USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1111 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 114 GLN :FLIP amide:sc= -1.57 F(o=-3.9!,f=-2.5) USER MOD Set 1.2: A 121 THR OG1 : rot -20:sc= -0.967! USER MOD Set 2.1: A 91 THR OG1 : rot -34:sc= 1.1 USER MOD Set 2.2: A 93 CYS SG : rot 72:sc= -1.25! USER MOD Set 3.1: A 69 GLN :FLIP amide:sc= -2.44! C(o=-3.8!,f=-3.2!) USER MOD Set 3.2: A 86 SER OG : rot 140:sc= -0.802 USER MOD Set 4.1: A 82 LYS NZ :NH3+ -179:sc= 0.258 (180deg=0.257) USER MOD Set 4.2: A 84 TYR OH : rot 39:sc= -0.0509 USER MOD Set 5.1: A 60 GLN : amide:sc= 0.715 K(o=1.6,f=0.12) USER MOD Set 5.2: A 64 GLN : amide:sc= 0.67 K(o=1.6,f=0.12) USER MOD Set 5.3: A 70 THR OG1 : rot -110:sc= 0.199 USER MOD Set 6.1: A 44 HIS : no HE2:sc= -0.74 K(o=-1.1,f=-7!) USER MOD Set 6.2: A 46 GLN :FLIP amide:sc= -0.315 F(o=-3.8!,f=-1.1) USER MOD Set 7.1: A 45 GLN : amide:sc= 0.0305 X(o=0.12,f=0.059) USER MOD Set 7.2: A 111 SER OG : rot -108:sc= 0.0864 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.0941 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 4 HIS : no HD1:sc= -0.0469 X(o=-0.047,f=-0.053) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS :FLIP no HE2:sc= 0.15 F(o=-0.62,f=0.15) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0.218 K(o=0.22,f=-0.38) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -120:sc= -1.23 (180deg=-2.22!) USER MOD Single : A 25 ASN : amide:sc= -0.0406 K(o=-0.041,f=-1.4) USER MOD Single : A 27 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.55) USER MOD Single : A 29 THR OG1 : rot -170:sc= 0.366 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 151:sc= 0.152 (180deg=-1.25) USER MOD Single : A 36 THR OG1 : rot 80:sc= 1.1 USER MOD Single : A 39 SER OG : rot 83:sc= 0.695 USER MOD Single : A 41 LYS NZ :NH3+ -107:sc= 0.854 (180deg=-0.0316) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.211 F(o=-0.73,f=-0.21) USER MOD Single : A 73 MET CE :methyl -162:sc= -0.0903 (180deg=-0.518) USER MOD Single : A 74 SER OG : rot 63:sc= 0.977 USER MOD Single : A 78 SER OG : rot -170:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -2! C(o=-2!,f=-3.2!) USER MOD Single : A 97 THR OG1 : rot 176:sc= 0.149 USER MOD Single : A 105 ASN : amide:sc= 0.0349 K(o=0.035,f=-1.1) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -159:sc= -0.377 (180deg=-0.756) USER MOD Single : A 109 GLN :FLIP amide:sc= -0.622 F(o=-1.6!,f=-0.62) USER MOD Single : A 113 LYS NZ :NH3+ 153:sc= 1.84 (180deg=0.831) USER MOD Single : A 115 ASN :FLIP amide:sc= -0.767 F(o=-5.4!,f=-0.77) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= -0.0116 X(o=-0.012,f=-0.48) USER MOD Single : A 124 SER OG : rot 160:sc= -0.319 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 70:sc= 0.569 USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.240 20.995 33.791 1.00 40.23 N ATOM 2 CA MET A 1 -12.227 22.038 33.421 1.00 24.33 C ATOM 3 C MET A 1 -11.588 23.126 32.554 1.00 62.31 C ATOM 4 O MET A 1 -10.359 23.212 32.450 1.00 33.14 O ATOM 5 CB MET A 1 -12.880 22.669 34.687 1.00 14.42 C ATOM 6 CG MET A 1 -13.765 21.721 35.497 1.00 11.50 C ATOM 7 SD MET A 1 -14.592 22.566 36.867 1.00 23.50 S ATOM 8 CE MET A 1 -15.532 21.237 37.616 1.00 23.23 C ATOM 0 H1 MET A 1 -11.513 20.090 33.358 1.00 40.23 H new ATOM 0 H2 MET A 1 -10.298 21.272 33.449 1.00 40.23 H new ATOM 0 H3 MET A 1 -11.216 20.891 34.825 1.00 40.23 H new ATOM 0 HA MET A 1 -13.009 21.552 32.837 1.00 24.33 H new ATOM 0 HB2 MET A 1 -12.089 23.047 35.335 1.00 14.42 H new ATOM 0 HB3 MET A 1 -13.478 23.527 34.380 1.00 14.42 H new ATOM 0 HG2 MET A 1 -14.513 21.276 34.842 1.00 11.50 H new ATOM 0 HG3 MET A 1 -13.158 20.905 35.889 1.00 11.50 H new ATOM 0 HE1 MET A 1 -16.087 21.621 38.471 1.00 23.23 H new ATOM 0 HE2 MET A 1 -16.229 20.828 36.885 1.00 23.23 H new ATOM 0 HE3 MET A 1 -14.852 20.452 37.948 1.00 23.23 H new ATOM 20 N GLY A 2 -12.454 23.947 31.922 1.00 34.53 N ATOM 21 CA GLY A 2 -12.019 25.094 31.127 1.00 1.40 C ATOM 22 C GLY A 2 -11.685 24.749 29.688 1.00 1.11 C ATOM 23 O GLY A 2 -10.864 25.430 29.066 1.00 23.15 O ATOM 0 H GLY A 2 -13.466 23.827 31.954 1.00 34.53 H new ATOM 0 HA2 GLY A 2 -12.804 25.850 31.137 1.00 1.40 H new ATOM 0 HA3 GLY A 2 -11.142 25.539 31.597 1.00 1.40 H new ATOM 27 N HIS A 3 -12.330 23.685 29.140 1.00 32.21 N ATOM 28 CA HIS A 3 -12.071 23.221 27.764 1.00 23.31 C ATOM 29 C HIS A 3 -12.563 24.250 26.729 1.00 63.23 C ATOM 30 O HIS A 3 -11.904 24.462 25.719 1.00 23.33 O ATOM 31 CB HIS A 3 -12.671 21.811 27.505 1.00 14.01 C ATOM 32 CG HIS A 3 -14.174 21.691 27.651 1.00 21.43 C ATOM 33 ND1 HIS A 3 -14.787 21.308 28.823 1.00 14.12 N ATOM 34 CD2 HIS A 3 -15.187 21.901 26.764 1.00 63.11 C ATOM 35 CE1 HIS A 3 -16.099 21.285 28.649 1.00 41.32 C ATOM 36 NE2 HIS A 3 -16.364 21.641 27.413 1.00 3.02 N ATOM 0 H HIS A 3 -13.032 23.137 29.636 1.00 32.21 H new ATOM 0 HA HIS A 3 -10.991 23.129 27.649 1.00 23.31 H new ATOM 0 HB2 HIS A 3 -12.398 21.502 26.496 1.00 14.01 H new ATOM 0 HB3 HIS A 3 -12.202 21.107 28.192 1.00 14.01 H new ATOM 0 HD2 HIS A 3 -15.081 22.215 25.736 1.00 63.11 H new ATOM 0 HE1 HIS A 3 -16.830 21.018 29.398 1.00 41.32 H new ATOM 0 HE2 HIS A 3 -17.295 21.712 27.003 1.00 3.02 H new ATOM 45 N HIS A 4 -13.751 24.852 26.986 1.00 2.50 N ATOM 46 CA HIS A 4 -14.302 26.007 26.223 1.00 33.15 C ATOM 47 C HIS A 4 -14.741 25.667 24.766 1.00 22.14 C ATOM 48 O HIS A 4 -15.474 26.450 24.164 1.00 75.21 O ATOM 49 CB HIS A 4 -13.273 27.189 26.234 1.00 31.04 C ATOM 50 CG HIS A 4 -13.687 28.440 25.484 1.00 53.15 C ATOM 51 ND1 HIS A 4 -13.020 28.908 24.363 1.00 30.14 N ATOM 52 CD2 HIS A 4 -14.698 29.318 25.705 1.00 50.33 C ATOM 53 CE1 HIS A 4 -13.602 30.019 23.940 1.00 4.12 C ATOM 54 NE2 HIS A 4 -14.616 30.285 24.732 1.00 71.14 N ATOM 0 H HIS A 4 -14.365 24.546 27.741 1.00 2.50 H new ATOM 0 HA HIS A 4 -15.219 26.301 26.734 1.00 33.15 H new ATOM 0 HB2 HIS A 4 -13.073 27.461 27.271 1.00 31.04 H new ATOM 0 HB3 HIS A 4 -12.334 26.831 25.812 1.00 31.04 H new ATOM 0 HD2 HIS A 4 -15.430 29.266 26.497 1.00 50.33 H new ATOM 0 HE1 HIS A 4 -13.295 30.607 23.088 1.00 4.12 H new ATOM 0 HE2 HIS A 4 -15.244 31.084 24.639 1.00 71.14 H new ATOM 63 N HIS A 5 -14.334 24.489 24.244 1.00 24.42 N ATOM 64 CA HIS A 5 -14.370 24.144 22.796 1.00 65.25 C ATOM 65 C HIS A 5 -13.339 24.992 22.017 1.00 2.41 C ATOM 66 O HIS A 5 -13.537 26.199 21.818 1.00 33.13 O ATOM 67 CB HIS A 5 -15.789 24.263 22.142 1.00 5.25 C ATOM 68 CG HIS A 5 -16.797 23.244 22.609 1.00 75.11 C ATOM 69 ND1 HIS A 5 -17.968 23.582 23.252 1.00 73.03 N ATOM 70 CD2 HIS A 5 -16.825 21.895 22.485 1.00 5.34 C ATOM 71 CE1 HIS A 5 -18.665 22.494 23.504 1.00 44.53 C ATOM 72 NE2 HIS A 5 -17.996 21.461 23.049 1.00 65.32 N ATOM 0 H HIS A 5 -13.964 23.735 24.823 1.00 24.42 H new ATOM 0 HA HIS A 5 -14.106 23.088 22.733 1.00 65.25 H new ATOM 0 HB2 HIS A 5 -16.183 25.259 22.344 1.00 5.25 H new ATOM 0 HB3 HIS A 5 -15.682 24.176 21.061 1.00 5.25 H new ATOM 0 HD2 HIS A 5 -16.066 21.277 22.027 1.00 5.34 H new ATOM 0 HE1 HIS A 5 -19.624 22.458 24.000 1.00 44.53 H new ATOM 0 HE2 HIS A 5 -18.300 20.489 23.106 1.00 65.32 H new ATOM 81 N HIS A 6 -12.240 24.339 21.606 1.00 12.12 N ATOM 82 CA HIS A 6 -11.176 24.938 20.781 1.00 43.42 C ATOM 83 C HIS A 6 -10.362 23.810 20.134 1.00 21.22 C ATOM 84 O HIS A 6 -10.299 22.699 20.675 1.00 65.24 O ATOM 85 CB HIS A 6 -10.245 25.866 21.621 1.00 44.04 C ATOM 86 CG HIS A 6 -9.396 25.161 22.654 1.00 64.32 C ATOM 87 ND1 HIS A 6 -9.739 24.360 23.686 1.00 4.22 N flip ATOM 88 CD2 HIS A 6 -8.021 25.230 22.682 1.00 31.14 C flip ATOM 89 CE1 HIS A 6 -8.587 23.979 24.313 1.00 35.11 C flip ATOM 90 NE2 HIS A 6 -7.565 24.517 23.692 1.00 15.41 N flip ATOM 0 H HIS A 6 -12.062 23.363 21.841 1.00 12.12 H new ATOM 0 HA HIS A 6 -11.636 25.559 20.013 1.00 43.42 H new ATOM 0 HB2 HIS A 6 -9.587 26.406 20.940 1.00 44.04 H new ATOM 0 HB3 HIS A 6 -10.861 26.610 22.126 1.00 44.04 H new ATOM 0 HD1 HIS A 6 -10.686 24.089 23.949 1.00 4.22 H new ATOM 0 HD2 HIS A 6 -7.410 25.783 21.984 1.00 31.14 H new ATOM 0 HE1 HIS A 6 -8.527 23.338 25.180 1.00 35.11 H new ATOM 99 N HIS A 7 -9.773 24.100 18.970 1.00 13.33 N ATOM 100 CA HIS A 7 -8.890 23.175 18.240 1.00 65.44 C ATOM 101 C HIS A 7 -8.227 23.931 17.082 1.00 14.25 C ATOM 102 O HIS A 7 -8.916 24.432 16.193 1.00 71.02 O ATOM 103 CB HIS A 7 -9.652 21.912 17.738 1.00 63.03 C ATOM 104 CG HIS A 7 -10.933 22.169 16.978 1.00 40.11 C ATOM 105 ND1 HIS A 7 -12.146 22.368 17.608 1.00 31.55 N ATOM 106 CD2 HIS A 7 -11.194 22.235 15.648 1.00 1.23 C ATOM 107 CE1 HIS A 7 -13.088 22.538 16.707 1.00 21.14 C ATOM 108 NE2 HIS A 7 -12.539 22.467 15.516 1.00 55.41 N ATOM 0 H HIS A 7 -9.896 24.996 18.499 1.00 13.33 H new ATOM 0 HA HIS A 7 -8.121 22.811 18.921 1.00 65.44 H new ATOM 0 HB2 HIS A 7 -8.982 21.338 17.098 1.00 63.03 H new ATOM 0 HB3 HIS A 7 -9.883 21.286 18.599 1.00 63.03 H new ATOM 0 HD2 HIS A 7 -10.479 22.126 14.846 1.00 1.23 H new ATOM 0 HE1 HIS A 7 -14.135 22.707 16.911 1.00 21.14 H new ATOM 0 HE2 HIS A 7 -13.036 22.569 14.631 1.00 55.41 H new ATOM 117 N HIS A 8 -6.881 24.026 17.109 1.00 42.23 N ATOM 118 CA HIS A 8 -6.109 24.771 16.102 1.00 45.33 C ATOM 119 C HIS A 8 -5.989 23.958 14.800 1.00 73.43 C ATOM 120 O HIS A 8 -4.958 23.334 14.508 1.00 43.45 O ATOM 121 CB HIS A 8 -4.715 25.186 16.656 1.00 42.32 C ATOM 122 CG HIS A 8 -3.950 26.119 15.749 1.00 71.31 C ATOM 123 ND1 HIS A 8 -2.718 25.821 15.208 1.00 34.13 N ATOM 124 CD2 HIS A 8 -4.265 27.353 15.287 1.00 30.34 C ATOM 125 