.029 38.165 -10.862 1.00 0.33 H new ATOM 0 HB3 GLU A 104 15.537 37.004 -9.652 1.00 0.33 H new ATOM 0 HG2 GLU A 104 17.510 38.317 -9.084 1.00 0.46 H new ATOM 0 HG3 GLU A 104 17.308 39.351 -10.484 1.00 0.46 H new ATOM 1575 N LEU A 105 15.195 35.439 -12.575 1.00 0.15 N ATOM 1576 CA LEU A 105 14.601 34.101 -12.851 1.00 0.13 C ATOM 1577 C LEU A 105 15.619 33.263 -13.614 1.00 0.11 C ATOM 1578 O LEU A 105 15.886 32.126 -13.271 1.00 0.11 O ATOM 1579 CB LEU A 105 13.333 34.269 -13.700 1.00 0.14 C ATOM 1580 CG LEU A 105 12.606 32.893 -13.892 1.00 0.19 C ATOM 1581 CD1 LEU A 105 11.229 32.838 -13.191 1.00 0.15 C ATOM 1582 CD2 LEU A 105 12.381 32.621 -15.376 1.00 0.28 C ATOM 0 H LEU A 105 14.803 36.208 -13.119 1.00 0.15 H new ATOM 0 HA LEU A 105 14.341 33.608 -11.914 1.00 0.13 H new ATOM 0 HB2 LEU A 105 12.659 34.978 -13.219 1.00 0.14 H new ATOM 0 HB3 LEU A 105 13.594 34.687 -14.672 1.00 0.14 H new ATOM 0 HG LEU A 105 13.256 32.142 -13.443 1.00 0.19 H new ATOM 0 HD11 LEU A 105 10.774 31.862 -13.359 1.00 0.15 H new ATOM 0 HD12 LEU A 105 11.359 32.998 -12.121 1.00 0.15 H new ATOM 0 HD13 LEU A 105 10.582 33.615 -13.598 1.00 0.15 H new ATOM 0 HD21 LEU A 105 11.876 31.663 -15.498 1.00 0.28 H new ATOM 0 HD22 LEU A 105 11.765 33.413 -15.802 1.00 0.28 H new ATOM 0 HD23 LEU A 105 13.342 32.592 -15.890 1.00 0.28 H new ATOM 1594 N ARG A 106 16.214 33.819 -14.628 1.00 0.16 N ATOM 1595 CA ARG A 106 17.237 33.053 -15.383 1.00 0.23 C ATOM 1596 C ARG A 106 18.367 32.745 -14.407 1.00 0.23 C ATOM 1597 O ARG A 106 18.905 31.658 -14.378 1.00 0.27 O ATOM 1598 CB ARG A 106 17.775 33.899 -16.550 1.00 0.32 C ATOM 1599 CG ARG A 106 16.828 33.807 -17.756 1.00 0.57 C ATOM 1600 CD ARG A 106 17.451 34.519 -18.966 1.00 0.36 C ATOM 1601 NE ARG A 106 16.370 35.011 -19.868 1.00 1.85 N ATOM 1602 CZ ARG A 106 16.641 35.900 -20.786 1.00 2.50 C ATOM 1603 NH1 ARG A 106 17.858 36.353 -20.914 1.00 2.27 N ATOM 1604 NH2 ARG A 106 15.696 36.340 -21.572 1.00 3.81 N ATOM 0 H ARG A 106 16.037 34.765 -14.965 1.00 0.16 H new ATOM 0 HA ARG A 106 16.812 32.138 -15.796 1.00 0.23 H new ATOM 0 HB2 ARG A 106 17.877 34.938 -16.238 1.00 0.32 H new ATOM 0 HB3 ARG A 106 18.769 33.552 -16.832 1.00 0.32 H new ATOM 0 HG2 ARG A 106 16.634 32.762 -17.998 1.00 0.57 H new ATOM 0 HG3 ARG A 106 15.868 34.261 -17.511 1.00 0.57 H new ATOM 0 HD2 ARG A 106 18.068 35.353 -18.632 1.00 0.36 H new ATOM 0 HD3 ARG A 106 18.106 33.835 -19.506 1.00 0.36 H new ATOM 0 HE ARG A 106 15.420 34.654 -19.768 1.00 1.85 H new ATOM 0 HH11 ARG A 106 18.596 36.013 -20.298 1.00 2.27 H new ATOM 0 HH12 ARG A 106 18.071 37.047 -21.630 1.00 2.27 H new ATOM 0 HH21 ARG A 106 14.744 35.990 -21.470 1.00 3.81 H new ATOM 0 HH22 ARG A 106 15.910 37.034 -22.288 1.00 3.81 H new ATOM 1618 N HIS A 107 18.709 33.707 -13.597 1.00 0.24 N ATOM 1619 CA HIS A 107 19.788 33.514 -12.599 1.00 0.25 C ATOM 1620 C HIS A 107 19.408 32.384 -11.638 1.00 0.21 C ATOM 1621 O HIS A 107 20.214 31.529 -11.328 1.00 0.22 O ATOM 1622 CB HIS A 107 19.983 34.818 -11.819 1.00 0.25 C ATOM 1623 CG HIS A 107 21.181 34.674 -10.945 1.00 0.54 C ATOM 1624 ND1 HIS A 107 22.416 35.221 -11.251 1.00 1.06 N ATOM 1625 CD2 HIS A 107 21.337 34.026 -9.763 1.00 0.84 C ATOM 1626 CE1 HIS A 107 23.260 34.888 -10.257 1.00 1.20 C ATOM 1627 NE2 HIS A 107 22.649 34.155 -9.320 1.00 1.12 N ATOM 0 H HIS A 107 18.278 34.631 -13.587 1.00 0.24 H new ATOM 0 HA HIS A 107 20.716 33.248 -13.106 1.00 0.25 H new ATOM 0 HB2 HIS A 107 20.114 35.654 -12.506 1.00 0.25 H new ATOM 0 HB3 HIS A 107 19.100 35.035 -11.218 1.00 0.25 H new ATOM 0 HD1 HIS A 107 22.644 35.774 -12.077 1.00 1.06 H new ATOM 0 HD2 HIS A 107 20.557 33.489 -9.243 1.00 0.84 H new ATOM 0 HE1 HIS A 107 24.300 35.176 -10.221 1.00 1.20 H new ATOM 1635 N VAL A 108 18.186 32.355 -11.167 1.00 0.19 N ATOM 1636 CA VAL A 108 17.783 31.260 -10.244 1.00 0.19 C ATOM 1637 C VAL A 108 17.991 29.922 -10.953 1.00 0.18 C ATOM 1638 O VAL A 108 18.337 28.929 -10.347 1.00 0.15 O ATOM 1639 CB VAL A 108 16.291 31.384 -9.877 1.00 0.22 C ATOM 1640 CG1 VAL A 108 15.808 30.070 -9.193 1.00 0.19 C ATOM 1641 CG2 VAL A 108 16.099 32.575 -8.921 1.00 0.42 C ATOM 0 H VAL A 108 17.459 33.037 -11.382 1.00 0.19 H new ATOM 0 HA VAL A 108 18.384 31.323 -9.337 1.00 0.19 H new ATOM 0 HB VAL A 108 15.705 31.549 -10.781 1.00 0.22 H new ATOM 0 HG11 VAL A 108 14.753 30.161 -8.935 1.00 0.19 H new ATOM 0 HG12 VAL A 108 15.943 29.233 -9.877 1.00 0.19 H new ATOM 0 HG13 VAL A 108 16.389 29.896 -8.288 1.00 0.19 H new ATOM 0 HG21 VAL A 108 15.045 32.665 -8.660 1.00 0.42 H new ATOM 0 HG22 VAL A 108 16.685 32.413 -8.016 1.00 0.42 H new ATOM 0 HG23 VAL A 108 16.431 33.491 -9.409 1.00 0.42 H new ATOM 1651 N MET A 109 17.737 29.884 -12.235 1.00 0.21 N ATOM 1652 CA MET A 109 17.866 28.602 -12.980 1.00 0.23 C ATOM 1653 C MET A 109 19.346 28.280 -13.287 1.00 0.27 C ATOM 1654 O MET A 109 19.727 27.127 -13.333 1.00 0.29 O ATOM 1655 CB MET A 109 17.054 28.689 -14.285 1.00 0.17 C ATOM 1656 CG MET A 109 15.589 29.029 -13.964 1.00 0.16 C ATOM 