CE1 HIS A 8 -2.315 26.827 14.458 1.00 1.35 C ATOM 126 NE2 HIS A 8 -3.233 27.766 14.490 1.00 41.32 N ATOM 0 H HIS A 8 -6.304 23.589 17.828 1.00 42.23 H new ATOM 0 HA HIS A 8 -6.646 25.690 15.869 1.00 45.33 H new ATOM 0 HB2 HIS A 8 -4.848 25.666 17.626 1.00 42.32 H new ATOM 0 HB3 HIS A 8 -4.120 24.289 16.824 1.00 42.32 H new ATOM 0 HD2 HIS A 8 -5.165 27.908 15.507 1.00 30.34 H new ATOM 0 HE1 HIS A 8 -1.386 26.872 13.909 1.00 1.35 H new ATOM 0 HE2 HIS A 8 -3.184 28.659 14.000 1.00 41.32 H new ATOM 135 N SER A 9 -7.086 23.953 14.049 1.00 23.12 N ATOM 136 CA SER A 9 -7.181 23.275 12.766 1.00 40.15 C ATOM 137 C SER A 9 -8.222 24.016 11.933 1.00 60.12 C ATOM 138 O SER A 9 -9.432 23.854 12.129 1.00 54.31 O ATOM 139 CB SER A 9 -7.543 21.781 12.940 1.00 51.12 C ATOM 140 OG SER A 9 -7.553 21.093 11.696 1.00 31.31 O ATOM 0 H SER A 9 -7.946 24.428 14.322 1.00 23.12 H new ATOM 0 HA SER A 9 -6.217 23.291 12.258 1.00 40.15 H new ATOM 0 HB2 SER A 9 -6.826 21.309 13.611 1.00 51.12 H new ATOM 0 HB3 SER A 9 -8.523 21.697 13.410 1.00 51.12 H new ATOM 0 HG SER A 9 -7.784 20.152 11.844 1.00 31.31 H new ATOM 146 N HIS A 10 -7.730 24.888 11.052 1.00 50.40 N ATOM 147 CA HIS A 10 -8.560 25.724 10.184 1.00 2.41 C ATOM 148 C HIS A 10 -7.912 25.766 8.803 1.00 12.22 C ATOM 149 O HIS A 10 -6.690 25.969 8.706 1.00 61.10 O ATOM 150 CB HIS A 10 -8.679 27.155 10.777 1.00 50.24 C ATOM 151 CG HIS A 10 -9.574 28.084 9.996 1.00 74.22 C ATOM 152 ND1 HIS A 10 -9.105 28.996 9.070 1.00 65.22 N ATOM 153 CD2 HIS A 10 -10.918 28.241 10.018 1.00 54.31 C ATOM 154 CE1 HIS A 10 -10.121 29.664 8.561 1.00 64.11 C ATOM 155 NE2 HIS A 10 -11.226 29.227 9.119 1.00 1.34 N ATOM 0 H HIS A 10 -6.729 25.035 10.920 1.00 50.40 H new ATOM 0 HA HIS A 10 -9.565 25.310 10.107 1.00 2.41 H new ATOM 0 HB2 HIS A 10 -9.055 27.081 11.797 1.00 50.24 H new ATOM 0 HB3 HIS A 10 -7.683 27.594 10.835 1.00 50.24 H new ATOM 0 HD2 HIS A 10 -11.617 27.691 10.630 1.00 54.31 H new ATOM 0 HE1 HIS A 10 -10.055 30.439 7.812 1.00 64.11 H new ATOM 0 HE2 HIS A 10 -12.165 29.568 8.915 1.00 1.34 H new ATOM 164 N MET A 11 -8.721 25.550 7.749 1.00 71.20 N ATOM 165 CA MET A 11 -8.262 25.611 6.361 1.00 13.34 C ATOM 166 C MET A 11 -7.915 27.069 5.997 1.00 70.24 C ATOM 167 O MET A 11 -8.761 27.827 5.513 1.00 4.24 O ATOM 168 CB MET A 11 -9.341 25.049 5.390 1.00 41.30 C ATOM 169 CG MET A 11 -9.840 23.635 5.719 1.00 62.05 C ATOM 170 SD MET A 11 -8.530 22.394 5.660 1.00 45.32 S ATOM 171 CE MET A 11 -9.433 20.916 6.134 1.00 53.54 C ATOM 0 H MET A 11 -9.712 25.328 7.843 1.00 71.20 H new ATOM 0 HA MET A 11 -7.370 24.992 6.260 1.00 13.34 H new ATOM 0 HB2 MET A 11 -10.194 25.727 5.388 1.00 41.30 H new ATOM 0 HB3 MET A 11 -8.933 25.047 4.379 1.00 41.30 H new ATOM 0 HG2 MET A 11 -10.288 23.636 6.713 1.00 62.05 H new ATOM 0 HG3 MET A 11 -10.626 23.360 5.015 1.00 62.05 H new ATOM 0 HE1 MET A 11 -8.755 20.063 6.143 1.00 53.54 H new ATOM 0 HE2 MET A 11 -9.858 21.052 7.129 1.00 53.54 H new ATOM 0 HE3 MET A 11 -10.235 20.735 5.419 1.00 53.54 H new ATOM 181 N GLN A 12 -6.680 27.468 6.333 1.00 74.40 N ATOM 182 CA GLN A 12 -6.103 28.762 5.907 1.00 22.43 C ATOM 183 C GLN A 12 -5.664 28.675 4.434 1.00 23.24 C ATOM 184 O GLN A 12 -5.501 29.686 3.748 1.00 25.11 O ATOM 185 CB GLN A 12 -4.906 29.155 6.818 1.00 2.20 C ATOM 186 CG GLN A 12 -3.717 28.167 6.792 1.00 2.33 C ATOM 187 CD GLN A 12 -2.552 28.570 7.710 1.00 15.21 C ATOM 188 OE1 GLN A 12 -2.749 29.207 8.747 1.00 70.02 O ATOM 189 NE2 GLN A 12 -1.334 28.187 7.344 1.00 51.03 N ATOM 0 H GLN A 12 -6.050 26.908 6.907 1.00 74.40 H new ATOM 0 HA GLN A 12 -6.863 29.537 6.002 1.00 22.43 H new ATOM 0 HB2 GLN A 12 -4.548 30.140 6.518 1.00 2.20 H new ATOM 0 HB3 GLN A 12 -5.263 29.244 7.844 1.00 2.20 H new ATOM 0 HG2 GLN A 12 -4.072 27.179 7.084 1.00 2.33 H new ATOM 0 HG3 GLN A 12 -3.349 28.084 5.769 1.00 2.33 H new ATOM 0 HE21 GLN A 12 -1.203 27.661 6.480 1.00 51.03 H new ATOM 0 HE22 GLN A 12 -0.530 28.419 7.927 1.00 51.03 H new ATOM 198 N GLU A 13 -5.515 27.428 3.967 1.00 55.42 N ATOM 199 CA GLU A 13 -5.060 27.082 2.622 1.00 71.43 C ATOM 200 C GLU A 13 -5.812 25.836 2.143 1.00 34.02 C ATOM 201 O GLU A 13 -6.508 25.166 2.933 1.00 11.00 O ATOM 202 CB GLU A 13 -3.525 26.858 2.653 1.00 72.45 C ATOM 203 CG GLU A 13 -3.058 25.800 3.677 1.00 71.10 C ATOM 204 CD GLU A 13 -1.535 25.758 3.857 1.00 22.32 C ATOM 205 OE1 GLU A 13 -0.997 26.559 4.653 1.00 11.20 O ATOM 206 OE2 GLU A 13 -0.866 24.912 3.228 1.00 52.21 O ATOM 0 H GLU A 13 -5.716 26.607 4.538 1.00 55.42 H new ATOM 0 HA GLU A 13 -5.269 27.889 1.920 1.00 71.43 H new ATOM 0 HB2 GLU A 13 -3.193 26.556 1.659 1.00 72.45 H new ATOM 0 HB3 GLU A 13 -3.036 27.806 2.878 1.00 72.45 H new ATOM 0 HG2 GLU A 13 -3.525 26.006 4.640 1.00 71.10 H new ATOM 0 HG3 GLU A 13 -3.406 24.818 3.358 1.00 71.10 H new ATOM 213 N LEU A 14 -5.678 25.547 0.846 1.00 40.22 N ATOM 214 CA LEU A 14 -6.382 24.433 0.199 1.00 11.41 C ATOM 215 C LEU A 14 -5.510 23.884 -0.945 1.00 42.14 C ATOM 216 O LEU A 14 -4.978 24.677 -1.719 1.00 60.40 O ATOM 217 CB LEU A 14 -7.756 24.917 -0.360 1.00 33.10 C ATOM 218 CG LEU A 14 -8.790 23.800 -0.700 1.00 31.43 C ATOM 219 CD1 LEU A 14 -9.260 23.102 0.583 1.00 72.14 C ATOM 220 CD2 LEU A 14 -9.982 24.355 -1.501 1.00 3.22 C ATOM 0 H LEU A 14 -5.079 26.078 0.214 1.00 40.22 H new ATOM 0 HA LEU A 14 -6.565 23.645 0.930 1.00 11.41 H new ATOM 0 HB2 LEU A 14 -8.206 25.590 0.370 1.00 33.10 H new ATOM 0 HB3 LEU A 14 -7.573 25.501 -1.262 1.00 33.10 H new ATOM 0 HG LEU A 14 -8.295 23.063 -1.333 1.00 31.43 H new ATOM 0 HD11 LEU A 14 -9.981 22.325 0.331 1.00 72.14 H new ATOM 0 HD12 LEU A 14 -8.404 22.653 1.087 1.00 72.14 H new ATOM 0 HD13 LEU A 14 -9.729 23.832 1.243 1.00 72.14 H new ATOM 0 HD21 LEU A 14 -10.681 23.548 -1.719 1.00 3.22 H new ATOM 0 HD22 LEU A 14 -10.487 25.124 -0.916 1.00 3.22 H new ATOM 0 HD23 LEU A 14 -9.623 24.787 -2.435 1.00 3.22 H new ATOM 232 N PRO A 15 -5.342 22.529 -1.078 1.00 34.44 N ATOM 233 CA PRO A 15 -4.630 21.920 -2.228 1.00 23.45 C ATOM 234 C PRO A 15 -5.294 22.307 -3.564 1.00 20.41 C ATOM 235 O PRO A 15 -6.489 22.054 -3.758 1.00 72.04 O ATOM 236 CB PRO A 15 -4.726 20.396 -1.953 1.00 1.41 C ATOM 237 CG PRO A 15 -4.949 20.300 -0.471 1.00 33.41 C ATOM 238 CD PRO A 15 -5.806 21.488 -0.121 1.00 53.41 C ATOM 0 HA PRO A 15 -3.598 22.260 -2.319 1.00 23.45 H new ATOM 0 HB2 PRO A 15 -5.546 19.942 -2.509 1.00 1.41 H new ATOM 0 HB3 PRO A 15 -3.814 19.879 -2.252 1.00 1.41 H new ATOM 0 HG2 PRO A 15 -5.445 19.366 -0.207 1.00 33.41 H new ATOM 0 HG3 PRO A 15 -4.004 20.323 0.071 1.00 33.41 H new ATOM 0 HD2 PRO A 15 -6.867 21.271 -0.244 1.00 53.41 H new ATOM 0 HD3 PRO A 15 -5.662 21.798 0.914 1.00 53.41 H new ATOM 246 N ASP A 16 -4.526 22.947 -4.450 1.00 0.33 N ATOM 247 CA ASP A 16 -5.017 23.400 -5.763 1.00 44.34 C ATOM 248 C ASP A 16 -5.189 22.217 -6.729 1.00 52.43 C ATOM 249 O ASP A 16 -4.773 21.086 -6.424 1.00 64.50 O ATOM 250 CB ASP A 16 -4.071 24.477 -6.356 1.00 22.51 C ATOM 251 CG ASP A 16 -2.637 23.978 -6.605 1.00 5.21 C ATOM 252 OD1 ASP A 16 -1.826 24.002 -5.655 1.00 55.23 O ATOM 253 OD2 ASP A 16 -2.319 23.573 -7.742 1.00 3.02 O ATOM 0 H ASP A 16 -3.545 23.168 -4.281 1.00 0.33 H new ATOM 0 HA ASP A 16 -5.999 23.852 -5.622 1.00 44.34 H new ATOM 0 HB2 ASP A 16 -4.489 24.836 -7.297 1.00 22.51 H new ATOM 0 HB3 ASP A 16 -4.036 25.329 -5.677 1.00 22.51 H new ATOM 258 N SER A 17 -5.812 22.500 -7.884 1.00 34.04 N ATOM 259 CA SER A 17 -6.111 21.494 -8.909 1.00 65.13 C ATOM 260 C SER A 17 -4.796 20.958 -9.547 1.00 41.51 C ATOM 261 O SER A 17 -4.299 21.513 -10.539 1.00 54.04 O ATOM 262 CB SER A 17 -7.059 22.117 -9.967 1.00 65.54 C ATOM 263 OG SER A 17 -7.442 21.180 -10.964 1.00 22.13 O ATOM 0 H SER A 17 -6.123 23.439 -8.132 1.00 34.04 H new ATOM 0 HA SER A 17 -6.614 20.639 -8.457 1.00 65.13 H new ATOM 0 HB2 SER A 17 -7.950 22.502 -9.472 1.00 65.54 H new ATOM 0 HB3 SER A 17 -6.565 22.966 -10.440 1.00 65.54 H new ATOM 0 HG SER A 17 -8.040 21.614 -11.608 1.00 22.13 H new ATOM 269 N GLY A 18 -4.227 19.897 -8.936 1.00 72.30 N ATOM 270 CA GLY A 18 -2.960 19.302 -9.381 1.00 75.42 C ATOM 271 C GLY A 18 -2.914 17.790 -9.161 1.00 11.32 C ATOM 272 O GLY A 18 -3.581 17.262 -8.267 1.00 74.51 O ATOM 0 H GLY A 18 -4.635 19.434 -8.124 1.00 72.30 H new ATOM 0 HA2 GLY A 18 -2.814 19.516 -10.440 1.00 75.42 H new ATOM 0 HA3 GLY A 18 -2.135 19.769 -8.844 1.00 75.42 H new ATOM 276 N ALA A 19 -2.117 17.100 -9.994 1.00 4.43 N ATOM 277 CA ALA A 19 -2.009 15.628 -9.997 1.00 33.33 C ATOM 278 C ALA A 19 -1.345 15.086 -8.717 1.00 10.41 C ATOM 279 O ALA A 19 -0.458 15.725 -8.156 1.00 60.25 O ATOM 280 CB ALA A 19 -1.245 15.164 -11.247 1.00 63.53 C ATOM 0 H ALA A 19 -1.524 17.550 -10.691 1.00 4.43 H new ATOM 0 HA ALA A 19 -3.020 15.222 -10.020 1.00 33.33 H new ATOM 0 HB1 ALA A 19 -1.168 14.077 -11.244 1.00 63.53 H new ATOM 0 HB2 ALA A 19 -1.779 15.488 -12.141 1.00 63.53 H new ATOM 0 HB3 ALA A 19 -0.245 15.598 -11.244 1.00 63.53 H new ATOM 286 N LEU A 20 -1.805 13.904 -8.271 1.00 44.01 N ATOM 287 CA LEU A 20 -1.275 13.220 -7.082 1.00 51.14 C ATOM 288 C LEU A 20 0.111 12.629 -7.411 1.00 70.53 C ATOM 289 O LEU A 20 0.206 11.609 -8.110 1.00 65.53 O ATOM 290 CB LEU A 20 -2.245 12.090 -6.637 1.00 70.24 C ATOM 291 CG LEU A 20 -1.997 11.491 -5.213 1.00 44.10 C ATOM 292 CD1 LEU A 20 -2.641 12.369 -4.129 1.00 72.51 C ATOM 293 CD2 LEU A 20 -2.491 10.037 -5.114 1.00 33.34 C ATOM 0 H LEU A 20 -2.560 13.394 -8.730 1.00 44.01 H new ATOM 0 HA LEU A 20 -1.180 13.936 -6.266 1.00 51.14 H new ATOM 0 HB2 LEU A 20 -3.263 12.478 -6.674 1.00 70.24 H new ATOM 0 HB3 LEU A 20 -2.186 11.281 -7.365 1.00 70.24 H new ATOM 0 HG LEU A 20 -0.920 11.480 -5.045 1.00 44.10 H new ATOM 0 HD11 LEU A 20 -2.455 11.931 -3.148 1.00 72.51 H new ATOM 0 HD12 LEU A 20 -2.210 13.370 -4.168 1.00 72.51 H new ATOM 0 HD13 LEU A 20 -3.716 12.430 -4.301 1.00 72.51 H new ATOM 0 HD21 LEU A 20 -2.301 9.656 -4.111 1.00 33.34 H new ATOM 0 HD22 LEU A 20 -3.561 10.001 -5.320 1.00 33.34 H new ATOM 0 HD23 LEU A 20 -1.961 9.422 -5.842 1.00 33.34 H new ATOM 305 N MET A 21 1.174 13.289 -6.938 1.00 44.21 N ATOM 306 CA MET A 21 2.562 12.900 -7.241 1.00 65.12 C ATOM 307 C MET A 21 3.229 12.444 -5.944 1.00 53.23 C ATOM 308 O MET A 21 3.611 13.273 -5.108 1.00 0.31 O ATOM 309 CB MET A 21 3.313 14.094 -7.911 1.00 64.24 C ATOM 310 CG MET A 21 4.712 13.761 -8.474 1.00 13.50 C ATOM 311 SD MET A 21 5.997 13.590 -7.209 1.00 1.42 S ATOM 312 CE MET A 21 6.038 15.249 -6.523 1.00 55.12 C ATOM 0 H MET A 21 1.100 14.108 -6.334 1.00 44.21 H new ATOM 0 HA MET A 21 2.590 12.072 -7.950 1.00 65.12 H new ATOM 0 HB2 MET A 21 2.696 14.481 -8.722 1.00 64.24 H new ATOM 0 HB3 MET A 21 3.415 14.895 -7.178 1.00 64.24 H new ATOM 0 HG2 MET A 21 4.651 12.833 -9.043 1.00 13.50 H new ATOM 0 HG3 MET A 21 5.007 14.544 -9.172 1.00 13.50 H new ATOM 0 HE1 MET A 21 7.034 15.672 -6.654 1.00 55.12 H new ATOM 0 HE2 MET A 21 5.308 15.874 -7.037 1.00 55.12 H new ATOM 0 HE3 MET A 21 5.798 15.209 -5.461 1.00 55.12 H new ATOM 322 N LEU A 22 3.323 11.115 -5.779 1.00 31.33 N ATOM 323 CA LEU A 22 3.805 10.471 -4.546 1.00 22.21 C ATOM 324 C LEU A 22 5.330 10.590 -4.413 1.00 11.32 C ATOM 325 O LEU A 22 6.074 10.193 -5.313 1.00 60.34 O ATOM 326 CB LEU A 22 3.377 8.971 -4.548 1.00 3.30 C ATOM 327 CG LEU A 22 1.840 8.709 -4.614 1.00 32.41 C ATOM 328 CD1 LEU A 22 1.546 7.224 -4.891 1.00 64.52 C ATOM 329 CD2 LEU A 22 1.137 9.186 -3.331 1.00 33.35 C ATOM 0 H LEU A 22 3.063 10.449 -6.507 1.00 31.33 H new ATOM 0 HA LEU A 22 3.360 10.979 -3.691 1.00 22.21 H new ATOM 0 HB2 LEU A 22 3.848 8.478 -5.398 1.00 3.30 H new ATOM 0 HB3 LEU A 22 3.770 8.498 -3.648 1.00 3.30 H new ATOM 0 HG LEU A 22 1.438 9.290 -5.444 1.00 32.41 H new ATOM 0 HD11 LEU A 22 0.468 7.068 -4.932 1.00 64.52 H new ATOM 0 HD12 LEU A 22 1.991 6.937 -5.844 1.00 64.52 H new ATOM 0 HD13 LEU A 22 1.971 6.614 -4.094 1.00 64.52 H new ATOM 0 HD21 LEU A 22 0.068 8.990 -3.408 1.00 33.35 H new ATOM 0 HD22 LEU A 22 1.544 8.651 -2.473 1.00 33.35 H new ATOM 0 HD23 LEU A 22 1.301 10.256 -3.202 1.00 33.35 H new ATOM 341 N VAL A 23 5.783 11.182 -3.300 1.00 23.22 N ATOM 342 CA VAL A 23 7.200 11.171 -2.890 1.00 4.24 C ATOM 343 C VAL A 23 7.422 10.008 -1.896 1.00 50.52 C ATOM 344 O VAL A 23 6.462 9.579 -1.235 1.00 12.13 O ATOM 345 CB VAL A 23 7.643 12.563 -2.283 1.00 23.42 C ATOM 346 CG1 VAL A 23 7.426 13.694 -3.309 1.00 22.11 C ATOM 347 CG2 VAL A 23 6.937 12.891 -0.951 1.00 31.34 C ATOM 0 H VAL A 23 5.176 11.686 -2.653 1.00 23.22 H new ATOM 0 HA VAL A 23 7.828 11.013 -3.766 1.00 4.24 H new ATOM 0 HB VAL A 23 8.707 12.483 -2.058 1.00 23.42 H new ATOM 0 HG11 VAL A 23 7.736 14.644 -2.874 1.00 22.11 H new ATOM 0 HG12 VAL A 23 8.018 13.493 -4.202 1.00 22.11 H new ATOM 0 HG13 VAL A 23 6.371 13.745 -3.577 1.00 22.11 H new ATOM 0 HG21 VAL A 23 7.282 13.858 -0.585 1.00 31.34 H new ATOM 0 HG22 VAL A 23 5.859 12.927 -1.110 1.00 31.34 H new ATOM 0 HG23 VAL A 23 7.170 12.120 -0.216 1.00 31.34 H new ATOM 357 N PRO A 24 8.678 9.447 -1.782 1.00 23.31 N ATOM 358 CA PRO A 24 8.954 8.262 -0.918 1.00 65.45 C ATOM 359 C PRO A 24 8.685 8.527 0.576 1.00 32.53 C ATOM 360 O PRO A 24 8.516 7.573 1.345 1.00 75.32 O ATOM 361 CB PRO A 24 10.451 7.960 -1.182 1.00 12.01 C ATOM 362 CG PRO A 24 11.019 9.254 -1.680 1.00 63.31 C ATOM 363 CD PRO A 24 9.912 9.889 -2.488 1.00 44.25 C ATOM 0 HA PRO A 24 8.297 7.426 -1.157 1.00 65.45 H new ATOM 0 HB2 PRO A 24 10.955 7.630 -0.273 1.00 12.01 H new ATOM 0 HB3 PRO A 24 10.571 7.166 -1.919 1.00 12.01 H new ATOM 0 HG2 PRO A 24 11.320 9.896 -0.852 1.00 63.31 H new ATOM 0 HG3 PRO A 24 11.905 9.085 -2.291 1.00 63.31 H new ATOM 0 HD2 PRO A 24 9.999 10.975 -2.505 1.00 44.25 H new ATOM 0 HD3 PRO A 24 9.926 9.552 -3.524 1.00 44.25 H new ATOM 371 N ASN A 25 8.670 9.837 0.950 1.00 14.31 N ATOM 372 CA ASN A 25 8.359 10.322 2.313 1.00 31.24 C ATOM 373 C ASN A 25 9.480 9.937 3.314 1.00 33.01 C ATOM 374 O ASN A 25 10.298 9.058 3.034 1.00 20.02 O ATOM 375 CB ASN A 25 6.947 9.807 2.774 1.00 12.02 C ATOM 376 CG ASN A 25 6.456 10.390 4.106 1.00 40.54 C ATOM 377 OD1 ASN A 25 6.755 11.534 4.454 1.00 74.40 O ATOM 378 ND2 ASN A 25 5.717 9.601 4.869 1.00 22.45 N ATOM 0 H ASN A 25 8.878 10.593 0.297 1.00 14.31 H new ATOM 0 HA ASN A 25 8.317 11.411 2.292 1.00 31.24 H new ATOM 0 HB2 ASN A 25 6.218 10.043 1.999 1.00 12.02 H new ATOM 0 HB3 ASN A 25 6.981 8.721 2.859 1.00 12.02 H new ATOM 0 HD21 ASN A 25 5.379 9.935 5.771 1.00 22.45 H new ATOM 0 HD22 ASN A 25 5.485 8.659 4.555 1.00 22.45 H new ATOM 385 N ARG A 26 9.535 10.626 4.461 1.00 35.51 N ATOM 386 CA ARG A 26 10.421 10.254 5.576 1.00 11.11 C ATOM 387 C ARG A 26 10.024 8.872 6.126 1.00 44.05 C ATOM 388 O ARG A 26 8.843 8.489 6.087 1.00 51.32 O ATOM 389 CB ARG A 26 10.363 11.328 6.675 1.00 45.04 C ATOM 390 CG ARG A 26 11.156 12.603 6.330 1.00 3.22 C ATOM 391 CD ARG A 26 10.906 13.735 7.325 1.00 43.42 C ATOM 392 NE ARG A 26 9.512 14.227 7.243 1.00 4.14 N ATOM 393 CZ ARG A 26 8.639 14.295 8.263 1.00 11.22 C ATOM 394 NH1 ARG A 26 8.973 13.895 9.485 1.00 11.30 N ATOM 395 NH2 ARG A 26 7.420 14.763 8.046 1.00 22.13 N ATOM 0 H ARG A 26 8.969 11.455 4.644 1.00 35.51 H new ATOM 0 HA ARG A 26 11.448 10.193 5.216 1.00 11.11 H new ATOM 0 HB2 ARG A 26 9.322 11.595 6.857 1.00 45.04 H new ATOM 0 HB3 ARG A 26 10.751 10.908 7.603 1.00 45.04 H new ATOM 0 HG2 ARG A 26 12.221 12.370 6.309 1.00 3.22 H new ATOM 0 HG3 ARG A 26 10.883 12.937 5.329 1.00 3.22 H new ATOM 0 HD2 ARG A 26 11.111 13.384 8.337 1.00 43.42 H new ATOM 0 HD3 ARG A 26 11.596 14.555 7.126 1.00 43.42 H new ATOM 0 HE ARG A 26 9.184 14.543 6.330 1.00 4.14 H new ATOM 0 HH11 ARG A 26 9.908 13.527 9.664 1.00 11.30 H new ATOM 0 HH12 ARG A 26 8.295 13.955 10.245 1.00 11.30 H new ATOM 0 HH21 ARG A 26 7.150 15.068 7.111 1.00 22.13 H new ATOM 0 HH22 ARG A 26 6.751 14.818 8.814 1.00 22.13 H new ATOM 409 N GLN A 27 11.029 8.151 6.640 1.00 73.42 N ATOM 410 CA GLN A 27 10.896 6.753 7.067 1.00 24.13 C ATOM 411 C GLN A 27 9.967 6.641 8.286 1.00 75.32 C ATOM 412 O GLN A 27 10.362 6.954 9.413 1.00 35.30 O ATOM 413 CB GLN A 27 12.293 6.102 7.342 1.00 4.45 C ATOM 414 CG GLN A 27 13.179 5.881 6.078 1.00 2.32 C ATOM 415 CD GLN A 27 13.728 7.168 5.453 1.00 3.25 C ATOM 416 OE1 GLN A 27 13.104 7.775 4.585 1.00 1.01 O ATOM 417 NE2 GLN A 27 14.898 7.600 5.907 1.00 12.04 N ATOM 0 H GLN A 27 11.968 8.527 6.772 1.00 73.42 H new ATOM 0 HA GLN A 27 10.440 6.194 6.250 1.00 24.13 H new ATOM 0 HB2 GLN A 27 12.839 6.733 8.044 1.00 4.45 H new ATOM 0 HB3 GLN A 27 12.139 5.140 7.831 1.00 4.45 H new ATOM 0 HG2 GLN A 27 14.016 5.236 6.345 1.00 2.32 H new ATOM 0 HG3 GLN A 27 12.594 5.349 5.328 1.00 2.32 H new ATOM 0 HE21 GLN A 27 15.391 7.073 6.628 1.00 12.04 H new ATOM 0 HE22 GLN A 27 15.304 8.459 5.535 1.00 12.04 H new ATOM 426 N LEU A 28 8.712 6.236 8.020 1.00 72.10 N ATOM 427 CA LEU A 28 7.695 6.023 9.050 1.00 63.14 C ATOM 428 C LEU A 28 7.995 4.718 9.793 1.00 32.12 C ATOM 429 O LEU A 28 8.334 3.714 9.162 1.00 53.34 O ATOM 430 CB LEU A 28 6.275 5.986 8.415 1.00 43.20 C ATOM 431 CG LEU A 28 5.830 7.280 7.666 1.00 30.54 C ATOM 432 CD1 LEU A 28 4.408 7.139 7.091 1.00 63.10 C ATOM 433 CD2 LEU A 28 5.920 8.504 8.582 1.00 24.44 C ATOM 0 H LEU A 28 8.379 6.048 7.075 1.00 72.10 H new ATOM 0 HA LEU A 28 7.719 6.850 9.760 1.00 63.14 H new ATOM 0 HB2 LEU A 28 6.233 5.151 7.715 1.00 43.20 H new ATOM 0 HB3 LEU A 28 5.551 5.778 9.203 1.00 43.20 H new ATOM 0 HG LEU A 28 6.516 7.424 6.831 1.00 30.54 H new ATOM 0 HD11 LEU A 28 4.131 8.059 6.576 1.00 63.10 H new ATOM 0 HD12 LEU A 28 4.381 6.307 6.387 1.00 63.10 H new ATOM 0 HD13 LEU A 28 3.705 6.951 7.902 1.00 63.10 H new ATOM 0 HD21 LEU A 28 5.604 9.392 8.035 1.00 24.44 H new ATOM 0 HD22 LEU A 28 5.271 8.360 9.446 1.00 24.44 H new ATOM 0 HD23 LEU A 28 6.949 8.632 8.918 1.00 24.44 H new ATOM 445 N THR A 29 7.906 4.741 11.123 1.00 55.45 N ATOM 446 CA THR A 29 8.117 3.545 11.953 1.00 71.54 C ATOM 447 C THR A 29 6.868 2.652 11.916 1.00 44.24 C ATOM 448 O THR A 29 5.781 3.129 11.577 1.00 22.43 O ATOM 449 CB THR A 29 8.450 3.948 13.426 1.00 62.44 C ATOM 450 OG1 THR A 29 7.361 4.690 13.991 1.00 54.42 O ATOM 451 CG2 THR A 29 9.731 4.797 13.496 1.00 14.44 C ATOM 0 H THR A 29 7.687 5.582 11.657 1.00 55.45 H new ATOM 0 HA THR A 29 8.963 2.988 11.550 1.00 71.54 H new ATOM 0 HB THR A 29 8.608 3.031 13.994 1.00 62.44 H new ATOM 0 HG1 THR A 29 7.637 5.072 14.850 1.00 54.42 H new ATOM 0 HG21 THR A 29 9.936 5.061 14.533 1.00 14.44 H new ATOM 0 HG22 THR A 29 10.568 4.226 13.095 1.00 14.44 H new ATOM 0 HG23 THR A 29 9.598 5.706 12.909 1.00 14.44 H new ATOM 459 N ALA A 30 7.045 1.360 12.241 1.00 25.25 N ATOM 460 CA ALA A 30 5.920 0.420 12.420 1.00 21.33 C ATOM 461 C ALA A 30 5.019 0.866 13.581 1.00 3.11 C ATOM 462 O ALA A 30 3.826 0.591 13.563 1.00 12.02 O ATOM 463 CB ALA A 30 6.418 -1.015 12.630 1.00 21.24 C ATOM 0 H ALA A 30 7.962 0.939 12.386 1.00 25.25 H new ATOM 0 HA ALA A 30 5.327 0.431 11.505 1.00 21.33 H new ATOM 0 HB1 ALA A 30 5.565 -1.681 12.758 1.00 21.24 H new ATOM 0 HB2 ALA A 30 