1657 SD MET A 109 14.800 29.727 -15.440 1.00 0.19 S ATOM 1658 CE MET A 109 13.914 28.241 -15.974 1.00 0.40 C ATOM 0 H MET A 109 17.446 30.685 -12.795 1.00 0.21 H new ATOM 0 HA MET A 109 17.475 27.795 -12.360 1.00 0.23 H new ATOM 0 HB2 MET A 109 17.479 29.451 -14.939 1.00 0.17 H new ATOM 0 HB3 MET A 109 17.108 27.742 -14.822 1.00 0.17 H new ATOM 0 HG2 MET A 109 15.058 28.133 -13.642 1.00 0.16 H new ATOM 0 HG3 MET A 109 15.541 29.741 -13.140 1.00 0.16 H new ATOM 0 HE1 MET A 109 13.368 28.453 -16.893 1.00 0.40 H new ATOM 0 HE2 MET A 109 14.627 27.437 -16.153 1.00 0.40 H new ATOM 0 HE3 MET A 109 13.212 27.937 -15.198 1.00 0.40 H new ATOM 1668 N THR A 110 20.183 29.271 -13.520 1.00 0.30 N ATOM 1669 CA THR A 110 21.609 28.989 -13.840 1.00 0.37 C ATOM 1670 C THR A 110 22.439 28.825 -12.551 1.00 0.49 C ATOM 1671 O THR A 110 23.266 27.941 -12.451 1.00 0.54 O ATOM 1672 CB THR A 110 22.143 30.169 -14.691 1.00 0.42 C ATOM 1673 OG1 THR A 110 21.083 31.078 -14.931 1.00 0.40 O ATOM 1674 CG2 THR A 110 22.673 29.669 -16.038 1.00 0.40 C ATOM 0 H THR A 110 19.932 30.259 -13.500 1.00 0.30 H new ATOM 0 HA THR A 110 21.692 28.055 -14.395 1.00 0.37 H new ATOM 0 HB THR A 110 22.954 30.654 -14.148 1.00 0.42 H new ATOM 0 HG1 THR A 110 21.411 31.829 -15.468 1.00 0.40 H new ATOM 0 HG21 THR A 110 23.043 30.513 -16.620 1.00 0.40 H new ATOM 0 HG22 THR A 110 23.484 28.961 -15.870 1.00 0.40 H new ATOM 0 HG23 THR A 110 21.869 29.176 -16.585 1.00 0.40 H new ATOM 1682 N ASN A 111 22.248 29.678 -11.582 1.00 0.55 N ATOM 1683 CA ASN A 111 23.056 29.567 -10.332 1.00 0.69 C ATOM 1684 C ASN A 111 22.758 28.246 -9.630 1.00 0.70 C ATOM 1685 O ASN A 111 23.569 27.727 -8.887 1.00 0.77 O ATOM 1686 CB ASN A 111 22.725 30.732 -9.395 1.00 0.79 C ATOM 1687 CG ASN A 111 23.768 30.800 -8.279 1.00 0.85 C ATOM 1688 OD1 ASN A 111 23.898 29.879 -7.494 1.00 1.06 O ATOM 1689 ND2 ASN A 111 24.526 31.859 -8.173 1.00 1.33 N ATOM 0 H ASN A 111 21.573 30.442 -11.600 1.00 0.55 H new ATOM 0 HA ASN A 111 24.114 29.601 -10.592 1.00 0.69 H new ATOM 0 HB2 ASN A 111 22.712 31.669 -9.952 1.00 0.79 H new ATOM 0 HB3 ASN A 111 21.730 30.600 -8.970 1.00 0.79 H new ATOM 0 HD21 ASN A 111 25.226 31.913 -7.433 1.00 1.33 H new ATOM 0 HD22 ASN A 111 24.418 32.631 -8.830 1.00 1.33 H new ATOM 1696 N LEU A 112 21.604 27.705 -9.854 1.00 0.66 N ATOM 1697 CA LEU A 112 21.244 26.418 -9.190 1.00 0.71 C ATOM 1698 C LEU A 112 22.237 25.330 -9.588 1.00 0.76 C ATOM 1699 O LEU A 112 22.474 24.385 -8.862 1.00 0.86 O ATOM 1700 CB LEU A 112 19.815 26.009 -9.601 1.00 0.66 C ATOM 1701 CG LEU A 112 18.797 26.577 -8.599 1.00 0.65 C ATOM 1702 CD1 LEU A 112 17.378 26.350 -9.136 1.00 0.57 C ATOM 1703 CD2 LEU A 112 18.964 25.903 -7.214 1.00 0.82 C ATOM 0 H LEU A 112 20.888 28.093 -10.468 1.00 0.66 H new ATOM 0 HA LEU A 112 21.282 26.547 -8.108 1.00 0.71 H new ATOM 0 HB2 LEU A 112 19.596 26.378 -10.603 1.00 0.66 H new ATOM 0 HB3 LEU A 112 19.735 24.923 -9.637 1.00 0.66 H new ATOM 0 HG LEU A 112 18.971 27.646 -8.478 1.00 0.65 H new ATOM 0 HD11 LEU A 112 16.653 26.751 -8.428 1.00 0.57 H new ATOM 0 HD12 LEU A 112 17.267 26.855 -10.095 1.00 0.57 H new ATOM 0 HD13 LEU A 112 17.205 25.282 -9.266 1.00 0.57 H new ATOM 0 HD21 LEU A 112 18.235 26.317 -6.517 1.00 0.82 H new ATOM 0 HD22 LEU A 112 18.804 24.829 -7.310 1.00 0.82 H new ATOM 0 HD23 LEU A 112 19.970 26.088 -6.839 1.00 0.82 H new ATOM 1715 N GLY A 113 22.809 25.466 -10.730 1.00 0.71 N ATOM 1716 CA GLY A 113 23.797 24.456 -11.215 1.00 0.76 C ATOM 1717 C GLY A 113 23.071 23.385 -12.029 1.00 0.66 C ATOM 1718 O GLY A 113 23.479 22.243 -12.079 1.00 0.58 O ATOM 0 H GLY A 113 22.641 26.242 -11.370 1.00 0.71 H new ATOM 0 HA2 GLY A 113 24.558 24.940 -11.827 1.00 0.76 H new ATOM 0 HA3 GLY A 113 24.311 23.999 -10.370 1.00 0.76 H new ATOM 1722 N GLU A 114 21.994 23.750 -12.667 1.00 0.67 N ATOM 1723 CA GLU A 114 21.234 22.769 -13.478 1.00 0.60 C ATOM 1724 C GLU A 114 21.941 22.584 -14.835 1.00 0.67 C ATOM 1725 O GLU A 114 22.510 23.517 -15.367 1.00 0.77 O ATOM 1726 CB GLU A 114 19.812 23.313 -13.699 1.00 0.67 C ATOM 1727 CG GLU A 114 19.028 23.254 -12.386 1.00 0.61 C ATOM 1728 CD GLU A 114 17.718 24.028 -12.541 1.00 1.74 C ATOM 1729 OE1 GLU A 114 16.812 23.502 -13.167 1.00 1.82 O ATOM 1730 OE2 GLU A 114 17.641 25.137 -12.035 1.00 2.79 O ATOM 0 H GLU A 114 21.608 24.694 -12.659 1.00 0.67 H new ATOM 0 HA GLU A 114 21.183 21.808 -12.966 1.00 0.60 H new ATOM 0 HB2 GLU A 114 19.857 24.340 -14.061 1.00 0.67 H new ATOM 0 HB3 GLU A 114 19.303 22.727 -14.464 1.00 0.67 H new ATOM 0 HG2 GLU A 114 18.821 22.218 -12.119 1.00 0.61 H new ATOM 0 HG3 GLU A 114 19.621 23.679 -11.576 1.00 0.61 H new ATOM 1737 N LYS A 115 21.916 21.401 -15.410 1.00 0.65 N ATOM 1738 CA LYS A 115 22.595 21.202 -16.723 1.00 0.72 C ATOM 1739 C LYS A 115 21.690 21.735 -17.823 1.00 0.66 C ATOM 1740 O LYS A 115 21.535 21.148 -18.876 1.00 0.66 O ATOM 1741 CB LYS A 115 22.847 19.718 -16.949 1.00 0.79 C ATOM 1742 CG LYS A 115 24.064 19.262 -16.140 1.00 0.91 C ATOM 1743 CD