6.997 -1.330 11.762 1.00 21.24 H new ATOM 0 HB3 ALA A 30 7.047 -1.055 13.519 1.00 21.24 H new ATOM 469 N ASP A 31 5.612 1.563 14.582 1.00 42.43 N ATOM 470 CA ASP A 31 4.857 2.215 15.670 1.00 71.21 C ATOM 471 C ASP A 31 3.898 3.276 15.108 1.00 22.43 C ATOM 472 O ASP A 31 2.719 3.310 15.477 1.00 61.12 O ATOM 473 CB ASP A 31 5.804 2.902 16.695 1.00 70.14 C ATOM 474 CG ASP A 31 6.682 1.936 17.496 1.00 22.44 C ATOM 475 OD1 ASP A 31 6.212 1.412 18.531 1.00 55.21 O ATOM 476 OD2 ASP A 31 7.843 1.703 17.102 1.00 54.04 O ATOM 0 H ASP A 31 6.622 1.686 14.654 1.00 42.43 H new ATOM 0 HA ASP A 31 4.293 1.430 16.174 1.00 71.21 H new ATOM 0 HB2 ASP A 31 6.448 3.602 16.163 1.00 70.14 H new ATOM 0 HB3 ASP A 31 5.203 3.488 17.390 1.00 70.14 H new ATOM 481 N TYR A 32 4.431 4.146 14.225 1.00 74.41 N ATOM 482 CA TYR A 32 3.670 5.256 13.632 1.00 44.13 C ATOM 483 C TYR A 32 2.559 4.718 12.751 1.00 1.31 C ATOM 484 O TYR A 32 1.404 5.125 12.892 1.00 34.25 O ATOM 485 CB TYR A 32 4.587 6.189 12.796 1.00 2.51 C ATOM 486 CG TYR A 32 3.864 7.390 12.156 1.00 50.01 C ATOM 487 CD1 TYR A 32 3.698 8.584 12.857 1.00 71.24 C ATOM 488 CD2 TYR A 32 3.338 7.329 10.854 1.00 41.04 C ATOM 489 CE1 TYR A 32 3.045 9.666 12.292 1.00 34.21 C ATOM 490 CE2 TYR A 32 2.682 8.411 10.289 1.00 73.54 C ATOM 491 CZ TYR A 32 2.539 9.575 11.012 1.00 72.45 C ATOM 492 OH TYR A 32 1.887 10.657 10.455 1.00 52.04 O ATOM 0 H TYR A 32 5.399 4.096 13.906 1.00 74.41 H new ATOM 0 HA TYR A 32 3.242 5.836 14.449 1.00 44.13 H new ATOM 0 HB2 TYR A 32 5.386 6.562 13.437 1.00 2.51 H new ATOM 0 HB3 TYR A 32 5.058 5.603 12.007 1.00 2.51 H new ATOM 0 HD1 TYR A 32 4.087 8.666 13.861 1.00 71.24 H new ATOM 0 HD2 TYR A 32 3.447 6.420 10.282 1.00 41.04 H new ATOM 0 HE1 TYR A 32 2.932 10.582 12.854 1.00 34.21 H new ATOM 0 HE2 TYR A 32 2.285 8.342 9.287 1.00 73.54 H new ATOM 0 HH TYR A 32 1.592 10.430 9.548 1.00 52.04 H new ATOM 502 N PHE A 33 2.944 3.810 11.830 1.00 30.34 N ATOM 503 CA PHE A 33 2.025 3.205 10.867 1.00 53.40 C ATOM 504 C PHE A 33 0.844 2.565 11.615 1.00 45.12 C ATOM 505 O PHE A 33 -0.301 2.818 11.276 1.00 62.14 O ATOM 506 CB PHE A 33 2.752 2.136 10.001 1.00 23.33 C ATOM 507 CG PHE A 33 1.954 1.675 8.773 1.00 60.42 C ATOM 508 CD1 PHE A 33 0.814 0.871 8.895 1.00 5.45 C ATOM 509 CD2 PHE A 33 2.324 2.075 7.494 1.00 73.42 C ATOM 510 CE1 PHE A 33 0.088 0.485 7.786 1.00 4.52 C ATOM 511 CE2 PHE A 33 1.598 1.680 6.391 1.00 75.11 C ATOM 512 CZ PHE A 33 0.477 0.892 6.536 1.00 24.23 C ATOM 0 H PHE A 33 3.905 3.481 11.740 1.00 30.34 H new ATOM 0 HA PHE A 33 1.655 3.985 10.201 1.00 53.40 H new ATOM 0 HB2 PHE A 33 3.707 2.542 9.669 1.00 23.33 H new ATOM 0 HB3 PHE A 33 2.973 1.269 10.623 1.00 23.33 H new ATOM 0 HD1 PHE A 33 0.497 0.547 9.875 1.00 5.45 H new ATOM 0 HD2 PHE A 33 3.192 2.704 7.363 1.00 73.42 H new ATOM 0 HE1 PHE A 33 -0.787 -0.138 7.903 1.00 4.52 H new ATOM 0 HE2 PHE A 33 1.910 1.991 5.405 1.00 75.11 H new ATOM 0 HZ PHE A 33 -0.093 0.596 5.668 1.00 24.23 H new ATOM 522 N GLU A 34 1.178 1.761 12.648 1.00 2.00 N ATOM 523 CA GLU A 34 0.214 1.070 13.522 1.00 11.04 C ATOM 524 C GLU A 34 -0.827 2.041 14.101 1.00 14.53 C ATOM 525 O GLU A 34 -2.021 1.883 13.869 1.00 0.21 O ATOM 526 CB GLU A 34 0.997 0.398 14.691 1.00 11.33 C ATOM 527 CG GLU A 34 0.135 -0.170 15.839 1.00 12.32 C ATOM 528 CD GLU A 34 0.963 -0.490 17.092 1.00 71.32 C ATOM 529 OE1 GLU A 34 1.386 0.470 17.793 1.00 22.13 O ATOM 530 OE2 GLU A 34 1.217 -1.684 17.377 1.00 52.20 O ATOM 0 H GLU A 34 2.148 1.572 12.900 1.00 2.00 H new ATOM 0 HA GLU A 34 -0.318 0.326 12.930 1.00 11.04 H new ATOM 0 HB2 GLU A 34 1.601 -0.411 14.281 1.00 11.33 H new ATOM 0 HB3 GLU A 34 1.688 1.130 15.109 1.00 11.33 H new ATOM 0 HG2 GLU A 34 -0.643 0.549 16.095 1.00 12.32 H new ATOM 0 HG3 GLU A 34 -0.368 -1.075 15.498 1.00 12.32 H new ATOM 537 N LYS A 35 -0.330 3.074 14.789 1.00 5.03 N ATOM 538 CA LYS A 35 -1.168 4.010 15.555 1.00 13.53 C ATOM 539 C LYS A 35 -2.065 4.837 14.632 1.00 54.01 C ATOM 540 O LYS A 35 -3.264 4.954 14.870 1.00 24.50 O ATOM 541 CB LYS A 35 -0.264 4.917 16.420 1.00 74.05 C ATOM 542 CG LYS A 35 0.465 4.145 17.542 1.00 53.24 C ATOM 543 CD LYS A 35 1.519 4.998 18.277 1.00 22.30 C ATOM 544 CE LYS A 35 2.288 4.182 19.326 1.00 2.52 C ATOM 545 NZ LYS A 35 2.892 2.945 18.746 1.00 45.23 N ATOM 0 H LYS A 35 0.666 3.287 14.832 1.00 5.03 H new ATOM 0 HA LYS A 35 -1.827 3.440 16.210 1.00 13.53 H new ATOM 0 HB2 LYS A 35 0.474 5.402 15.781 1.00 74.05 H new ATOM 0 HB3 LYS A 35 -0.869 5.707 16.864 1.00 74.05 H new ATOM 0 HG2 LYS A 35 -0.269 3.785 18.263 1.00 53.24 H new ATOM 0 HG3 LYS A 35 0.950 3.267 17.115 1.00 53.24 H new ATOM 0 HD2 LYS A 35 2.221 5.411 17.552 1.00 22.30 H new ATOM 0 HD3 LYS A 35 1.029 5.842 18.762 1.00 22.30 H new ATOM 0 HE2 LYS A 35 3.075 4.800 19.759 1.00 2.52 H new ATOM 0 HE3 LYS A 35 1.614 3.909 20.138 1.00 2.52 H new ATOM 0 HZ1 LYS A 35 3.751 2.696 19.277 1.00 45.23 H new ATOM 0 HZ2 LYS A 35 2.209 2.163 18.807 1.00 45.23 H new ATOM 0 HZ3 LYS A 35 3.137 3.113 17.749 1.00 45.23 H new ATOM 559 N THR A 36 -1.468 5.369 13.561 1.00 64.44 N ATOM 560 CA THR A 36 -2.182 6.190 12.580 1.00 42.33 C ATOM 561 C THR A 36 -3.250 5.334 11.841 1.00 23.24 C ATOM 562 O THR A 36 -4.378 5.777 11.647 1.00 62.45 O ATOM 563 CB THR A 36 -1.173 6.846 11.574 1.00 34.35 C ATOM 564 OG1 THR A 36 -0.068 7.409 12.306 1.00 24.02 O ATOM 565 CG2 THR A 36 -1.820 7.974 10.746 1.00 50.11 C ATOM 0 H THR A 36 -0.478 5.243 13.350 1.00 64.44 H new ATOM 0 HA THR A 36 -2.699 6.996 13.100 1.00 42.33 H new ATOM 0 HB THR A 36 -0.844 6.062 10.892 1.00 34.35 H new ATOM 0 HG1 THR A 36 0.566 6.699 12.539 1.00 24.02 H new ATOM 0 HG21 THR A 36 -1.081 8.396 10.065 1.00 50.11 H new ATOM 0 HG22 THR A 36 -2.654 7.571 10.172 1.00 50.11 H new ATOM 0 HG23 THR A 36 -2.183 8.754 11.415 1.00 50.11 H new ATOM 573 N TRP A 37 -2.889 4.065 11.524 1.00 1.02 N ATOM 574 CA TRP A 37 -3.787 3.080 10.861 1.00 54.23 C ATOM 575 C TRP A 37 -5.031 2.808 11.736 1.00 41.42 C ATOM 576 O TRP A 37 -6.161 2.873 11.252 1.00 14.45 O ATOM 577 CB TRP A 37 -3.002 1.756 10.572 1.00 43.04 C ATOM 578 CG TRP A 37 -3.782 0.640 9.890 1.00 70.32 C ATOM 579 CD1 TRP A 37 -4.497 -0.360 10.495 1.00 14.01 C ATOM 580 CD2 TRP A 37 -3.896 0.398 8.474 1.00 31.51 C ATOM 581 NE1 TRP A 37 -5.063 -1.176 9.547 1.00 52.35 N ATOM 582 CE2 TRP A 37 -4.700 -0.741 8.302 1.00 31.44 C ATOM 583 CE3 TRP A 37 -3.400 1.037 7.337 1.00 1.41 C ATOM 584 CZ2 TRP A 37 -5.018 -1.252 7.043 1.00 12.41 C ATOM 585 CZ3 TRP A 37 -3.713 0.529 6.090 1.00 25.52 C ATOM 586 CH2 TRP A 37 -4.515 -0.605 5.950 1.00 65.51 C ATOM 0 H TRP A 37 -1.961 3.692 11.722 1.00 1.02 H new ATOM 0 HA TRP A 37 -4.130 3.493 9.912 1.00 54.23 H new ATOM 0 HB2 TRP A 37 -2.140 1.999 9.951 1.00 43.04 H new ATOM 0 HB3 TRP A 37 -2.616 1.375 11.517 1.00 43.04 H new ATOM 0 HD1 TRP A 37 -4.600 -0.488 11.562 1.00 14.01 H new ATOM 0 HE1 TRP A 37 -5.660 -1.980 9.741 1.00 52.35 H new ATOM 0 HE3 TRP A 37 -2.780 1.916 7.430 1.00 1.41 H new ATOM 0 HZ2 TRP A 37 -5.640 -2.128 6.936 1.00 12.41 H new ATOM 0 HZ3 TRP A 37 -3.330 1.019 5.207 1.00 25.52 H new ATOM 0 HH2 TRP A 37 -4.741 -0.977 4.962 1.00 65.51 H new ATOM 597 N LEU A 38 -4.796 2.535 13.034 1.00 51.54 N ATOM 598 CA LEU A 38 -5.863 2.205 14.002 1.00 74.35 C ATOM 599 C LEU A 38 -6.703 3.451 14.357 1.00 64.24 C ATOM 600 O LEU A 38 -7.871 3.326 14.737 1.00 25.43 O ATOM 601 CB LEU A 38 -5.250 1.578 15.288 1.00 71.02 C ATOM 602 CG LEU A 38 -4.421 0.268 15.092 1.00 70.33 C ATOM 603 CD1 LEU A 38 -3.854 -0.246 16.438 1.00 53.04 C ATOM 604 CD2 LEU A 38 -5.240 -0.826 14.378 1.00 20.51 C ATOM 0 H LEU A 38 -3.861 2.537 13.442 1.00 51.54 H new ATOM 0 HA LEU A 38 -6.527 1.477 13.536 1.00 74.35 H new ATOM 0 HB2 LEU A 38 -4.608 2.322 15.759 1.00 71.02 H new ATOM 0 HB3 LEU A 38 -6.060 1.369 15.986 1.00 71.02 H new ATOM 0 HG LEU A 38 -3.577 0.514 14.447 1.00 70.33 H new ATOM 0 HD11 LEU A 38 -3.282 -1.158 16.267 1.00 53.04 H new ATOM 0 HD12 LEU A 38 -3.204 0.513 16.873 1.00 53.04 H new ATOM 0 HD13 LEU A 38 -4.676 -0.455 17.123 1.00 53.04 H new ATOM 0 HD21 LEU A 38 -4.628 -1.720 14.261 1.00 20.51 H new ATOM 0 HD22 LEU A 38 -6.123 -1.065 14.971 1.00 20.51 H new ATOM 0 HD23 LEU A 38 -5.549 -0.467 13.396 1.00 20.51 H new ATOM 616 N SER A 39 -6.088 4.647 14.244 1.00 2.31 N ATOM 617 CA SER A 39 -6.763 5.935 14.499 1.00 75.10 C ATOM 618 C SER A 39 -7.537 6.433 13.261 1.00 50.30 C ATOM 619 O SER A 39 -8.323 7.370 13.372 1.00 35.52 O ATOM 620 CB SER A 39 -5.737 7.004 14.956 1.00 4.00 C ATOM 621 OG SER A 39 -5.133 6.643 16.197 1.00 20.54 O ATOM 0 H SER A 39 -5.110 4.746 13.973 1.00 2.31 H new ATOM 0 HA SER A 39 -7.487 5.771 15.297 1.00 75.10 H new ATOM 0 HB2 SER A 39 -4.966 7.121 14.194 1.00 4.00 H new ATOM 0 HB3 SER A 39 -6.234 7.969 15.058 1.00 4.00 H new ATOM 0 HG SER A 39 -4.398 6.016 16.033 1.00 20.54 H new ATOM 627 N LEU A 40 -7.307 5.814 12.089 1.00 24.01 N ATOM 628 CA LEU A 40 -7.982 6.169 10.819 1.00 64.12 C ATOM 629 C LEU A 40 -9.008 5.090 10.430 1.00 32.14 C ATOM 630 O LEU A 40 -9.017 3.991 10.996 1.00 3.35 O ATOM 631 CB LEU A 40 -6.940 6.327 9.677 1.00 24.42 C ATOM 632 CG LEU A 40 -5.989 7.553 9.757 1.00 2.44 C ATOM 633 CD1 LEU A 40 -4.872 7.440 8.706 1.00 3.34 C ATOM 634 CD2 LEU A 40 -6.772 8.851 9.579 1.00 22.15 C ATOM 0 H LEU A 40 -6.642 5.046 11.992 1.00 24.01 H new ATOM 0 HA LEU A 40 -8.501 7.116 10.966 1.00 64.12 H new ATOM 0 HB2 LEU A 40 -6.329 5.425 9.649 1.00 24.42 H new ATOM 0 HB3 LEU A 40 -7.479 6.377 8.731 1.00 24.42 H new ATOM 0 HG LEU A 40 -5.527 7.567 10.744 1.00 2.44 H new ATOM 0 HD11 LEU A 40 -4.216 8.308 8.777 1.00 3.34 H new ATOM 0 HD12 LEU A 40 -4.295 6.533 8.885 1.00 3.34 H new ATOM 0 HD13 LEU A 40 -5.313 7.399 7.710 1.00 3.34 H new ATOM 0 HD21 LEU A 40 -6.089 9.699 9.638 1.00 22.15 H new ATOM 0 HD22 LEU A 40 -7.264 8.849 8.606 1.00 22.15 H new ATOM 0 HD23 LEU A 40 -7.522 8.934 10.365 1.00 22.15 H new ATOM 646 N LYS A 41 -9.875 5.429 9.463 1.00 71.21 N ATOM 647 CA LYS A 41 -10.827 4.488 8.847 1.00 43.20 C ATOM 648 C LYS A 41 -10.375 4.194 7.412 1.00 42.11 C ATOM 649 O LYS A 41 -9.717 5.036 6.794 1.00 21.04 O ATOM 650 CB LYS A 41 -12.258 5.087 8.856 1.00 20.24 C ATOM 651 CG LYS A 41 -12.862 5.403 10.256 1.00 42.12 C ATOM 652 CD LYS A 41 -13.490 4.187 11.008 1.00 53.03 C ATOM 653 CE LYS A 41 -12.482 3.139 11.513 1.00 43.42 C ATOM 654 NZ LYS A 41 -11.509 3.695 12.492 1.00 11.11 N ATOM 0 H LYS A 41 -9.936 6.373 9.082 1.00 71.21 H new ATOM 0 HA LYS A 41 -10.848 3.560 9.418 1.00 43.20 H new ATOM 0 HB2 LYS A 41 -12.248 6.007 8.272 1.00 20.24 H new ATOM 0 HB3 LYS A 41 -12.924 4.392 8.345 1.00 20.24 H new ATOM 0 HG2 LYS A 41 -12.079 5.830 10.882 1.00 42.12 H new ATOM 0 HG3 LYS A 41 -13.628 6.169 10.137 1.00 42.12 H new ATOM 0 HD2 LYS A 41 -14.059 4.561 11.859 1.00 53.03 H new ATOM 0 HD3 LYS A 41 -14.199 3.695 10.342 1.00 53.03 H new ATOM 0 HE2 LYS A 41 -13.024 2.314 11.976 1.00 43.42 H new ATOM 0 HE3 LYS A 41 -11.939 2.726 10.663 1.00 43.42 H new ATOM 0 HZ1 LYS A 41 -10.577 3.788 12.040 1.00 11.11 H new ATOM 0 HZ2 LYS A 41 -11.834 4.630 12.811 1.00 11.11 H new ATOM 0 HZ3 LYS A 41 -11.436 3.056 13.309 1.00 11.11 H new ATOM 668 N VAL A 42 -10.720 3.001 6.896 1.00 52.45 N ATOM 669 CA VAL A 42 -10.331 2.550 5.544 1.00 74.14 C ATOM 670 C VAL A 42 -10.979 3.452 4.471 1.00 50.51 C ATOM 671 O VAL A 42 -12.175 3.741 4.540 1.00 54.44 O ATOM 672 CB VAL A 42 -10.752 1.045 5.314 1.00 42.51 C ATOM 673 CG1 VAL A 42 -10.343 0.536 3.919 1.00 1.34 C ATOM 674 CG2 VAL A 42 -10.171 0.130 6.419 1.00 15.01 C ATOM 0 H VAL A 42 -11.279 2.318 7.406 1.00 52.45 H new ATOM 0 HA VAL A 42 -9.247 2.622 5.459 1.00 74.14 H new ATOM 0 HB VAL A 42 -11.840 1.008 5.369 1.00 42.51 H new ATOM 0 HG11 VAL A 42 -10.653 -0.503 3.806 1.00 1.34 H new ATOM 0 HG12 VAL A 42 -10.826 1.144 3.154 1.00 1.34 H new ATOM 0 HG13 VAL A 42 -9.261 0.606 3.809 1.00 1.34 H new ATOM 0 HG21 VAL A 42 -10.476 -0.900 6.236 1.00 15.01 H new ATOM 0 HG22 VAL A 42 -9.083 0.193 6.409 1.00 15.01 H new ATOM 0 HG23 VAL A 42 -10.544 0.452 7.391 1.00 15.01 H new ATOM 684 N ALA A 43 -10.176 3.900 3.499 1.00 21.03 N ATOM 685 CA ALA A 43 -10.644 4.769 2.405 1.00 4.25 C ATOM 686 C ALA A 43 -11.232 3.911 1.269 1.00 74.15 C ATOM 687 O ALA A 43 -12.305 4.210 0.741 1.00 11.32 O ATOM 688 CB ALA A 43 -9.485 5.645 1.913 1.00 15.25 C ATOM 0 H ALA A 43 -9.183 3.672 3.446 1.00 21.03 H new ATOM 0 HA ALA A 43 -11.434 5.427 2.766 1.00 4.25 H new ATOM 0 HB1 ALA A 43 -9.832 6.287 1.104 1.00 15.25 H new ATOM 0 HB2 ALA A 43 -9.121 6.262 2.735 1.00 15.25 H new ATOM 0 HB3 ALA A 43 -8.677 5.009 1.550 1.00 15.25 H new ATOM 694 N HIS A 44 -10.502 2.841 0.909 1.00 41.54 N ATOM 695 CA HIS A 44 -10.916 1.856 -0.113 1.00 42.44 C ATOM 696 C HIS A 44 -10.333 0.472 0.219 1.00 33.20 C ATOM 697 O HIS A 44 -9.297 0.386 0.868 1.00 63.50 O ATOM 698 CB HIS A 44 -10.424 2.315 -1.514 1.00 1.35 C ATOM 699 CG HIS A 44 -10.659 1.328 -2.634 1.00 44.23 C ATOM 700 ND1 HIS A 44 -11.925 1.033 -3.067 1.00 15.31 N ATOM 701 CD2 HIS A 44 -9.763 0.612 -3.367 1.00 15.41 C ATOM 702 CE1 HIS A 44 -11.780 0.160 -4.041 1.00 63.25 C ATOM 703 NE2 HIS A 44 -10.490 -0.125 -4.255 1.00 23.34 N ATOM 0 H HIS A 44 -9.594 2.631 1.324 1.00 41.54 H new ATOM 0 HA HIS A 44 -12.004 1.787 -0.119 1.00 42.44 H new ATOM 0 HB2 HIS A 44 -10.921 3.252 -1.767 1.00 1.35 H new ATOM 0 HB3 HIS A 44 -9.356 2.526 -1.455 1.00 1.35 H new ATOM 0 HD1 HIS A 44 -12.801 1.413 -2.708 1.00 15.31 H new ATOM 0 HD2 HIS A 44 -8.688 0.625 -3.265 1.00 15.41 H new ATOM 0 HE1 HIS A 44 -12.599 -0.272 -4.597 1.00 63.25 H new ATOM 711 N GLN A 45 -11.003 -0.599 -0.240 1.00 1.05 N ATOM 712 CA GLN A 45 -10.489 -1.972 -0.131 1.00 74.50 C ATOM 713 C GLN A 45 -11.039 -2.818 -1.297 1.00 64.41 C ATOM 714 O GLN A 45 -12.254 -2.836 -1.541 1.00 60.24 O ATOM 715 CB GLN A 45 -10.862 -2.589 1.246 1.00 13.10 C ATOM 716 CG GLN A 45 -10.157 -3.923 1.558 1.00 1.33 C ATOM 717 CD GLN A 45 -10.525 -4.477 2.933 1.00 23.25 C ATOM 718 OE1 GLN A 45 -11.462 -5.267 3.071 1.00 23.23 O ATOM 719 NE2 GLN A 45 -9.817 -4.035 3.962 1.00 12.20 N ATOM 0 H GLN A 45 -11.913 -0.536 -0.696 1.00 1.05 H new ATOM 0 HA GLN A 45 -9.401 -1.959 -0.195 1.00 74.50 H new ATOM 0 HB2 GLN A 45 -10.619 -1.872 2.030 1.00 13.10 H new ATOM 0 HB3 GLN A 45 -11.940 -2.745 1.280 1.00 13.10 H new ATOM 0 HG2 GLN A 45 -10.419 -4.655 0.794 1.00 1.33 H new ATOM 0 HG3 GLN A 45 -9.078 -3.780 1.506 1.00 1.33 H new ATOM 0 HE21 GLN A 45 -9.049 -3.382 3.809 1.00 12.20 H new ATOM 0 HE22 GLN A 45 -10.040 -4.348 4.907 1.00 12.20 H new ATOM 728 N GLN A 46 -10.140 -3.529 -2.005 1.00 30.22 N ATOM 729 CA GLN A 46 -10.468 -4.284 -3.230 1.00 44.21 C ATOM 730 C GLN A 46 -9.603 -5.554 -3.324 1.00 1.42 C ATOM 731 O GLN A 46 -8.383 -5.478 -3.208 1.00 74.42 O ATOM 732 CB GLN A 46 -10.220 -3.361 -4.448 1.00 12.13 C ATOM 733 CG GLN A 46 -10.576 -3.961 -5.819 1.00 64.44 C ATOM 734 CD GLN A 46 -10.488 -2.939 -6.966 1.00 71.23 C ATOM 735 OE1 GLN A 46 -10.221 -3.403 -8.170 1.00 32.31 O flip ATOM 736 NE2 GLN A 46 -10.686 -1.741 -6.764 1.00 60.34 N flip ATOM 0 H GLN A 46 -9.157 -3.596 -1.740 1.00 30.22 H new ATOM 0 HA GLN A 46 -11.512 -4.597 -3.210 1.00 44.21 H new ATOM 0 HB2 GLN A 46 -10.796 -2.446 -4.311 1.00 12.13 H new ATOM 0 HB3 GLN A 46 -9.168 -3.077 -4.458 1.00 12.13 H new ATOM 0 HG2 GLN A 46 -9.905 -4.794 -6.030 1.00 64.44 H new ATOM 0 HG3 GLN A 46 -11.586 -4.368 -5.780 1.00 64.44 H new ATOM 0 HE21 GLN A 46 -10.891 -1.410 -5.821 1.00 60.34 H new ATOM 0 HE22 GLN A 46 -10.645 -1.080 -7.539 1.00 60.34 H new ATOM 745 N VAL A 47 -10.245 -6.717 -3.548 1.00 62.13 N ATOM 746 CA VAL A 47 -9.544 -8.010 -3.714 1.00 73.43 C ATOM 747 C VAL A 47 -9.336 -8.276 -5.217 1.00 70.45 C ATOM 748 O VAL A 47 -10.237 -8.025 -6.023 1.00 62.32 O ATOM 749 CB VAL A 47 -10.340 -9.204 -3.053 1.00 51.12 C ATOM 750 CG1 VAL A 47 -9.555 -10.537 -3.147 1.00 52.11 C ATOM 751 CG2 VAL A 47 -10.700 -8.883 -1.583 1.00 64.22 C ATOM 0 H VAL A 47 -11.260 -6.789 -3.619 1.00 62.13 H new ATOM 0 HA VAL A 47 -8.582 -7.947 -3.206 1.00 73.43 H new ATOM 0 HB VAL A 47 -11.266 -9.327 -3.614 1.00 51.12 H new ATOM 0 HG11 VAL A 47 -10.135 -11.334 -2.682 1.00 52.11 H new ATOM 0 HG12 VAL A 47 -9.377 -10.781 -4.194 1.00 52.11 H new ATOM 0 HG13 VAL A 47 -8.600 -10.434 -2.631 1.00 52.11 H new ATOM 0 HG21 VAL A 47 -11.247 -9.721 -1.151 1.00 64.22 H new ATOM 0 HG22 VAL A 47 -9.786 -8.714 -1.013 1.00 64.22 H new ATOM 0 HG23 VAL A 47 -11.320 -7.987 -1.548 1.00 64.22 H new ATOM 761 N LEU A 48 -8.142 -8.782 -5.575 1.00 12.34 N ATOM 762 CA LEU A 48 -7.701 -8.974 -6.966 1.00 55.00 C ATOM 763 C LEU A 48 -7.037 -10.355 -7.123 1.00 34.24 C ATOM 764 O LEU A 48 -6.062 -10.633 -6.433 1.00 31.24 O ATOM 765 CB LEU A 48 -6.686 -7.865 -7.365 1.00 53.33 C ATOM 766 CG LEU A 48 -7.246 -6.419 -7.462 1.00 23.04 C ATOM 767 CD1 LEU A 48 -6.146 -5.445 -7.913 1.00 61.14 C ATOM 768 CD2 LEU A 48 -8.458 -6.363 -8.404 1.00 24.35 C ATOM 0 H LEU A 48 -7.444 -9.074 -4.891 1.00 12.34 H new ATOM 0 HA LEU A 48 -8.572 -8.915 -7.618 1.00 55.00 H new ATOM 0 HB2 LEU A 48 -5.873 -7.869 -6.639 1.00 53.33 H new ATOM 0 HB3 LEU A 48 -6.253 -8.129 -8.330 1.00 53.33 H new ATOM 0 HG LEU A 48 -7.583 -6.113 -6.471 1.00 23.04 H new ATOM 0 HD11 LEU A 48 -6.556 -4.437 -7.976 1.00 61.14 H new ATOM 0 HD12 LEU A 48 -5.329 -5.460 -7.192 1.00 61.14 H new ATOM 0 HD13 LEU A 48 -5.772 -5.746 -8.892 1.00 61.14 H new ATOM 0 HD21 LEU A 48 -8.832 -5.340 -8.455 1.00 24.35 H new ATOM 0 HD22 LEU A 48 -8.160 -6.691 -9.400 1.00 24.35 H new ATOM 0 HD23 LEU A 48 -9.243 -7.018 -8.026 1.00 24.35 H new ATOM 780 N PRO A 49 -7.523 -11.227 -8.056 1.00 73.54 N ATOM 781 CA PRO A 49 -6.913 -12.553 -8.298 1.00 64.33 C ATOM 782 C PRO A 49 -5.522 -12.403 -8.966 1.00 12.14 C ATOM 783 O PRO A 49 -5.428 -11.993 -10.129 1.00 11.52 O ATOM 784 CB PRO A 49 -7.948 -13.255 -9.214 1.00 70.00 C ATOM 785 CG PRO A 49 -8.635 -12.141 -9.940 1.00 33.23 C ATOM 786 CD PRO A 49 -8.676 -10.976 -8.970 1.00 1.54 C ATOM 0 HA PRO A 49 -6.720 -13.124 -7.390 1.00 64.33 H new ATOM 0 HB2 PRO A 49 -7.461 -13.939 -9.909 1.00 70.00 H new ATOM 0 HB3 PRO A 49 -8.657 -13.844 -8.631 1.00 70.00 H new ATOM 0 HG2 PRO A 49 -8.094 -11.874 -10.848 1.00 33.23 H new ATOM 0 HG3 PRO A 49 -9.641 -12.433 -10.242 1.00 33.23 H new ATOM 0 HD2 PRO A 49 -8.575 -10.022 -9.487 1.00 1.54 H new ATOM 0 HD3 PRO A 49 -9.619 -10.944 -8.424 1.00 1.54 H new ATOM 794 N TRP A 50 -4.457 -12.677 -8.191 1.00 4.41 N ATOM 795 CA TRP A 50 -3.062 -12.577 -8.657 1.00 53.33 C ATOM 796 C TRP A 50 -2.785 -13.598 -9.784 1.00 0.15 C ATOM 797 O TRP A 50 -3.235 -14.745 -9.707 1.00 33.24 O ATOM 798 CB TRP A 50 -2.085 -12.812 -7.470 1.00 33.22 C ATOM 799 CG TRP A 50 -0.635 -12.650 -7.867 1.00 2.41 C ATOM 800 CD1 TRP A 50 0.244 -13.631 -8.248 1.00 3.04 C ATOM 801 CD2 TRP A 50 0.077 -11.416 -7.974 1.00 14.21 C ATOM 802 NE1 TRP A 50 1.438 -13.071 -8.615 1.00 35.50 N ATOM 803 CE2 TRP A 50 1.364 -11.715 -8.443 1.00 63.35 C ATOM 804 CE3 TRP A 50 -0.256 -10.080 -7.721 1.00 22.31 C ATOM 805 CZ2 TRP A 50 2.316 -10.729 -8.669 1.00 