LYS A 115 24.120 17.734 -16.117 1.00 0.71 C ATOM 1744 CE LYS A 115 25.230 17.278 -15.170 1.00 1.34 C ATOM 1745 NZ LYS A 115 26.557 17.577 -15.775 1.00 2.62 N ATOM 0 H LYS A 115 21.457 20.575 -15.026 1.00 0.65 H new ATOM 0 HA LYS A 115 23.548 21.731 -16.732 1.00 0.72 H new ATOM 0 HB2 LYS A 115 21.969 19.143 -16.655 1.00 0.79 H new ATOM 0 HB3 LYS A 115 23.013 19.527 -18.009 1.00 0.79 H new ATOM 0 HG2 LYS A 115 24.977 19.663 -16.580 1.00 0.91 H new ATOM 0 HG3 LYS A 115 24.003 19.649 -15.123 1.00 0.91 H new ATOM 0 HD2 LYS A 115 23.161 17.329 -15.792 1.00 0.71 H new ATOM 0 HD3 LYS A 115 24.304 17.351 -17.121 1.00 0.71 H new ATOM 0 HE2 LYS A 115 25.134 17.785 -14.210 1.00 1.34 H new ATOM 0 HE3 LYS A 115 25.140 16.209 -14.976 1.00 1.34 H new ATOM 0 HZ1 LYS A 115 27.307 17.147 -15.197 1.00 2.62 H new ATOM 0 HZ2 LYS A 115 26.595 17.186 -16.738 1.00 2.62 H new ATOM 0 HZ3 LYS A 115 26.697 18.607 -15.813 1.00 2.62 H new ATOM 1759 N LEU A 116 21.108 22.852 -17.568 1.00 0.61 N ATOM 1760 CA LEU A 116 20.200 23.498 -18.565 1.00 0.55 C ATOM 1761 C LEU A 116 21.029 24.374 -19.508 1.00 0.54 C ATOM 1762 O LEU A 116 21.934 25.075 -19.096 1.00 0.60 O ATOM 1763 CB LEU A 116 19.087 24.295 -17.820 1.00 0.49 C ATOM 1764 CG LEU A 116 19.402 25.791 -17.793 1.00 2.34 C ATOM 1765 CD1 LEU A 116 19.201 26.408 -19.201 1.00 3.27 C ATOM 1766 CD2 LEU A 116 18.487 26.474 -16.769 1.00 3.19 C ATOM 0 H LEU A 116 21.216 23.368 -16.695 1.00 0.61 H new ATOM 0 HA LEU A 116 19.699 22.747 -19.175 1.00 0.55 H new ATOM 0 HB2 LEU A 116 18.128 24.131 -18.312 1.00 0.49 H new ATOM 0 HB3 LEU A 116 18.990 23.923 -16.800 1.00 0.49 H new ATOM 0 HG LEU A 116 20.442 25.942 -17.505 1.00 2.34 H new ATOM 0 HD11 LEU A 116 19.429 27.473 -19.167 1.00 3.27 H new ATOM 0 HD12 LEU A 116 19.866 25.917 -19.912 1.00 3.27 H new ATOM 0 HD13 LEU A 116 18.167 26.268 -19.515 1.00 3.27 H new ATOM 0 HD21 LEU A 116 18.704 27.542 -16.742 1.00 3.19 H new ATOM 0 HD22 LEU A 116 17.446 26.322 -17.053 1.00 3.19 H new ATOM 0 HD23 LEU A 116 18.660 26.044 -15.783 1.00 3.19 H new ATOM 1778 N THR A 117 20.685 24.366 -20.773 1.00 0.46 N ATOM 1779 CA THR A 117 21.396 25.223 -21.766 1.00 0.45 C ATOM 1780 C THR A 117 20.497 26.421 -22.078 1.00 0.36 C ATOM 1781 O THR A 117 19.289 26.309 -22.106 1.00 0.34 O ATOM 1782 CB THR A 117 21.651 24.435 -23.048 1.00 0.45 C ATOM 1783 OG1 THR A 117 20.413 23.967 -23.569 1.00 0.42 O ATOM 1784 CG2 THR A 117 22.564 23.246 -22.752 1.00 0.57 C ATOM 0 H THR A 117 19.934 23.795 -21.161 1.00 0.46 H new ATOM 0 HA THR A 117 22.354 25.551 -21.362 1.00 0.45 H new ATOM 0 HB THR A 117 22.133 25.083 -23.780 1.00 0.45 H new ATOM 0 HG1 THR A 117 20.575 23.462 -24.393 1.00 0.42 H new ATOM 0 HG21 THR A 117 22.743 22.687 -23.671 1.00 0.57 H new ATOM 0 HG22 THR A 117 23.513 23.606 -22.356 1.00 0.57 H new ATOM 0 HG23 THR A 117 22.088 22.596 -22.018 1.00 0.57 H new ATOM 1792 N ASP A 118 21.067 27.569 -22.296 1.00 0.42 N ATOM 1793 CA ASP A 118 20.229 28.769 -22.584 1.00 0.45 C ATOM 1794 C ASP A 118 19.181 28.431 -23.648 1.00 0.38 C ATOM 1795 O ASP A 118 18.141 29.053 -23.725 1.00 0.46 O ATOM 1796 CB ASP A 118 21.115 29.908 -23.090 1.00 0.66 C ATOM 1797 CG ASP A 118 22.236 30.170 -22.084 1.00 0.74 C ATOM 1798 OD1 ASP A 118 22.001 29.975 -20.904 1.00 0.68 O ATOM 1799 OD2 ASP A 118 23.310 30.563 -22.512 1.00 1.59 O ATOM 0 H ASP A 118 22.074 27.732 -22.288 1.00 0.42 H new ATOM 0 HA ASP A 118 19.726 29.078 -21.667 1.00 0.45 H new ATOM 0 HB2 ASP A 118 21.537 29.650 -24.061 1.00 0.66 H new ATOM 0 HB3 ASP A 118 20.520 30.810 -23.230 1.00 0.66 H new ATOM 1804 N GLU A 119 19.448 27.455 -24.468 1.00 0.28 N ATOM 1805 CA GLU A 119 18.466 27.089 -25.529 1.00 0.34 C ATOM 1806 C GLU A 119 17.214 26.474 -24.900 1.00 0.34 C ATOM 1807 O GLU A 119 16.102 26.821 -25.245 1.00 0.52 O ATOM 1808 CB GLU A 119 19.097 26.080 -26.491 1.00 0.31 C ATOM 1809 CG GLU A 119 20.167 26.774 -27.337 1.00 0.25 C ATOM 1810 CD GLU A 119 21.348 27.168 -26.449 1.00 0.88 C ATOM 1811 OE1 GLU A 119 22.148 26.298 -26.140 1.00 1.14 O ATOM 1812 OE2 GLU A 119 21.436 28.332 -26.095 1.00 2.02 O ATOM 0 H GLU A 119 20.301 26.895 -24.451 1.00 0.28 H new ATOM 0 HA GLU A 119 18.187 27.990 -26.075 1.00 0.34 H new ATOM 0 HB2 GLU A 119 19.540 25.257 -25.931 1.00 0.31 H new ATOM 0 HB3 GLU A 119 18.331 25.650 -27.137 1.00 0.31 H new ATOM 0 HG2 GLU A 119 20.503 26.109 -28.133 1.00 0.25 H new ATOM 0 HG3 GLU A 119 19.748 27.659 -27.816 1.00 0.25 H new ATOM 1819 N GLU A 120 17.379 25.554 -23.988 1.00 0.20 N ATOM 1820 CA GLU A 120 16.190 24.915 -23.356 1.00 0.29 C ATOM 1821 C GLU A 120 15.324 25.979 -22.674 1.00 0.32 C ATOM 1822 O GLU A 120 14.118 25.991 -22.817 1.00 0.35 O ATOM 1823 CB GLU A 120 16.650 23.873 -22.328 1.00 0.30 C ATOM 1824 CG GLU A 120 17.090 22.596 -23.050 1.00 0.36 C ATOM 1825 CD GLU A 120 17.735 21.637 -22.047 1.00 0.41 C ATOM 1826 OE1 GLU A 120 18.925 21.769 -21.812 1.00 0.66 O ATOM 1827 OE2 GLU A 120 17.026 20.789 -21.531 1.00 0.55 O ATOM 0 H GLU A 120 18.283 25.218 -23.654 1.00 0.20 H