73.24 C ATOM 806 CZ3 TRP A 50 0.695 -9.103 -7.940 1.00 23.44 C ATOM 807 CH2 TRP A 50 1.964 -9.430 -8.411 1.00 13.23 C ATOM 0 H TRP A 50 -4.540 -12.975 -7.219 1.00 4.41 H new ATOM 0 HA TRP A 50 -2.904 -11.575 -9.056 1.00 53.33 H new ATOM 0 HB2 TRP A 50 -2.318 -12.111 -6.668 1.00 33.22 H new ATOM 0 HB3 TRP A 50 -2.239 -13.815 -7.071 1.00 33.22 H new ATOM 0 HD1 TRP A 50 0.027 -14.689 -8.257 1.00 3.04 H new ATOM 0 HE1 TRP A 50 2.251 -13.581 -8.961 1.00 35.50 H new ATOM 0 HE3 TRP A 50 -1.240 -9.818 -7.361 1.00 22.31 H new ATOM 0 HZ2 TRP A 50 3.301 -10.978 -9.036 1.00 73.24 H new ATOM 0 HZ3 TRP A 50 0.451 -8.070 -7.743 1.00 23.44 H new ATOM 0 HH2 TRP A 50 2.686 -8.644 -8.576 1.00 13.23 H new ATOM 818 N ARG A 51 -2.025 -13.166 -10.809 1.00 52.40 N ATOM 819 CA ARG A 51 -1.668 -14.001 -11.965 1.00 55.20 C ATOM 820 C ARG A 51 -0.484 -14.912 -11.577 1.00 75.11 C ATOM 821 O ARG A 51 0.657 -14.455 -11.519 1.00 32.10 O ATOM 822 CB ARG A 51 -1.316 -13.108 -13.219 1.00 23.44 C ATOM 823 CG ARG A 51 -1.635 -13.758 -14.601 1.00 43.24 C ATOM 824 CD ARG A 51 -0.814 -15.032 -14.922 1.00 53.03 C ATOM 825 NE ARG A 51 -1.365 -15.774 -16.067 1.00 4.41 N ATOM 826 CZ ARG A 51 -0.871 -16.932 -16.552 1.00 13.20 C ATOM 827 NH1 ARG A 51 0.193 -17.527 -15.996 1.00 31.04 N ATOM 828 NH2 ARG A 51 -1.469 -17.503 -17.587 1.00 13.11 N ATOM 0 H ARG A 51 -1.641 -12.222 -10.855 1.00 52.40 H new ATOM 0 HA ARG A 51 -2.520 -14.621 -12.243 1.00 55.20 H new ATOM 0 HB2 ARG A 51 -1.862 -12.168 -13.142 1.00 23.44 H new ATOM 0 HB3 ARG A 51 -0.254 -12.863 -13.186 1.00 23.44 H new ATOM 0 HG2 ARG A 51 -2.695 -14.008 -14.634 1.00 43.24 H new ATOM 0 HG3 ARG A 51 -1.457 -13.021 -15.384 1.00 43.24 H new ATOM 0 HD2 ARG A 51 0.218 -14.753 -15.135 1.00 53.03 H new ATOM 0 HD3 ARG A 51 -0.795 -15.680 -14.046 1.00 53.03 H new ATOM 0 HE ARG A 51 -2.185 -15.382 -16.530 1.00 4.41 H new ATOM 0 HH11 ARG A 51 0.649 -17.105 -15.187 1.00 31.04 H new ATOM 0 HH12 ARG A 51 0.547 -18.402 -16.382 1.00 31.04 H new ATOM 0 HH21 ARG A 51 -2.291 -17.067 -18.006 1.00 13.11 H new ATOM 0 HH22 ARG A 51 -1.108 -18.379 -17.965 1.00 13.11 H new ATOM 842 N GLY A 52 -0.801 -16.185 -11.298 1.00 11.32 N ATOM 843 CA GLY A 52 0.195 -17.236 -11.116 1.00 21.33 C ATOM 844 C GLY A 52 1.092 -17.062 -9.894 1.00 32.32 C ATOM 845 O GLY A 52 0.593 -16.890 -8.779 1.00 60.35 O ATOM 0 H GLY A 52 -1.762 -16.510 -11.193 1.00 11.32 H new ATOM 0 HA2 GLY A 52 -0.318 -18.194 -11.039 1.00 21.33 H new ATOM 0 HA3 GLY A 52 0.822 -17.281 -12.006 1.00 21.33 H new ATOM 849 N GLU A 53 2.416 -17.118 -10.128 1.00 71.43 N ATOM 850 CA GLU A 53 3.440 -17.121 -9.072 1.00 22.22 C ATOM 851 C GLU A 53 3.717 -15.695 -8.572 1.00 21.22 C ATOM 852 O GLU A 53 4.044 -14.799 -9.358 1.00 44.52 O ATOM 853 CB GLU A 53 4.748 -17.770 -9.596 1.00 54.12 C ATOM 854 CG GLU A 53 4.573 -19.189 -10.174 1.00 12.22 C ATOM 855 CD GLU A 53 5.904 -19.824 -10.598 1.00 64.44 C ATOM 856 OE1 GLU A 53 6.338 -19.609 -11.751 1.00 63.04 O ATOM 857 OE2 GLU A 53 6.539 -20.519 -9.777 1.00 4.34 O ATOM 0 H GLU A 53 2.808 -17.163 -11.069 1.00 71.43 H new ATOM 0 HA GLU A 53 3.064 -17.708 -8.234 1.00 22.22 H new ATOM 0 HB2 GLU A 53 5.173 -17.128 -10.367 1.00 54.12 H new ATOM 0 HB3 GLU A 53 5.470 -17.810 -8.781 1.00 54.12 H new ATOM 0 HG2 GLU A 53 4.093 -19.824 -9.429 1.00 12.22 H new ATOM 0 HG3 GLU A 53 3.905 -19.147 -11.034 1.00 12.22 H new ATOM 864 N PHE A 54 3.579 -15.497 -7.258 1.00 15.11 N ATOM 865 CA PHE A 54 3.856 -14.209 -6.614 1.00 24.04 C ATOM 866 C PHE A 54 5.332 -14.122 -6.206 1.00 51.40 C ATOM 867 O PHE A 54 5.926 -15.107 -5.769 1.00 35.23 O ATOM 868 CB PHE A 54 2.933 -14.010 -5.389 1.00 45.30 C ATOM 869 CG PHE A 54 3.163 -12.695 -4.654 1.00 61.43 C ATOM 870 CD1 PHE A 54 2.954 -11.482 -5.298 1.00 53.21 C ATOM 871 CD2 PHE A 54 3.608 -12.671 -3.340 1.00 73.55 C ATOM 872 CE1 PHE A 54 3.182 -10.288 -4.659 1.00 44.05 C ATOM 873 CE2 PHE A 54 3.838 -11.479 -2.702 1.00 71.50 C ATOM 874 CZ PHE A 54 3.623 -10.287 -3.358 1.00 22.42 C ATOM 0 H PHE A 54 3.273 -16.224 -6.611 1.00 15.11 H new ATOM 0 HA PHE A 54 3.652 -13.410 -7.327 1.00 24.04 H new ATOM 0 HB2 PHE A 54 1.894 -14.056 -5.717 1.00 45.30 H new ATOM 0 HB3 PHE A 54 3.084 -14.836 -4.694 1.00 45.30 H new ATOM 0 HD1 PHE A 54 2.606 -11.478 -6.320 1.00 53.21 H new ATOM 0 HD2 PHE A 54 3.775 -13.600 -2.815 1.00 73.55 H new ATOM 0 HE1 PHE A 54 3.015 -9.355 -5.177 1.00 44.05 H new ATOM 0 HE2 PHE A 54 4.189 -11.475 -1.681 1.00 71.50 H new ATOM 0 HZ PHE A 54 3.801 -9.351 -2.849 1.00 22.42 H new ATOM 884 N HIS A 55 5.920 -12.926 -6.375 1.00 15.13 N ATOM 885 CA HIS A 55 7.304 -12.632 -5.974 1.00 2.11 C ATOM 886 C HIS A 55 7.319 -11.360 -5.107 1.00 23.22 C ATOM 887 O HIS A 55 7.247 -10.251 -5.647 1.00 73.30 O ATOM 888 CB HIS A 55 8.209 -12.475 -7.226 1.00 2.52 C ATOM 889 CG HIS A 55 8.507 -13.764 -7.943 1.00 64.34 C ATOM 890 ND1 HIS A 55 9.732 -14.389 -7.882 1.00 12.02 N ATOM 891 CD2 HIS A 55 7.733 -14.553 -8.734 1.00 13.33 C ATOM 892 CE1 HIS A 55 9.700 -15.494 -8.594 1.00 10.51 C ATOM 893 NE2 HIS A 55 8.500 -15.621 -9.118 1.00 43.45 N ATOM 0 H HIS A 55 5.443 -12.130 -6.798 1.00 15.13 H new ATOM 0 HA HIS A 55 7.701 -13.460 -5.387 1.00 2.11 H new ATOM 0 HB2 HIS A 55 7.728 -11.788 -7.923 1.00 2.52 H new ATOM 0 HB3 HIS A 55 9.150 -12.015 -6.924 1.00 2.52 H new ATOM 0 HD2 HIS A 55 6.704 -14.372 -9.009 1.00 13.33 H new ATOM 0 HE1 HIS A 55 10.522 -16.182 -8.726 1.00 10.51 H new ATOM 0 HE2 HIS A 55 8.191 -16.390 -9.713 1.00 43.45 H new ATOM 902 N PRO A 56 7.409 -11.493 -3.738 1.00 42.45 N ATOM 903 CA PRO A 56 7.424 -10.325 -2.817 1.00 64.00 C ATOM 904 C PRO A 56 8.541 -9.326 -3.167 1.00 64.01 C ATOM 905 O PRO A 56 8.377 -8.123 -3.019 1.00 53.23 O ATOM 906 CB PRO A 56 7.653 -10.957 -1.421 1.00 55.52 C ATOM 907 CG PRO A 56 7.175 -12.373 -1.561 1.00 42.55 C ATOM 908 CD PRO A 56 7.500 -12.779 -2.985 1.00 3.20 C ATOM 0 HA PRO A 56 6.503 -9.745 -2.875 1.00 64.00 H new ATOM 0 HB2 PRO A 56 8.705 -10.920 -1.137 1.00 55.52 H new ATOM 0 HB3 PRO A 56 7.096 -10.425 -0.649 1.00 55.52 H new ATOM 0 HG2 PRO A 56 7.673 -13.027 -0.845 1.00 42.55 H new ATOM 0 HG3 PRO A 56 6.105 -12.445 -1.368 1.00 42.55 H new ATOM 0 HD2 PRO A 56 8.494 -13.220 -3.061 1.00 3.20 H new ATOM 0 HD3 PRO A 56 6.794 -13.518 -3.364 1.00 3.20 H new ATOM 916 N ASP A 57 9.642 -9.883 -3.691 1.00 43.24 N ATOM 917 CA ASP A 57 10.840 -9.139 -4.107 1.00 23.40 C ATOM 918 C ASP A 57 10.559 -8.247 -5.335 1.00 11.13 C ATOM 919 O ASP A 57 10.923 -7.075 -5.338 1.00 60.52 O ATOM 920 CB ASP A 57 11.983 -10.136 -4.426 1.00 11.21 C ATOM 921 CG ASP A 57 12.369 -11.027 -3.230 1.00 52.44 C ATOM 922 OD1 ASP A 57 11.570 -11.918 -2.850 1.00 24.01 O ATOM 923 OD2 ASP A 57 13.467 -10.851 -2.665 1.00 32.42 O ATOM 0 H ASP A 57 9.726 -10.888 -3.841 1.00 43.24 H new ATOM 0 HA ASP A 57 11.136 -8.486 -3.286 1.00 23.40 H new ATOM 0 HB2 ASP A 57 11.680 -10.770 -5.259 1.00 11.21 H new ATOM 0 HB3 ASP A 57 12.861 -9.579 -4.753 1.00 11.21 H new ATOM 928 N THR A 58 9.900 -8.817 -6.368 1.00 23.03 N ATOM 929 CA THR A 58 9.610 -8.097 -7.625 1.00 52.12 C ATOM 930 C THR A 58 8.630 -6.938 -7.374 1.00 11.05 C ATOM 931 O THR A 58 8.858 -5.809 -7.832 1.00 44.22 O ATOM 932 CB THR A 58 9.041 -9.062 -8.724 1.00 33.33 C ATOM 933 OG1 THR A 58 9.942 -10.166 -8.904 1.00 73.44 O ATOM 934 CG2 THR A 58 8.845 -8.357 -10.084 1.00 65.50 C ATOM 0 H THR A 58 9.558 -9.778 -6.354 1.00 23.03 H new ATOM 0 HA THR A 58 10.551 -7.688 -7.993 1.00 52.12 H new ATOM 0 HB THR A 58 8.066 -9.404 -8.378 1.00 33.33 H new ATOM 0 HG1 THR A 58 9.587 -10.770 -9.589 1.00 73.44 H new ATOM 0 HG21 THR A 58 8.450 -9.068 -10.809 1.00 65.50 H new ATOM 0 HG22 THR A 58 8.144 -7.530 -9.968 1.00 65.50 H new ATOM 0 HG23 THR A 58 9.803 -7.974 -10.437 1.00 65.50 H new ATOM 942 N LEU A 59 7.568 -7.224 -6.601 1.00 73.14 N ATOM 943 CA LEU A 59 6.569 -6.219 -6.226 1.00 24.42 C ATOM 944 C LEU A 59 7.227 -5.090 -5.397 1.00 44.12 C ATOM 945 O LEU A 59 7.006 -3.918 -5.678 1.00 13.42 O ATOM 946 CB LEU A 59 5.397 -6.874 -5.446 1.00 74.34 C ATOM 947 CG LEU A 59 4.193 -5.938 -5.102 1.00 33.13 C ATOM 948 CD1 LEU A 59 3.529 -5.351 -6.373 1.00 13.43 C ATOM 949 CD2 LEU A 59 3.157 -6.675 -4.227 1.00 70.42 C ATOM 0 H LEU A 59 7.382 -8.153 -6.223 1.00 73.14 H new ATOM 0 HA LEU A 59 6.160 -5.780 -7.136 1.00 24.42 H new ATOM 0 HB2 LEU A 59 5.023 -7.714 -6.031 1.00 74.34 H new ATOM 0 HB3 LEU A 59 5.790 -7.283 -4.516 1.00 74.34 H new ATOM 0 HG LEU A 59 4.590 -5.098 -4.532 1.00 33.13 H new ATOM 0 HD11 LEU A 59 2.698 -4.707 -6.085 1.00 13.43 H new ATOM 0 HD12 LEU A 59 4.262 -4.769 -6.931 1.00 13.43 H new ATOM 0 HD13 LEU A 59 3.159 -6.163 -6.998 1.00 13.43 H new ATOM 0 HD21 LEU A 59 2.329 -6.004 -4.001 1.00 70.42 H new ATOM 0 HD22 LEU A 59 2.782 -7.546 -4.764 1.00 70.42 H new ATOM 0 HD23 LEU A 59 3.628 -6.996 -3.298 1.00 70.42 H new ATOM 961 N GLN A 60 8.104 -5.474 -4.440 1.00 71.31 N ATOM 962 CA GLN A 60 8.742 -4.534 -3.486 1.00 10.53 C ATOM 963 C GLN A 60 9.718 -3.581 -4.205 1.00 13.53 C ATOM 964 O GLN A 60 9.750 -2.381 -3.915 1.00 32.31 O ATOM 965 CB GLN A 60 9.462 -5.322 -2.349 1.00 3.21 C ATOM 966 CG GLN A 60 9.809 -4.496 -1.073 1.00 0.12 C ATOM 967 CD GLN A 60 11.110 -3.690 -1.162 1.00 4.32 C ATOM 968 OE1 GLN A 60 12.065 -4.105 -1.809 1.00 44.43 O ATOM 969 NE2 GLN A 60 11.152 -2.529 -0.528 1.00 41.11 N ATOM 0 H GLN A 60 8.390 -6.444 -4.307 1.00 71.31 H new ATOM 0 HA GLN A 60 7.960 -3.921 -3.038 1.00 10.53 H new ATOM 0 HB2 GLN A 60 8.830 -6.161 -2.056 1.00 3.21 H new ATOM 0 HB3 GLN A 60 