new ATOM 0 HA GLU A 120 15.597 24.420 -24.126 1.00 0.29 H new ATOM 0 HB2 GLU A 120 17.475 24.271 -21.737 1.00 0.30 H new ATOM 0 HB3 GLU A 120 15.839 23.649 -21.635 1.00 0.30 H new ATOM 0 HG2 GLU A 120 16.232 22.120 -23.524 1.00 0.36 H new ATOM 0 HG3 GLU A 120 17.797 22.839 -23.843 1.00 0.36 H new ATOM 1834 N VAL A 121 15.923 26.873 -21.940 1.00 0.34 N ATOM 1835 CA VAL A 121 15.125 27.933 -21.253 1.00 0.40 C ATOM 1836 C VAL A 121 14.603 28.927 -22.297 1.00 0.31 C ATOM 1837 O VAL A 121 13.495 29.414 -22.201 1.00 0.27 O ATOM 1838 CB VAL A 121 16.012 28.631 -20.203 1.00 0.58 C ATOM 1839 CG1 VAL A 121 15.498 30.047 -19.906 1.00 0.35 C ATOM 1840 CG2 VAL A 121 15.980 27.817 -18.900 1.00 0.90 C ATOM 0 H VAL A 121 16.930 26.918 -21.784 1.00 0.34 H new ATOM 0 HA VAL A 121 14.268 27.496 -20.741 1.00 0.40 H new ATOM 0 HB VAL A 121 17.027 28.697 -20.596 1.00 0.58 H new ATOM 0 HG11 VAL A 121 16.140 30.519 -19.162 1.00 0.35 H new ATOM 0 HG12 VAL A 121 15.509 30.638 -20.822 1.00 0.35 H new ATOM 0 HG13 VAL A 121 14.479 29.991 -19.522 1.00 0.35 H new ATOM 0 HG21 VAL A 121 16.605 28.304 -18.151 1.00 0.90 H new ATOM 0 HG22 VAL A 121 14.955 27.757 -18.534 1.00 0.90 H new ATOM 0 HG23 VAL A 121 16.357 26.812 -19.089 1.00 0.90 H new ATOM 1850 N ASP A 122 15.383 29.219 -23.290 1.00 0.32 N ATOM 1851 CA ASP A 122 14.917 30.175 -24.338 1.00 0.29 C ATOM 1852 C ASP A 122 13.545 29.726 -24.852 1.00 0.21 C ATOM 1853 O ASP A 122 12.684 30.536 -25.136 1.00 0.20 O ATOM 1854 CB ASP A 122 15.919 30.205 -25.496 1.00 0.36 C ATOM 1855 CG ASP A 122 17.138 31.044 -25.100 1.00 0.29 C ATOM 1856 OD1 ASP A 122 17.321 31.260 -23.914 1.00 1.30 O ATOM 1857 OD2 ASP A 122 17.861 31.461 -25.991 1.00 0.98 O ATOM 0 H ASP A 122 16.321 28.842 -23.428 1.00 0.32 H new ATOM 0 HA ASP A 122 14.839 31.175 -23.912 1.00 0.29 H new ATOM 0 HB2 ASP A 122 16.229 29.191 -25.748 1.00 0.36 H new ATOM 0 HB3 ASP A 122 15.449 30.625 -26.386 1.00 0.36 H new ATOM 1862 N GLU A 123 13.327 28.442 -24.959 1.00 0.17 N ATOM 1863 CA GLU A 123 11.999 27.951 -25.439 1.00 0.12 C ATOM 1864 C GLU A 123 10.970 28.207 -24.331 1.00 0.13 C ATOM 1865 O GLU A 123 9.851 28.606 -24.581 1.00 0.17 O ATOM 1866 CB GLU A 123 12.087 26.442 -25.749 1.00 0.12 C ATOM 1867 CG GLU A 123 12.546 26.227 -27.198 1.00 1.57 C ATOM 1868 CD GLU A 123 11.420 26.618 -28.155 1.00 2.32 C ATOM 1869 OE1 GLU A 123 10.300 26.759 -27.693 1.00 2.46 O ATOM 1870 OE2 GLU A 123 11.698 26.770 -29.333 1.00 3.43 O ATOM 0 H GLU A 123 14.006 27.714 -24.736 1.00 0.17 H new ATOM 0 HA GLU A 123 11.703 28.472 -26.349 1.00 0.12 H new ATOM 0 HB2 GLU A 123 12.785 25.962 -25.063 1.00 0.12 H new ATOM 0 HB3 GLU A 123 11.115 25.974 -25.594 1.00 0.12 H new ATOM 0 HG2 GLU A 123 13.434 26.825 -27.401 1.00 1.57 H new ATOM 0 HG3 GLU A 123 12.822 25.184 -27.352 1.00 1.57 H new ATOM 1877 N MET A 124 11.364 28.000 -23.107 1.00 0.12 N ATOM 1878 CA MET A 124 10.450 28.248 -21.959 1.00 0.15 C ATOM 1879 C MET A 124 10.109 29.743 -21.904 1.00 0.16 C ATOM 1880 O MET A 124 9.050 30.135 -21.451 1.00 0.19 O ATOM 1881 CB MET A 124 11.137 27.809 -20.675 1.00 0.16 C ATOM 1882 CG MET A 124 11.436 26.305 -20.729 1.00 0.15 C ATOM 1883 SD MET A 124 11.780 25.700 -19.049 1.00 0.53 S ATOM 1884 CE MET A 124 13.344 24.841 -19.381 1.00 0.60 C ATOM 0 H MET A 124 12.293 27.665 -22.850 1.00 0.12 H new ATOM 0 HA MET A 124 9.527 27.680 -22.078 1.00 0.15 H new ATOM 0 HB2 MET A 124 12.063 28.368 -20.539 1.00 0.16 H new ATOM 0 HB3 MET A 124 10.501 28.031 -19.818 1.00 0.16 H new ATOM 0 HG2 MET A 124 10.588 25.769 -21.154 1.00 0.15 H new ATOM 0 HG3 MET A 124 12.291 26.116 -21.378 1.00 0.15 H new ATOM 0 HE1 MET A 124 13.547 24.131 -18.579 1.00 0.60 H new ATOM 0 HE2 MET A 124 13.272 24.307 -20.329 1.00 0.60 H new ATOM 0 HE3 MET A 124 14.154 25.568 -19.435 1.00 0.60 H new ATOM 1894 N ILE A 125 10.997 30.575 -22.376 1.00 0.14 N ATOM 1895 CA ILE A 125 10.741 32.049 -22.372 1.00 0.16 C ATOM 1896 C ILE A 125 9.797 32.421 -23.530 1.00 0.23 C ATOM 1897 O ILE A 125 9.095 33.410 -23.470 1.00 0.29 O ATOM 1898 CB ILE A 125 12.091 32.766 -22.530 1.00 0.17 C ATOM 1899 CG1 ILE A 125 12.870 32.620 -21.211 1.00 0.18 C ATOM 1900 CG2 ILE A 125 11.872 34.254 -22.848 1.00 0.22 C ATOM 1901 CD1 ILE A 125 14.240 33.298 -21.309 1.00 0.16 C ATOM 0 H ILE A 125 11.897 30.297 -22.768 1.00 0.14 H new ATOM 0 HA ILE A 125 10.266 32.351 -21.438 1.00 0.16 H new ATOM 0 HB ILE A 125 12.653 32.322 -23.352 1.00 0.17 H new ATOM 0 HG12 ILE A 125 12.298 33.062 -20.395 1.00 0.18 H new ATOM 0 HG13 ILE A 125 12.998 31.564 -20.974 1.00 0.18 H new ATOM 0 HG21 ILE A 125 12.837 34.749 -22.957 1.00 0.22 H new ATOM 0 HG22 ILE A 125 11.309 34.349 -23.776 1.00 0.22 H new ATOM 0 HG23 ILE A 125 11.315 34.721 -22.036 1.00 0.22 H new ATOM 0 HD11 ILE A 125 14.772 33.182 -20.365 1.00 0.16 H new ATOM 0 HD12 ILE A 125 14.818 32.837 -22.110 1.00 0.16 H new ATOM 0 HD13 ILE A 125 14.107 34.359 -21.522 1.00 0.16 H new ATOM 1913 N ARG A 126 9.783 31.647 -24.582 1.00 0.21 N ATOM 1914 CA ARG A 126 8.896 31.972 -25.742 1.00 0.28 C ATOM 1915 C ARG A 126 7.421 31.971 -25.303 1.00 0.33 C ATOM 1916 O ARG A 126 6.705 32.925 -25.531 1.00 0.41 O ATOM 1917 CB ARG A 126 9.110 30.931 -26.858 1.00 0.25 C ATOM 1918 CG ARG A 126 10.297 31.347 -27.749 1.00 0.45 C ATOM 1919 CD ARG A 126 9.954 32.613 -28.566 1.00 1.52 C ATOM 1920 NE ARG A 126 10.448 32.456 -29.971 1.00 1.67 N ATOM 1921 CZ ARG A 126 11.662 32.036 -30.220 1.00 1.08 C ATOM 1922 NH1 ARG A 126 12.521 31.890 -29.250 1.00 1.14 N ATOM 1923 NH2 ARG A 126 12.027 31.801 -31.450 1.00 1.48 N ATOM 0 H ARG A 126 10.346 30.804 -24.690 1.00 0.21 H new ATOM 0 HA ARG A 126 9.148 32.964 -26.116 1.00 0.28 H new ATOM 0 HB2 ARG A 126 9.300 29.951 -26.420 1.00 0.25 H new ATOM 0 HB3 ARG A 126 8.206 30.842 -27.461 1.00 0.25 H new ATOM 0 HG2 ARG A 126 11.174 31.535 -27.129 1.00 0.45 H new ATOM 0 HG3 ARG A 126 10.553 30.531 -28.425 1.00 0.45 H new ATOM 0 HD2 ARG A 126 8.876 32.777 -28.565 1.00 1.52 H new ATOM 0 HD3 ARG A 126 10.410 33.489 -28.106 1.00 1.52 H new ATOM 0 HE ARG A 126 9.827 32.681 -30.748 1.00 1.67 H new ATOM 0 HH11 ARG A 126 12.248 32.104 -28.291 1.00 1.14 H new ATOM 0 HH12 ARG A 126 13.466 31.562 -29.451 1.00 1.14 H new ATOM 0 HH21 ARG A 126 11.367 31.945 -32.214 1.00 1.48 H new ATOM 0 HH22 ARG A 126 12.973 31.474 -31.648 1.00 1.48 H new ATOM 1937 N GLU A 127 6.949 30.908 -24.700 1.00 0.33 N ATOM 1938 CA GLU A 127 5.508 30.877 -24.286 1.00 0.42 C ATOM 1939 C GLU A 127 5.304 31.666 -22.977 1.00 0.41 C ATOM 1940 O GLU A 127 4.201 32.072 -22.665 1.00 0.48 O ATOM 1941 CB GLU A 127 5.057 29.415 -24.095 1.00 0.47 C ATOM 1942 CG GLU A 127 4.705 28.798 -25.455 1.00 0.52 C ATOM 1943 CD GLU A 127 4.287 27.336 -25.265 1.00 0.32 C ATOM 1944 OE1 GLU A 127 4.640 26.768 -24.247 1.00 0.87 O ATOM 1945 OE2 GLU A 127 3.619 26.814 -26.143 1.00 1.00 O ATOM 0 H GLU A 127 7.488 30.071 -24.478 1.00 0.33 H new ATOM 0 HA GLU A 127 4.907 31.343 -25.067 1.00 0.42 H new ATOM 0 HB2 GLU A 127 5.851 28.839 -23.619 1.00 0.47 H new ATOM 0 HB3 GLU A 127 4.192 29.375 -23.432 1.00 0.47 H new ATOM 0 HG2 GLU A 127 3.896 29.360 -25.922 1.00 0.52 H new ATOM 0 HG3 GLU A 127 5.563 28.857 -26.125 1.00 0.52 H new ATOM 1952 N ALA A 128 6.349 31.931 -22.234 1.00 0.34 N ATOM 1953 CA ALA A 128 6.208 32.731 -20.994 1.00 0.33 C ATOM 1954 C ALA A 128 6.414 34.176 -21.381 1.00 0.34 C ATOM 1955 O ALA A 128 7.478 34.715 -21.184 1.00 0.29 O ATOM 1956 CB ALA A 128 7.271 32.351 -19.969 1.00 0.26 C ATOM 0 H ALA A 128 7.299 31.622 -22.441 1.00 0.34 H new ATOM 0 HA ALA A 128 5.228 32.554 -20.550 1.00 0.33 H new ATOM 0 HB1 ALA A 128 7.142 32.954 -19.070 1.00 0.26 H new ATOM 0 HB2 ALA A 128 7.171 31.296 -19.715 1.00 0.26 H new ATOM 0 HB3 ALA A 128 8.261 32.531 -20.388 1.00 0.26 H new ATOM 1962 N ASP A 129 5.420 34.777 -21.955 1.00 0.42 N ATOM 1963 CA ASP A 129 5.511 36.199 -22.409 1.00 0.45 C ATOM 1964 C ASP A 129 6.297 37.019 -21.378 1.00 0.41 C ATOM 1965 O ASP A 129 5.750 37.672 -20.515 1.00 0.44 O ATOM 1966 CB ASP A 129 4.092 36.757 -22.559 1.00 0.52 C ATOM 1967 CG ASP A 129 3.194 36.174 -21.468 1.00 0.91 C ATOM 1968 OD1 ASP A 129 3.124 36.770 -20.405 1.00 2.18 O ATOM 1969 OD2 ASP A 129 2.589 35.144 -21.713 1.00 1.10 O ATOM 0 H ASP A 129 4.519 34.336 -22.137 1.00 0.42 H new ATOM 0 HA ASP A 129 6.029 36.256 -23.367 1.00 0.45 H new ATOM 0 HB2 ASP A 129 4.109 37.845 -22.488 1.00 0.52 H new ATOM 0 HB3 ASP A 129 3.695 36.508 -23.543 1.00 0.52 H new ATOM 1974 N ILE A 130 7.587 36.916 -21.462 1.00 0.34 N ATOM 1975 CA ILE A 130 8.498 37.594 -20.502 1.00 0.32 C ATOM 1976 C ILE A 130 8.691 39.065 -20.867 1.00 0.37 C ATOM 1977 O ILE A 130 9.400 39.804 -20.212 1.00 0.45 O ATOM 1978 CB ILE A 130 9.826 36.815 -20.566 1.00 0.31 C ATOM 1979 CG1 ILE A 130 9.751 35.512 -19.674 1.00 0.25 C ATOM 1980 CG2 ILE A 130 11.010 37.716 -20.205 1.00 0.40 C ATOM 1981 CD1 ILE A 130 10.979 35.362 -18.756 1.00 0.29 C ATOM 0 H ILE A 130 8.066 36.372 -22.180 1.00 0.34 H new ATOM 0 HA ILE A 130 8.088 37.593 -19.492 1.00 0.32 H new ATOM 0 HB ILE A 130 9.992 36.486 -21.592 1.00 0.31 H new ATOM 0 HG12 ILE A 130 8.847 35.542 -19.066 1.00 0.25 H new ATOM 0 HG13 ILE A 130 9.673 34.637 -20.319 1.00 0.25 H new ATOM 0 HG21 ILE A 130 11.934 37.141 -20.258 1.00 0.40 H new ATOM 0 HG22 ILE A 130 11.060 38.549 -20.906 1.00 0.40 H new ATOM 0 HG23 ILE A 130 10.880 38.100 -19.193 1.00 0.40 H new ATOM 0 HD11 ILE A 130 10.881 34.452 -18.163 1.00 0.29 H new ATOM 0 HD12 ILE A 130 11.882 35.304 -19.363 1.00 0.29 H new ATOM 0 HD13 ILE A 130 11.044 36.223 -18.091 1.00 0.29 H new ATOM 1993 N ASP A 131 8.044 39.475 -21.876 1.00 0.43 N ATOM 1994 CA ASP A 131 8.107 40.871 -22.347 1.00 0.46 C ATOM 1995 C ASP A 131 6.711 41.439 -22.223 1.00 0.42 C ATOM 1996 O ASP A 131 5.904 40.966 -21.449 1.00 0.44 O ATOM 1997 CB ASP A 131 8.580 40.909 -23.814 1.00 0.75 C ATOM 1998 CG ASP A 131 8.997 42.335 -24.178 1.00 0.82 C ATOM 1999 OD1 ASP A 131 10.010 42.784 -23.672 1.00 1.72 O ATOM 2000 OD2 ASP A 131 8.293 42.956 -24.961 1.00 0.85 O ATOM 0 H ASP A 131 7.436 