10.384 -5.742 -2.750 1.00 3.21 H new ATOM 0 HG2 GLN A 60 8.987 -3.811 -0.867 1.00 0.12 H new ATOM 0 HG3 GLN A 60 9.877 -5.177 -0.224 1.00 0.12 H new ATOM 0 HE21 GLN A 60 10.342 -2.208 0.003 1.00 41.11 H new ATOM 0 HE22 GLN A 60 11.994 -1.955 -0.570 1.00 41.11 H new ATOM 978 N MET A 61 10.516 -4.126 -5.140 1.00 32.10 N ATOM 979 CA MET A 61 11.465 -3.326 -5.941 1.00 21.41 C ATOM 980 C MET A 61 10.725 -2.383 -6.913 1.00 61.45 C ATOM 981 O MET A 61 11.214 -1.286 -7.204 1.00 65.34 O ATOM 982 CB MET A 61 12.454 -4.249 -6.697 1.00 3.02 C ATOM 983 CG MET A 61 13.378 -5.061 -5.780 1.00 50.22 C ATOM 984 SD MET A 61 14.456 -6.186 -6.697 1.00 44.54 S ATOM 985 CE MET A 61 15.266 -7.072 -5.359 1.00 63.21 C ATOM 0 H MET A 61 10.524 -5.122 -5.362 1.00 32.10 H new ATOM 0 HA MET A 61 12.040 -2.701 -5.257 1.00 21.41 H new ATOM 0 HB2 MET A 61 11.886 -4.937 -7.324 1.00 3.02 H new ATOM 0 HB3 MET A 61 13.065 -3.641 -7.364 1.00 3.02 H new ATOM 0 HG2 MET A 61 13.990 -4.378 -5.190 1.00 50.22 H new ATOM 0 HG3 MET A 61 12.773 -5.635 -5.078 1.00 50.22 H new ATOM 0 HE1 MET A 61 15.962 -7.801 -5.774 1.00 63.21 H new ATOM 0 HE2 MET A 61 15.811 -6.366 -4.733 1.00 63.21 H new ATOM 0 HE3 MET A 61 14.517 -7.587 -4.757 1.00 63.21 H new ATOM 995 N ALA A 62 9.533 -2.811 -7.382 1.00 42.52 N ATOM 996 CA ALA A 62 8.640 -1.964 -8.201 1.00 21.11 C ATOM 997 C ALA A 62 8.079 -0.803 -7.354 1.00 32.52 C ATOM 998 O ALA A 62 7.999 0.336 -7.836 1.00 43.24 O ATOM 999 CB ALA A 62 7.500 -2.803 -8.800 1.00 20.34 C ATOM 0 H ALA A 62 9.165 -3.746 -7.205 1.00 42.52 H new ATOM 0 HA ALA A 62 9.218 -1.542 -9.023 1.00 21.11 H new ATOM 0 HB1 ALA A 62 6.853 -2.163 -9.400 1.00 20.34 H new ATOM 0 HB2 ALA A 62 7.918 -3.588 -9.430 1.00 20.34 H new ATOM 0 HB3 ALA A 62 6.919 -3.254 -7.996 1.00 20.34 H new ATOM 1005 N LEU A 63 7.744 -1.113 -6.072 1.00 21.25 N ATOM 1006 CA LEU A 63 7.251 -0.123 -5.087 1.00 0.51 C ATOM 1007 C LEU A 63 8.279 1.009 -4.896 1.00 54.21 C ATOM 1008 O LEU A 63 7.917 2.183 -4.904 1.00 12.24 O ATOM 1009 CB LEU A 63 6.926 -0.803 -3.724 1.00 34.43 C ATOM 1010 CG LEU A 63 5.756 -1.836 -3.745 1.00 73.03 C ATOM 1011 CD1 LEU A 63 5.706 -2.657 -2.445 1.00 22.25 C ATOM 1012 CD2 LEU A 63 4.404 -1.160 -4.026 1.00 70.13 C ATOM 0 H LEU A 63 7.810 -2.059 -5.697 1.00 21.25 H new ATOM 0 HA LEU A 63 6.329 0.309 -5.476 1.00 0.51 H new ATOM 0 HB2 LEU A 63 7.824 -1.306 -3.367 1.00 34.43 H new ATOM 0 HB3 LEU A 63 6.687 -0.025 -2.999 1.00 34.43 H new ATOM 0 HG LEU A 63 5.953 -2.526 -4.566 1.00 73.03 H new ATOM 0 HD11 LEU A 63 4.880 -3.366 -2.494 1.00 22.25 H new ATOM 0 HD12 LEU A 63 6.643 -3.200 -2.321 1.00 22.25 H new ATOM 0 HD13 LEU A 63 5.560 -1.988 -1.597 1.00 22.25 H new ATOM 0 HD21 LEU A 63 3.615 -1.912 -4.032 1.00 70.13 H new ATOM 0 HD22 LEU A 63 4.197 -0.424 -3.249 1.00 70.13 H new ATOM 0 HD23 LEU A 63 4.440 -0.664 -4.996 1.00 70.13 H new ATOM 1024 N GLN A 64 9.569 0.626 -4.788 1.00 4.44 N ATOM 1025 CA GLN A 64 10.700 1.580 -4.708 1.00 62.55 C ATOM 1026 C GLN A 64 10.684 2.583 -5.880 1.00 54.32 C ATOM 1027 O GLN A 64 10.794 3.795 -5.660 1.00 35.43 O ATOM 1028 CB GLN A 64 12.061 0.829 -4.698 1.00 12.00 C ATOM 1029 CG GLN A 64 12.232 -0.174 -3.544 1.00 53.22 C ATOM 1030 CD GLN A 64 13.562 -0.943 -3.610 1.00 42.12 C ATOM 1031 OE1 GLN A 64 14.574 -0.428 -4.083 1.00 54.34 O ATOM 1032 NE2 GLN A 64 13.564 -2.179 -3.158 1.00 3.32 N ATOM 0 H GLN A 64 9.857 -0.352 -4.754 1.00 4.44 H new ATOM 0 HA GLN A 64 10.582 2.131 -3.775 1.00 62.55 H new ATOM 0 HB2 GLN A 64 12.175 0.298 -5.643 1.00 12.00 H new ATOM 0 HB3 GLN A 64 12.865 1.563 -4.646 1.00 12.00 H new ATOM 0 HG2 GLN A 64 12.173 0.359 -2.595 1.00 53.22 H new ATOM 0 HG3 GLN A 64 11.406 -0.885 -3.562 1.00 53.22 H new ATOM 0 HE21 GLN A 64 12.711 -2.582 -2.771 1.00 3.32 H new ATOM 0 HE22 GLN A 64 14.419 -2.734 -3.195 1.00 3.32 H new ATOM 1041 N VAL A 65 10.471 2.071 -7.113 1.00 44.25 N ATOM 1042 CA VAL A 65 10.494 2.893 -8.343 1.00 42.42 C ATOM 1043 C VAL A 65 9.341 3.922 -8.357 1.00 14.15 C ATOM 1044 O VAL A 65 9.502 5.047 -8.850 1.00 44.22 O ATOM 1045 CB VAL A 65 10.421 1.980 -9.633 1.00 44.41 C ATOM 1046 CG1 VAL A 65 10.474 2.812 -10.939 1.00 24.32 C ATOM 1047 CG2 VAL A 65 11.537 0.910 -9.616 1.00 62.15 C ATOM 0 H VAL A 65 10.280 1.084 -7.283 1.00 44.25 H new ATOM 0 HA VAL A 65 11.438 3.438 -8.351 1.00 42.42 H new ATOM 0 HB VAL A 65 9.457 1.473 -9.613 1.00 44.41 H new ATOM 0 HG11 VAL A 65 10.421 2.144 -11.799 1.00 24.32 H new ATOM 0 HG12 VAL A 65 9.632 3.503 -10.964 1.00 24.32 H new ATOM 0 HG13 VAL A 65 11.407 3.375 -10.974 1.00 24.32 H new ATOM 0 HG21 VAL A 65 11.465 0.295 -10.513 1.00 62.15 H new ATOM 0 HG22 VAL A 65 12.510 1.400 -9.589 1.00 62.15 H new ATOM 0 HG23 VAL A 65 11.423 0.280 -8.734 1.00 62.15 H new ATOM 1057 N VAL A 66 8.196 3.543 -7.760 1.00 14.51 N ATOM 1058 CA VAL A 66 6.984 4.393 -7.730 1.00 41.22 C ATOM 1059 C VAL A 66 6.837 5.120 -6.373 1.00 14.03 C ATOM 1060 O VAL A 66 5.754 5.628 -6.050 1.00 4.45 O ATOM 1061 CB VAL A 66 5.698 3.550 -8.056 1.00 41.21 C ATOM 1062 CG1 VAL A 66 5.748 2.978 -9.491 1.00 71.33 C ATOM 1063 CG2 VAL A 66 5.500 2.431 -7.019 1.00 45.00 C ATOM 0 H VAL A 66 8.082 2.646 -7.287 1.00 14.51 H new ATOM 0 HA VAL A 66 7.096 5.154 -8.502 1.00 41.22 H new ATOM 0 HB VAL A 66 4.839 4.218 -8.000 1.00 41.21 H new ATOM 0 HG11 VAL A 66 4.844 2.400 -9.684 1.00 71.33 H new ATOM 0 HG12 VAL A 66 5.815 3.797 -10.207 1.00 71.33 H new ATOM 0 HG13 VAL A 66 6.620 2.333 -9.595 1.00 71.33 H new ATOM 0 HG21 VAL A 66 4.604 1.861 -7.265 1.00 45.00 H new ATOM 0 HG22 VAL A 66 6.366 1.769 -7.029 1.00 45.00 H new ATOM 0 HG23 VAL A 66 5.390 2.869 -6.027 1.00 45.00 H new ATOM 1073 N ASN A 67 7.953 5.159 -5.602 1.00 41.41 N ATOM 1074 CA ASN A 67 8.079 5.962 -4.358 1.00 62.34 C ATOM 1075 C ASN A 67 7.105 5.509 -3.245 1.00 51.13 C ATOM 1076 O ASN A 67 6.727 6.300 -2.375 1.00 23.21 O ATOM 1077 CB ASN A 67 7.908 7.481 -4.672 1.00 61.04 C ATOM 1078 CG ASN A 67 8.998 8.066 -5.586 1.00 50.14 C ATOM 1079 OD1 ASN A 67 10.246 7.623 -5.433 1.00 73.31 O flip ATOM 1080 ND2 ASN A 67 8.728 8.946 -6.402 1.00 12.30 N flip ATOM 0 H ASN A 67 8.796 4.631 -5.827 1.00 41.41 H new ATOM 0 HA ASN A 67 9.083 5.791 -3.970 1.00 62.34 H new ATOM 0 HB2 ASN A 67 6.936 7.636 -5.141 1.00 61.04 H new ATOM 0 HB3 ASN A 67 7.901 8.035 -3.734 1.00 61.04 H new ATOM 0 HD21 ASN A 67 7.766 9.270 -6.503 1.00 12.30 H new ATOM 0 HD22 ASN A 67 9.466 9.351 -6.978 1.00 12.30 H new ATOM 1087 N ILE A 68 6.729 4.226 -3.268 1.00 71.04 N ATOM 1088 CA ILE A 68 5.945 3.601 -2.197 1.00 53.50 C ATOM 1089 C ILE A 68 6.923 2.964 -1.193 1.00 54.40 C ATOM 1090 O ILE A 68 7.559 1.942 -1.489 1.00 65.44 O ATOM 1091 CB ILE A 68 4.942 2.522 -2.757 1.00 33.04 C ATOM 1092 CG1 ILE A 68 3.955 3.153 -3.790 1.00 51.30 C ATOM 1093 CG2 ILE A 68 4.169 1.831 -1.610 1.00 31.13 C ATOM 1094 CD1 ILE A 68 3.028 4.218 -3.230 1.00 32.35 C ATOM 0 H ILE A 68 6.960 3.590 -4.031 1.00 71.04 H new ATOM 0 HA ILE A 68 5.340 4.363 -1.706 1.00 53.50 H new ATOM 0 HB ILE A 68 5.529 1.762 -3.273 1.00 33.04 H new ATOM 0 HG12 ILE A 68 4.535 3.590 -4.603 1.00 51.30 H new ATOM 0 HG13 ILE A 68 3.349 2.357 -4.223 1.00 51.30 H new ATOM 0 HG21 ILE A 68 3.485 1.092 -2.026 1.00 31.13 H new ATOM 0 HG22 ILE A 68 4.874 1.337 -0.942 1.00 31.13 H new ATOM 0 HG23 ILE A 68 3.602 2.577 -1.052 1.00 31.13 H new ATOM 0 HD11 ILE A 68 2.383 4.593 -4.025 1.00 32.35 H new ATOM 0 HD12 ILE A 68 2.415 3.787 -2.438 1.00 32.35 H new ATOM 0 HD13 ILE A 68 3.620 5.039 -2.825 1.00 32.35 H new ATOM 1106 N GLN A 69 7.060 3.616 -0.035 1.00 60.31 N ATOM 1107 CA GLN A 69 7.945 3.182 1.057 1.00 32.43 C ATOM 1108 C GLN A 69 7.399 1.902 1.723 1.00 71.44 C ATOM 1109 O GLN A 69 6.220 1.827 2.046 1.00 64.51 O ATOM 1110 CB GLN A 69 8.061 4.354 2.068 1.00 21.34 C ATOM 1111 CG GLN A 69 8.805 4.058 3.375 1.00 74.31 C ATOM 1112 CD GLN A 69 9.022 5.322 4.206 1.00 62.42 C ATOM 1113 OE1 GLN A 69 8.066 5.670 5.054 1.00 2.22 O flip ATOM 1114 NE2 GLN A 69 10.039 5.989 4.074 1.00 61.33 N flip ATOM 0 H GLN A 69 6.552 4.475 0.176 1.00 60.31 H new ATOM 0 HA GLN A 69 8.935 2.934 0.674 1.00 32.43 H new ATOM 0 HB2 GLN A 69 8.562 5.185 1.571 1.00 21.34 H new ATOM 0 HB3 GLN A 69 7.055 4.691 2.317 1.00 21.34 H new ATOM 0 HG2 GLN A 69 8.239 3.332 3.959 1.00 74.31 H new ATOM 0 HG3 GLN A 69 9.769 3.602 3.149 1.00 74.31 H new ATOM 0 HE21 GLN A 69 10.759 5.696 3.413 1.00 61.33 H new ATOM 0 HE22 GLN A 69 10.167 6.838 4.625 1.00 61.33 H new ATOM 1123 N THR A 70 8.263 0.900 1.921 1.00 62.04 N ATOM 1124 CA THR A 70 7.878 -0.371 2.553 1.00 41.24 C ATOM 1125 C THR A 70 8.222 -0.314 4.051 1.00 32.11 C ATOM 1126 O THR A 70 9.394 -0.163 4.421 1.00 72.31 O ATOM 1127 CB THR A 70 8.600 -1.575 1.866 1.00 11.12 C ATOM 1128 OG1 THR A 70 8.342 -1.547 0.447 1.00 52.20 O ATOM 1129 CG2 THR A 70 8.148 -2.939 2.438 1.00 33.10 C ATOM 0 H THR A 70 9.245 0.945 1.650 1.00 62.04 H new ATOM 0 HA THR A 70 6.805 -0.519 2.434 1.00 41.24 H new ATOM 0 HB THR A 70 9.666 -1.470 2.065 1.00 11.12 H new ATOM 0 HG1 THR A 70 7.754 -2.293 0.207 1.00 52.20 H new ATOM 0 HG21 THR A 70 8.679 -3.742 1.927 1.00 33.10 H new ATOM 0 HG22 THR A 70 8.370 -2.978 3.504 1.00 33.10 H new ATOM 0 HG23 THR A 70 7.075 -3.060 2.286 1.00 33.10 H new ATOM 1137 N ILE A 71 7.184 -0.379 4.894 1.00 14.42 N ATOM 1138 CA ILE A 71 7.321 -0.378 6.363 1.00 12.05 C ATOM 1139 C ILE A 71 7.549 -1.810 6.849 1.00 61.52 C ATOM 1140 O ILE A 71 8.520 -2.097 7.554 1.00 41.03 O ATOM 1141 CB ILE A 71 6.033 0.225 7.042 1.00 12.45 C ATOM 1142 CG1 ILE A 71 