38.877 -22.435 1.00 0.43 H new ATOM 0 HA ASP A 131 8.813 41.456 -21.758 1.00 0.46 H new ATOM 0 HB2 ASP A 131 9.418 40.226 -23.955 1.00 0.75 H new ATOM 0 HB3 ASP A 131 7.780 40.573 -24.474 1.00 0.75 H new ATOM 2005 N GLY A 132 6.420 42.446 -22.958 1.00 0.52 N ATOM 2006 CA GLY A 132 5.074 43.056 -22.863 1.00 0.64 C ATOM 2007 C GLY A 132 4.958 43.781 -21.519 1.00 0.63 C ATOM 2008 O GLY A 132 4.251 44.761 -21.392 1.00 0.77 O ATOM 0 H GLY A 132 7.052 42.884 -23.628 1.00 0.52 H new ATOM 0 HA2 GLY A 132 4.917 43.755 -23.684 1.00 0.64 H new ATOM 0 HA3 GLY A 132 4.304 42.289 -22.946 1.00 0.64 H new ATOM 2012 N ASP A 133 5.658 43.304 -20.510 1.00 0.47 N ATOM 2013 CA ASP A 133 5.606 43.959 -19.165 1.00 0.46 C ATOM 2014 C ASP A 133 7.027 44.111 -18.620 1.00 0.33 C ATOM 2015 O ASP A 133 7.648 45.147 -18.757 1.00 0.43 O ATOM 2016 CB ASP A 133 4.786 43.089 -18.210 1.00 0.50 C ATOM 2017 CG ASP A 133 4.829 43.693 -16.804 1.00 0.63 C ATOM 2018 OD1 ASP A 133 5.819 43.488 -16.123 1.00 1.74 O ATOM 2019 OD2 ASP A 133 3.871 44.352 -16.434 1.00 1.02 O ATOM 0 H ASP A 133 6.264 42.486 -20.565 1.00 0.47 H new ATOM 0 HA ASP A 133 5.142 44.941 -19.254 1.00 0.46 H new ATOM 0 HB2 ASP A 133 3.755 43.022 -18.557 1.00 0.50 H new ATOM 0 HB3 ASP A 133 5.184 42.074 -18.194 1.00 0.50 H new ATOM 2024 N GLY A 134 7.554 43.083 -18.013 1.00 0.24 N ATOM 2025 CA GLY A 134 8.943 43.165 -17.466 1.00 0.20 C ATOM 2026 C GLY A 134 9.141 42.109 -16.374 1.00 0.18 C ATOM 2027 O GLY A 134 10.180 41.482 -16.293 1.00 0.35 O ATOM 0 H GLY A 134 7.085 42.189 -17.871 1.00 0.24 H new ATOM 0 HA2 GLY A 134 9.667 43.012 -18.266 1.00 0.20 H new ATOM 0 HA3 GLY A 134 9.124 44.160 -17.058 1.00 0.20 H new ATOM 2031 N GLN A 135 8.154 41.899 -15.543 1.00 0.14 N ATOM 2032 CA GLN A 135 8.268 40.875 -14.457 1.00 0.24 C ATOM 2033 C GLN A 135 7.437 39.653 -14.845 1.00 0.36 C ATOM 2034 O GLN A 135 6.640 39.707 -15.761 1.00 0.66 O ATOM 2035 CB GLN A 135 7.733 41.458 -13.145 1.00 0.45 C ATOM 2036 CG GLN A 135 8.475 42.762 -12.810 1.00 0.19 C ATOM 2037 CD GLN A 135 8.402 43.029 -11.302 1.00 0.48 C ATOM 2038 OE1 GLN A 135 9.309 43.598 -10.728 1.00 0.57 O ATOM 2039 NE2 GLN A 135 7.353 42.635 -10.634 1.00 1.70 N ATOM 0 H GLN A 135 7.264 42.397 -15.569 1.00 0.14 H new ATOM 0 HA GLN A 135 9.312 40.590 -14.324 1.00 0.24 H new ATOM 0 HB2 GLN A 135 6.664 41.650 -13.232 1.00 0.45 H new ATOM 0 HB3 GLN A 135 7.863 40.738 -12.337 1.00 0.45 H new ATOM 0 HG2 GLN A 135 9.516 42.690 -13.126 1.00 0.19 H new ATOM 0 HG3 GLN A 135 8.032 43.594 -13.358 1.00 0.19 H new ATOM 0 HE21 GLN A 135 6.591 42.157 -11.116 1.00 1.70 H new ATOM 0 HE22 GLN A 135 7.294 42.805 -9.630 1.00 1.70 H new ATOM 2048 N VAL A 136 7.611 38.543 -14.171 1.00 0.32 N ATOM 2049 CA VAL A 136 6.827 37.326 -14.525 1.00 0.39 C ATOM 2050 C VAL A 136 6.505 36.550 -13.249 1.00 0.62 C ATOM 2051 O VAL A 136 7.264 36.555 -12.289 1.00 0.74 O ATOM 2052 CB VAL A 136 7.679 36.442 -15.444 1.00 0.14 C ATOM 2053 CG1 VAL A 136 6.812 35.451 -16.239 1.00 0.38 C ATOM 2054 CG2 VAL A 136 8.455 37.319 -16.425 1.00 0.22 C ATOM 0 H VAL A 136 8.261 38.430 -13.393 1.00 0.32 H new ATOM 0 HA VAL A 136 5.903 37.610 -15.028 1.00 0.39 H new ATOM 0 HB VAL A 136 8.365 35.874 -14.816 1.00 0.14 H new ATOM 0 HG11 VAL A 136 7.450 34.842 -16.879 1.00 0.38 H new ATOM 0 HG12 VAL A 136 6.270 34.806 -15.548 1.00 0.38 H new ATOM 0 HG13 VAL A 136 6.101 36.002 -16.855 1.00 0.38 H new ATOM 0 HG21 VAL A 136 9.060 36.689 -17.077 1.00 0.22 H new ATOM 0 HG22 VAL A 136 7.755 37.898 -17.027 1.00 0.22 H new ATOM 0 HG23 VAL A 136 9.105 37.997 -15.872 1.00 0.22 H new ATOM 2064 N ASN A 137 5.397 35.869 -13.242 1.00 0.82 N ATOM 2065 CA ASN A 137 5.023 35.075 -12.077 1.00 1.09 C ATOM 2066 C ASN A 137 5.822 33.777 -12.107 1.00 0.88 C ATOM 2067 O ASN A 137 5.355 32.755 -12.568 1.00 1.39 O ATOM 2068 CB ASN A 137 3.534 34.772 -12.158 1.00 1.42 C ATOM 2069 CG ASN A 137 3.145 34.477 -13.608 1.00 2.80 C ATOM 2070 OD1 ASN A 137 3.494 33.445 -14.146 1.00 2.90 O ATOM 2071 ND2 ASN A 137 2.428 35.346 -14.269 1.00 4.13 N ATOM 0 H ASN A 137 4.733 35.838 -14.015 1.00 0.82 H new ATOM 0 HA ASN A 137 5.233 35.612 -11.152 1.00 1.09 H new ATOM 0 HB2 ASN A 137 3.292 33.918 -11.526 1.00 1.42 H new ATOM 0 HB3 ASN A 137 2.960 35.619 -11.783 1.00 1.42 H new ATOM 0 HD21 ASN A 137 2.162 35.158 -15.235 1.00 4.13 H new ATOM 0 HD22 ASN A 137 2.134 36.213 -13.819 1.00 4.13 H new ATOM 2078 N TYR A 138 7.025 33.830 -11.623 1.00 0.99 N ATOM 2079 CA TYR A 138 7.900 32.624 -11.599 1.00 0.86 C ATOM 2080 C TYR A 138 7.107 31.351 -11.252 1.00 0.77 C ATOM 2081 O TYR A 138 7.546 30.254 -11.523 1.00 0.72 O ATOM 2082 CB TYR A 138 8.973 32.851 -10.530 1.00 1.17 C ATOM 2083 CG TYR A 138 8.414 32.652 -9.119 1.00 0.62 C ATOM 2084 CD1 TYR A 138 7.110 33.058 -8.767 1.00 1.74 C ATOM 2085 CD2 TYR A 138 9.229 32.070 -8.154 1.00 0.91 C ATOM 2086 CE1 TYR A 138 6.640 32.874 -7.472 1.00 1.54 C ATOM 2087 CE2 TYR A 138 8.758 31.887 -6.843 1.00 1.30 C ATOM 2088 CZ TYR A 138 7.462 32.290 -6.505 1.00 0.76 C ATOM 2089 OH TYR A 138 6.995 32.111 -5.218 1.00 1.28 O ATOM 0 H TYR A 138 7.450 34.672 -11.235 1.00 0.99 H new ATOM 0 HA TYR A 138 8.338 32.482 -12.587 1.00 0.86 H new ATOM 0 HB2 TYR A 138 9.802 32.163 -10.694 1.00 1.17 H new ATOM 0 HB3 TYR A 138 9.373 33.860 -10.624 1.00 1.17 H new ATOM 0 HD1 TYR A 138 6.472 33.515 -9.509 1.00 1.74 H new ATOM 0 HD2 TYR A 138 10.229 31.757 -8.414 1.00 0.91 H new ATOM 0 HE1 TYR A 138 5.638 33.183 -7.213 1.00 1.54 H new ATOM 0 HE2 TYR A 138 9.396 31.436 -6.097 1.00 1.30 H new ATOM 0 HH TYR A 138 7.692 31.691 -4.672 1.00 1.28 H new ATOM 2099 N GLU A 139 5.956 31.477 -10.653 1.00 0.89 N ATOM 2100 CA GLU A 139 5.173 30.262 -10.296 1.00 0.86 C ATOM 2101 C GLU A 139 4.970 29.398 -11.549 1.00 0.69 C ATOM 2102 O GLU A 139 5.058 28.186 -11.497 1.00 0.75 O ATOM 2103 CB GLU A 139 3.810 30.682 -9.696 1.00 0.88 C ATOM 2104 CG GLU A 139 3.431 29.759 -8.538 1.00 0.82 C ATOM 2105 CD GLU A 139 1.977 30.013 -8.133 1.00 1.12 C ATOM 2106 OE1 GLU A 139 1.449 31.043 -8.516 1.00 1.50 O ATOM 2107 OE2 GLU A 139 1.418 29.175 -7.446 1.00 1.56 O ATOM 0 H GLU A 139 5.525 32.365 -10.396 1.00 0.89 H new ATOM 0 HA GLU A 139 5.715 29.678 -9.552 1.00 0.86 H new ATOM 0 HB2 GLU A 139 3.862 31.713 -9.346 1.00 0.88 H new ATOM 0 HB3 GLU A 139 3.039 30.645 -10.466 1.00 0.88 H new ATOM 0 HG2 GLU A 139 3.560 28.718 -8.833 1.00 0.82 H new ATOM 0 HG3 GLU A 139 4.091 29.934 -7.689 1.00 0.82 H new ATOM 2114 N GLU A 140 4.702 30.006 -12.669 1.00 0.52 N ATOM 2115 CA GLU A 140 4.503 29.205 -13.908 1.00 0.39 C ATOM 2116 C GLU A 140 5.850 28.636 -14.366 1.00 0.37 C ATOM 2117 O GLU A 140 5.948 27.498 -14.774 1.00 0.45 O ATOM 2118 CB GLU A 140 3.920 30.099 -15.006 1.00 0.26 C ATOM 2119 CG GLU A 140 3.477 29.232 -16.188 1.00 1.23 C ATOM 2120 CD GLU A 140 2.652 30.078 -17.161 1.00 1.35 C ATOM 2121 OE1 GLU A 140 2.162 31.115 -16.744 1.00 1.13 O ATOM 2122 OE2 GLU A 140 2.525 29.673 -18.304 1.00 2.40 O ATOM 0 H GLU A 140 4.612 31.016 -12.781 1.00 0.52 H new ATOM 0 HA GLU A 140 3.813 28.385 -13.707 1.00 0.39 H new ATOM 0 HB2 GLU A 140 3.073 30.664 -14.618 1.00 0.26 H new ATOM 0 HB3 GLU A 140 4.665 30.825 -15.332 1.00 0.26 H new ATOM 0 HG2 GLU A 140 4.348 28.819 -16.697 1.00 1.23 H new ATOM 0 HG3 GLU A 140 2.886 28.388 -15.832 1.00 1.23 H new ATOM 2129 N PHE A 141 6.892 29.423 -14.298 1.00 0.35 N ATOM 2130 CA PHE A 141 8.233 28.925 -14.729 1.00 0.31 C ATOM 2131 C PHE A 141 8.689 27.801 -13.781 1.00 0.40 C ATOM 2132 O PHE A 141 9.390 26.891 -14.179 1.00 0.37 O ATOM 2133 CB PHE A 141 9.259 30.094 -14.699 1.00 0.29 C ATOM 2134 CG PHE A 141 9.756 30.408 -16.098 1.00 0.19 C ATOM 2135 CD1 PHE A 141 10.646 29.534 -16.728 1.00 0.09 C ATOM 2136 CD2 PHE A 141 9.332 31.571 -16.757 1.00 0.27 C ATOM 2137 CE1 PHE A 141 11.112 29.820 -18.015 1.00 0.16 C ATOM 2138 CE2 PHE A 141 9.808 31.853 -18.049 1.00 0.21 C ATOM 2139 CZ PHE A 141 10.692 30.979 -18.669 1.00 0.15 C ATOM 0 H PHE A 141 6.873 30.386 -13.964 1.00 0.35 H new ATOM 0 HA PHE A 141 8.169 28.535 -15.745 1.00 0.31 H new ATOM 0 HB2 PHE A 141 8.796 30.980 -14.265 1.00 0.29 H new ATOM 0 HB3 PHE A 141 10.101 29.829 -14.060 1.00 0.29 H new ATOM 0 HD1 PHE A 141 10.974 28.638 -16.221 1.00 0.09 H new ATOM 0 HD2 PHE A 141 8.642 32.247 -16.274 1.00 0.27 H new ATOM 0 HE1 PHE A 141 11.798 29.143 -18.503 1.00 0.16 H new ATOM 0 HE2 PHE A 141 9.487 32.749 -18.560 1.00 0.21 H new ATOM 0 HZ PHE A 141 11.056 31.198 -19.662 1.00 0.15 H new ATOM 2149 N VAL A 142 8.309 27.863 -12.533 1.00 0.58 N ATOM 2150 CA VAL A 142 8.736 26.807 -11.567 1.00 0.70 C ATOM 2151 C VAL A 142 8.179 25.447 -12.010 1.00 0.74 C ATOM 2152 O VAL A 142 8.841 24.434 -11.908 1.00 0.87 O ATOM 2153 CB VAL A 142 8.203 27.164 -10.169 1.00 0.87 C ATOM 2154 CG1 VAL A 142 8.306 25.953 -9.233 1.00 0.96 C ATOM 2155 CG2 VAL A 142 9.030 28.317 -9.592 1.00 0.79 C ATOM 0 H VAL A 142 7.722 28.598 -12.140 1.00 0.58 H new ATOM 0 HA VAL A 142 9.824 26.749 -11.538 1.00 0.70 H new ATOM 0 HB VAL A 142 7.157 27.459 -10.255 1.00 0.87 H new ATOM 0 HG11 VAL A 142 7.925 26.221 -8.248 1.00 0.96 H new ATOM 0 HG12 VAL A 142 7.718 25.129 -9.638 1.00 0.96 H new ATOM 0 HG13 VAL A 142 9.349 25.647 -9.148 1.00 0.96 H new ATOM 0 HG21 VAL A 142 8.655 28.573 -8.601 1.00 0.79 H new ATOM 0 HG22 VAL A 142 10.074 28.014 -9.518 1.00 0.79 H new ATOM 0 HG23 VAL A 142 8.950 29.185 -10.246 1.00 0.79 H new ATOM 2165 N GLN A 143 6.964 25.413 -12.487 1.00 0.67 N ATOM 2166 CA GLN A 143 6.364 24.114 -12.916 1.00 0.72 C ATOM 2167 C GLN A 143 6.980 23.661 -14.245 1.00 0.64 C ATOM 2168 O GLN A 143 6.972 22.490 -14.574 1.00 0.72 O ATOM 2169 CB GLN A 143 4.854 24.282 -13.095 1.00 0.71 C ATOM 2170 CG GLN A 143 4.223 24.705 -11.767 1.00 0.94 C ATOM 2171 CD GLN A 143 4.332 23.558 -10.758 1.00 1.92 C ATOM 2172 OE1 GLN A 143 4.462 22.410 -11.136 1.00 2.52 O ATOM 2173 NE2 GLN A 143 4.286 23.823 -9.481 1.00 2.89 N ATOM 0 H GLN A 143 6.360 26.227 -12.599 1.00 0.67 H new ATOM 0 HA GLN A 143 6.565 23.363 -12.152 1.00 0.72 H new ATOM 0 HB2 GLN A 143 4.650 25.030 -13.861 1.00 0.71 H new ATOM 0 HB3 GLN A 143 4.412 23.346 -13.437 1.00 0.71 H new ATOM 0 HG2 GLN A 143 4.725 25.592 -11.380 1.00 0.94 H new ATOM 0 HG3 GLN A 143 3.177 24.971 -11.918 1.00 0.94 H new ATOM 0 HE21 GLN A 143 4.177 24.786 -9.164 1.00 2.89 H new ATOM 0 HE22 GLN A 143 4.359 23.067 -8.800 1.00 2.89 H new ATOM 2182 N MET A 144 7.501 24.574 -15.012 1.00 0.52 N ATOM 2183 CA MET A 144 8.101 24.191 -16.325 1.00 0.48 C ATOM 2184 C MET A 144 9.422 23.449 -16.098 1.00 0.53 C ATOM 2185 O MET A 144 9.731 22.495 -16.784 1.00 0.61 O ATOM 2186 CB MET A 144 8.354 25.457 -17.166 1.00 0.34 C ATOM 2187 CG MET A 144 7.082 25.865 -17.922 1.00 0.28 C ATOM 2188 SD MET A 144 7.481 27.208 -19.069 1.00 0.49 S ATOM 2189 CE MET A 144 5.783 27.707 -19.445 1.00 0.48 C ATOM 0 H MET A 144 7.539 25.569 -14.790 1.00 0.52 H new ATOM 0 HA MET A 144 7.411 23.535 -16.857 1.00 0.48 H new ATOM 0 HB2 MET A 144 8.676 26.272 -16.518 1.00 0.34 H new ATOM 0 HB3 MET A 144 9.162 25.274 -17.874 1.00 0.34 H new ATOM 0 HG2 MET A 144 6.679 25.012 -18.467 1.00 0.28 H new ATOM 0 HG3 MET A 144 6.313 26.186 -17.219 1.00 0.28 H new ATOM 0 HE1 MET A 144 5.744 28.142 -20.444 1.00 0.48 H new ATOM 0 HE2 MET A 144 5.130 26.835 -19.403 1.00 0.48 H new ATOM 0 HE3 MET A 144 5.451 28.445 -18.715 1.00 0.48 H new ATOM 2199 N MET A 145 10.206 23.881 -15.153 1.00 0.50 N ATOM 2200 CA MET A 145 11.506 23.197 -14.903 1.00 0.54 C ATOM 2201 C MET A 145 11.248 21.781 -14.385 1.00 0.67 C ATOM 2202 O MET A 145 12.093 20.913 -14.477 1.00 0.74 O ATOM 2203 CB MET A 145 12.318 23.993 -13.869 1.00 0.50 C ATOM 2204 CG MET A 145 12.783 25.348 -14.469 1.00 0.35 C ATOM 2205 SD MET A 145 14.594 25.480 -14.389 1.00 0.15 S ATOM 2206 CE MET A 145 14.762 25.585 -12.589 1.00 0.32 C ATOM 0 H MET A 145 10.006 24.675 -14.544 1.00 0.50 H new ATOM 0 HA MET A 145 12.071 23.140 -15.833 1.00 0.54 H new ATOM 0 HB2 MET A 145 11.712 24.171 -12.981 1.00 0.50 H new ATOM 0 HB3 MET A 145 13.184 23.412 -13.553 1.00 0.50 H new ATOM 0 HG2 MET A 145 12.450 25.429 -15.504 1.00 0.35 H new ATOM 0 HG3 MET A 145 12.326 26.173 -13.922 1.00 0.35 H new ATOM 0 HE1 MET A 145 15.543 26.302 -12.338 1.00 0.32 H new ATOM 0 HE2 MET A 145 13.817 25.910 -12.154 1.00 0.32 H new ATOM 0 HE3 MET A 145 15.027 24.606 -12.191 1.00 0.32 H new ATOM 2216 N THR A 146 10.087 21.540 -13.838 1.00 0.71 N ATOM 2217 CA THR A 146 9.765 20.201 -13.310 1.00 0.85 C ATOM 2218 C THR A 146 9.295 19.301 -14.455 1.00 0.89 C ATOM 2219 O THR A 146 9.984 18.393 -14.877 1.00 0.66 O ATOM 2220 CB THR A 146 8.653 20.390 -12.262 1.00 0.92 C ATOM 2221 OG1 THR A 146 8.188 21.728 -12.334 1.00 0.95 O ATOM 2222 CG2 THR A 146 9.191 20.130 -10.852 1.00 0.91 C ATOM 0 H THR A 146 9.343 22.230 -13.737 1.00 0.71 H new ATOM 0 HA THR A 146 10.634 19.727 -12.854 1.00 0.85 H new ATOM 0 HB THR A 146 7.846 19.686 -12.467 1.00 0.92 H new ATOM 0 HG1 THR A 146 7.461 21.787 -12.988 1.00 0.95 H new ATOM 0 HG21 THR A 146 8.390 20.269 -10.126 1.00 0.91 H new ATOM 0 HG22 THR A 146 9.566 19.108 -10.788 1.00 0.91 H new ATOM 0 HG23 THR A 146 10.000 20.828 -10.637 1.00 0.91 H new ATOM 2230 N ALA A 147 8.131 19.560 -14.953 1.00 1.28 N ATOM 2231 CA ALA A 147 7.584 18.752 -16.069 1.00 1.39 C ATOM 2232 C ALA A 147 6.206 19.288 -16.434 1.00 2.17 C ATOM 2233 O ALA A 147 5.284 19.282 -15.644 1.00 2.74 O ATOM 2234 CB ALA A 147 7.463 17.286 -15.664 1.00 1.61 C ATOM 0 H ALA A 147 7.521 20.311 -14.630 1.00 1.28 H new ATOM 0 HA ALA A 147 8.258 18.822 -16.923 1.00 1.39 H new ATOM 0 HB1 ALA A 147 7.060 16.710 -16.497 1.00 1.61 H new ATOM 0 HB2 ALA A 147 8.447 16.899 -15.399 1.00 1.61 H new ATOM 0 HB3 ALA A 147 6.796 17.199 -14.806 1.00 1.61 H new ATOM 2240 N LYS A 148 6.077 19.751 -17.628 1.00 2.33 N ATOM 2241 CA LYS A 148 4.771 20.300 -18.092 1.00 3.18 C ATOM 2242 C LYS A 148 3.676 19.260 -17.838 1.00 3.79 C ATOM 2243 O LYS A 148 3.761 18.187 -18.413 1.00 3.63 O ATOM 2244 CB LYS A 148 4.838 20.607 -19.601 1.00 3.18 C ATOM 2245 CG LYS A 148 5.582 21.932 -19.864 1.00 3.14 C ATOM 2246 CD LYS A 148 7.108 21.729 -19.814 1.00 1.86 C ATOM 2247 CE LYS A 148 7.575 20.801 -20.953 1.00 1.56 C ATOM 2248 NZ LYS A 148 8.939 21.211 -21.392 1.00 0.83 N ATOM 2249 OXT LYS A 148 2.773 19.555 -17.074 1.00 4.55 O ATOM 0 H LYS A 148 6.825 19.778 -18.321 1.00 2.33 H new ATOM 0 HA LYS A 148 4.550 21.219 -17.549 1.00 3.18 H new ATOM 0 HB2 LYS A 148 5.344 19.793 -20.119 1.00 3.18 H new ATOM 0 HB3 LYS A 148 3.829 20.666 -20.009 1.00 3.18 H new ATOM 0 HG2 LYS A 148 5.296 22.326 -20.839 1.00 3.14 H new ATOM 0 HG3 LYS A 148 5.286 22.673 -19.121 1.00 3.14 H new ATOM 0 HD2 LYS A 148 7.610 22.693 -19.895 1.00 1.86 H new ATOM 0 HD3 LYS A 148 7.391 21.302 -18.852 1.00 1.86 H new ATOM 0 HE2 LYS A 148 7.585 19.765 -20.613 1.00 1.56 H new ATOM 0 HE3 LYS A 148 6.879 20.855 -21.790 1.00 1.56 H new ATOM 0 HZ1 LYS A 148 9.258 20.587 -22.161 1.00 0.83 H new ATOM 0 HZ2 LYS A 148 8.914 22.194 -21.731 1.00 0.83 H new ATOM 0 HZ3 LYS A 148 9.598 21.138 -20.591 1.00 0.83 H new TER 2263 LYS A 148