5.740 1.644 6.475 1.00 13.40 C ATOM 1143 CG2 ILE A 71 6.141 0.249 8.589 1.00 14.11 C ATOM 1144 CD1 ILE A 71 6.877 2.635 6.630 1.00 1.13 C ATOM 0 H ILE A 71 6.216 -0.434 4.577 1.00 14.42 H new ATOM 0 HA ILE A 71 8.173 0.243 6.640 1.00 12.05 H new ATOM 0 HB ILE A 71 5.195 -0.429 6.799 1.00 12.45 H new ATOM 0 HG12 ILE A 71 5.496 1.554 5.416 1.00 13.40 H new ATOM 0 HG13 ILE A 71 4.857 2.044 6.973 1.00 13.40 H new ATOM 0 HG21 ILE A 71 5.230 0.673 9.011 1.00 14.11 H new ATOM 0 HG22 ILE A 71 6.274 -0.767 8.960 1.00 14.11 H new ATOM 0 HG23 ILE A 71 6.995 0.858 8.885 1.00 14.11 H new ATOM 0 HD11 ILE A 71 6.583 3.595 6.207 1.00 1.13 H new ATOM 0 HD12 ILE A 71 7.109 2.760 7.688 1.00 1.13 H new ATOM 0 HD13 ILE A 71 7.758 2.263 6.107 1.00 1.13 H new ATOM 1156 N ALA A 72 6.640 -2.703 6.440 1.00 12.03 N ATOM 1157 CA ALA A 72 6.704 -4.132 6.770 1.00 73.23 C ATOM 1158 C ALA A 72 6.354 -4.958 5.525 1.00 30.45 C ATOM 1159 O ALA A 72 5.652 -4.467 4.637 1.00 32.13 O ATOM 1160 CB ALA A 72 5.735 -4.444 7.925 1.00 73.33 C ATOM 0 H ALA A 72 5.834 -2.453 5.867 1.00 12.03 H new ATOM 0 HA ALA A 72 7.713 -4.392 7.090 1.00 73.23 H new ATOM 0 HB1 ALA A 72 5.786 -5.506 8.166 1.00 73.33 H new ATOM 0 HB2 ALA A 72 6.013 -3.859 8.802 1.00 73.33 H new ATOM 0 HB3 ALA A 72 4.718 -4.188 7.626 1.00 73.33 H new ATOM 1166 N MET A 73 6.883 -6.184 5.450 1.00 34.20 N ATOM 1167 CA MET A 73 6.542 -7.152 4.396 1.00 55.15 C ATOM 1168 C MET A 73 6.862 -8.567 4.891 1.00 11.10 C ATOM 1169 O MET A 73 7.867 -8.778 5.586 1.00 41.21 O ATOM 1170 CB MET A 73 7.297 -6.827 3.065 1.00 41.41 C ATOM 1171 CG MET A 73 7.001 -7.783 1.891 1.00 40.10 C ATOM 1172 SD MET A 73 7.550 -7.151 0.291 1.00 0.01 S ATOM 1173 CE MET A 73 6.442 -5.758 0.049 1.00 64.51 C ATOM 0 H MET A 73 7.564 -6.537 6.122 1.00 34.20 H new ATOM 0 HA MET A 73 5.476 -7.086 4.178 1.00 55.15 H new ATOM 0 HB2 MET A 73 7.041 -5.812 2.760 1.00 41.41 H new ATOM 0 HB3 MET A 73 8.369 -6.840 3.262 1.00 41.41 H new ATOM 0 HG2 MET A 73 7.487 -8.740 2.081 1.00 40.10 H new ATOM 0 HG3 MET A 73 5.928 -7.973 1.849 1.00 40.10 H new ATOM 0 HE1 MET A 73 6.439 -5.474 -1.003 1.00 64.51 H new ATOM 0 HE2 MET A 73 5.433 -6.038 0.353 1.00 64.51 H new ATOM 0 HE3 MET A 73 6.781 -4.915 0.651 1.00 64.51 H new ATOM 1183 N SER A 74 5.980 -9.523 4.564 1.00 74.33 N ATOM 1184 CA SER A 74 6.193 -10.943 4.855 1.00 73.01 C ATOM 1185 C SER A 74 7.140 -11.548 3.816 1.00 60.42 C ATOM 1186 O SER A 74 7.325 -10.991 2.724 1.00 41.13 O ATOM 1187 CB SER A 74 4.849 -11.695 4.867 1.00 34.30 C ATOM 1188 OG SER A 74 3.947 -11.102 5.783 1.00 33.42 O ATOM 0 H SER A 74 5.098 -9.330 4.089 1.00 74.33 H new ATOM 0 HA SER A 74 6.646 -11.040 5.842 1.00 73.01 H new ATOM 0 HB2 SER A 74 4.415 -11.689 3.867 1.00 34.30 H new ATOM 0 HB3 SER A 74 5.014 -12.738 5.136 1.00 34.30 H new ATOM 0 HG SER A 74 3.751 -10.184 5.501 1.00 33.42 H new ATOM 1194 N ARG A 75 7.694 -12.715 4.141 1.00 64.45 N ATOM 1195 CA ARG A 75 8.710 -13.379 3.313 1.00 20.22 C ATOM 1196 C ARG A 75 8.018 -14.324 2.316 1.00 23.12 C ATOM 1197 O ARG A 75 6.814 -14.599 2.437 1.00 24.30 O ATOM 1198 CB ARG A 75 9.717 -14.121 4.242 1.00 54.41 C ATOM 1199 CG ARG A 75 10.346 -13.207 5.326 1.00 72.10 C ATOM 1200 CD ARG A 75 11.011 -11.939 4.743 1.00 14.21 C ATOM 1201 NE ARG A 75 11.387 -10.963 5.787 1.00 63.32 N ATOM 1202 CZ ARG A 75 11.178 -9.635 5.710 1.00 61.40 C ATOM 1203 NH1 ARG A 75 10.586 -9.095 4.644 1.00 32.05 N ATOM 1204 NH2 ARG A 75 11.577 -8.851 6.709 1.00 42.41 N ATOM 0 H ARG A 75 7.453 -13.231 4.987 1.00 64.45 H new ATOM 0 HA ARG A 75 9.274 -12.651 2.730 1.00 20.22 H new ATOM 0 HB2 ARG A 75 9.206 -14.951 4.730 1.00 54.41 H new ATOM 0 HB3 ARG A 75 10.513 -14.550 3.633 1.00 54.41 H new ATOM 0 HG2 ARG A 75 9.573 -12.911 6.035 1.00 72.10 H new ATOM 0 HG3 ARG A 75 11.090 -13.775 5.884 1.00 72.10 H new ATOM 0 HD2 ARG A 75 11.900 -12.225 4.181 1.00 14.21 H new ATOM 0 HD3 ARG A 75 10.327 -11.466 4.038 1.00 14.21 H new ATOM 0 HE ARG A 75 11.838 -11.322 6.628 1.00 63.32 H new ATOM 0 HH11 ARG A 75 10.284 -9.690 3.872 1.00 32.05 H new ATOM 0 HH12 ARG A 75 10.435 -8.087 4.601 1.00 32.05 H new ATOM 0 HH21 ARG A 75 12.037 -9.257 7.524 1.00 42.41 H new ATOM 0 HH22 ARG A 75 11.423 -7.844 6.660 1.00 42.41 H new ATOM 1218 N ALA A 76 8.772 -14.775 1.307 1.00 40.44 N ATOM 1219 CA ALA A 76 8.266 -15.693 0.284 1.00 73.00 C ATOM 1220 C ALA A 76 7.969 -17.063 0.914 1.00 41.14 C ATOM 1221 O ALA A 76 8.866 -17.703 1.474 1.00 13.12 O ATOM 1222 CB ALA A 76 9.275 -15.825 -0.862 1.00 42.12 C ATOM 0 H ALA A 76 9.749 -14.513 1.178 1.00 40.44 H new ATOM 0 HA ALA A 76 7.340 -15.292 -0.128 1.00 73.00 H new ATOM 0 HB1 ALA A 76 8.884 -16.511 -1.614 1.00 42.12 H new ATOM 0 HB2 ALA A 76 9.442 -14.847 -1.314 1.00 42.12 H new ATOM 0 HB3 ALA A 76 10.218 -16.211 -0.474 1.00 42.12 H new ATOM 1228 N GLY A 77 6.696 -17.484 0.817 1.00 4.13 N ATOM 1229 CA GLY A 77 6.208 -18.720 1.444 1.00 41.00 C ATOM 1230 C GLY A 77 5.419 -18.464 2.718 1.00 51.35 C ATOM 1231 O GLY A 77 4.661 -19.335 3.156 1.00 71.21 O ATOM 0 H GLY A 77 5.978 -16.975 0.301 1.00 4.13 H new ATOM 0 HA2 GLY A 77 5.579 -19.258 0.735 1.00 41.00 H new ATOM 0 HA3 GLY A 77 7.056 -19.366 1.671 1.00 41.00 H new ATOM 1235 N SER A 78 5.575 -17.263 3.308 1.00 72.25 N ATOM 1236 CA SER A 78 4.846 -16.885 4.522 1.00 30.35 C ATOM 1237 C SER A 78 3.376 -16.625 4.149 1.00 42.23 C ATOM 1238 O SER A 78 3.086 -15.740 3.334 1.00 61.24 O ATOM 1239 CB SER A 78 5.488 -15.630 5.152 1.00 10.12 C ATOM 1240 OG SER A 78 6.874 -15.831 5.400 1.00 73.32 O ATOM 0 H SER A 78 6.203 -16.540 2.958 1.00 72.25 H new ATOM 0 HA SER A 78 4.893 -17.688 5.257 1.00 30.35 H new ATOM 0 HB2 SER A 78 5.355 -14.777 4.486 1.00 10.12 H new ATOM 0 HB3 SER A 78 4.980 -15.388 6.086 1.00 10.12 H new ATOM 0 HG SER A 78 7.221 -15.089 5.939 1.00 73.32 H new ATOM 1246 N ARG A 79 2.467 -17.417 4.733 1.00 25.44 N ATOM 1247 CA ARG A 79 1.034 -17.407 4.387 1.00 64.11 C ATOM 1248 C ARG A 79 0.180 -17.298 5.674 1.00 11.55 C ATOM 1249 O ARG A 79 0.407 -18.064 6.615 1.00 44.12 O ATOM 1250 CB ARG A 79 0.669 -18.682 3.586 1.00 5.23 C ATOM 1251 CG ARG A 79 1.284 -18.740 2.168 1.00 72.44 C ATOM 1252 CD ARG A 79 0.928 -20.031 1.420 1.00 71.34 C ATOM 1253 NE ARG A 79 1.473 -20.062 0.050 1.00 50.34 N ATOM 1254 CZ ARG A 79 1.528 -21.161 -0.724 1.00 15.32 C ATOM 1255 NH1 ARG A 79 1.055 -22.329 -0.288 1.00 23.32 N ATOM 1256 NH2 ARG A 79 2.037 -21.073 -1.946 1.00 34.34 N ATOM 0 H ARG A 79 2.704 -18.088 5.464 1.00 25.44 H new ATOM 0 HA ARG A 79 0.823 -16.540 3.761 1.00 64.11 H new ATOM 0 HB2 ARG A 79 0.997 -19.556 4.148 1.00 5.23 H new ATOM 0 HB3 ARG A 79 -0.416 -18.746 3.502 1.00 5.23 H new ATOM 0 HG2 ARG A 79 0.937 -17.883 1.591 1.00 72.44 H new ATOM 0 HG3 ARG A 79 2.368 -18.656 2.243 1.00 72.44 H new ATOM 0 HD2 ARG A 79 1.309 -20.886 1.978 1.00 71.34 H new ATOM 0 HD3 ARG A 79 -0.156 -20.135 1.378 1.00 71.34 H new ATOM 0 HE ARG A 79 1.833 -19.190 -0.338 1.00 50.34 H new ATOM 0 HH11 ARG A 79 0.645 -22.397 0.643 1.00 23.32 H new ATOM 0 HH12 ARG A 79 1.103 -23.154 -0.886 1.00 23.32 H new ATOM 0 HH21 ARG A 79 2.382 -20.178 -2.291 1.00 34.34 H new ATOM 0 HH22 ARG A 79 2.083 -21.901 -2.540 1.00 34.34 H new ATOM 1270 N PRO A 80 -0.814 -16.347 5.756 1.00 75.51 N ATOM 1271 CA PRO A 80 -1.122 -15.354 4.687 1.00 71.14 C ATOM 1272 C PRO A 80 -0.036 -14.260 4.578 1.00 74.11 C ATOM 1273 O PRO A 80 0.420 -13.725 5.596 1.00 54.30 O ATOM 1274 CB PRO A 80 -2.475 -14.764 5.145 1.00 51.43 C ATOM 1275 CG PRO A 80 -2.461 -14.888 6.632 1.00 21.13 C ATOM 1276 CD PRO A 80 -1.726 -16.181 6.925 1.00 2.23 C ATOM 0 HA PRO A 80 -1.158 -15.801 3.693 1.00 71.14 H new ATOM 0 HB2 PRO A 80 -2.578 -13.724 4.836 1.00 51.43 H new ATOM 0 HB3 PRO A 80 -3.312 -15.310 4.710 1.00 51.43 H new ATOM 0 HG2 PRO A 80 -1.957 -14.038 7.092 1.00 21.13 H new ATOM 0 HG3 PRO A 80 -3.474 -14.913 7.033 1.00 21.13 H new ATOM 0 HD2 PRO A 80 -1.170 -16.121 7.861 1.00 2.23 H new ATOM 0 HD3 PRO A 80 -2.415 -17.021 7.017 1.00 2.23 H new ATOM 1284 N TRP A 81 0.391 -13.973 3.342 1.00 70.32 N ATOM 1285 CA TRP A 81 1.391 -12.929 3.068 1.00 14.24 C ATOM 1286 C TRP A 81 0.765 -11.554 3.325 1.00 41.03 C ATOM 1287 O TRP A 81 -0.353 -11.314 2.910 1.00 43.43 O ATOM 1288 CB TRP A 81 1.910 -13.049 1.606 1.00 30.24 C ATOM 1289 CG TRP A 81 2.951 -12.005 1.226 1.00 72.42 C ATOM 1290 CD1 TRP A 81 4.304 -12.091 1.395 1.00 61.34 C ATOM 1291 CD2 TRP A 81 2.714 -10.719 0.623 1.00 23.10 C ATOM 1292 NE1 TRP A 81 4.909 -10.933 0.975 1.00 0.32 N ATOM 1293 CE2 TRP A 81 3.959 -10.085 0.485 1.00 13.43 C ATOM 1294 CE3 TRP A 81 1.566 -10.047 0.198 1.00 31.15 C ATOM 1295 CZ2 TRP A 81 4.088 -8.812 -0.067 1.00 72.53 C ATOM 1296 CZ3 TRP A 81 1.694 -8.791 -0.355 1.00 15.00 C ATOM 1297 CH2 TRP A 81 2.947 -8.180 -0.482 1.00 0.13 C ATOM 0 H TRP A 81 0.056 -14.454 2.507 1.00 70.32 H new ATOM 0 HA TRP A 81 2.246 -13.054 3.732 1.00 14.24 H new ATOM 0 HB2 TRP A 81 2.338 -14.041 1.465 1.00 30.24 H new ATOM 0 HB3 TRP A 81 1.064 -12.967 0.924 1.00 30.24 H new ATOM 0 HD1 TRP A 81 4.823 -12.947 1.801 1.00 61.34 H new ATOM 0 HE1 TRP A 81 5.909 -10.738 1.022 1.00 0.32 H new ATOM 0 HE3 TRP A 81 0.593 -10.504 0.301 1.00 31.15 H new ATOM 0 HZ2 TRP A 81 5.055 -8.340 -0.164 1.00 72.53 H new ATOM 0 HZ3 TRP A 81 0.812 -8.269 -0.696 1.00 15.00 H new ATOM 0 HH2 TRP A 81 3.015 -7.193 -0.915 1.00 0.13 H new ATOM 1308 N LYS A 82 1.457 -10.687 4.062 1.00 71.44 N ATOM 1309 CA LYS A 82 1.006 -9.308 4.299 1.00 71.34 C ATOM 1310 C LYS A 82 2.169 -8.316 4.150 1.00 15.11 C ATOM 1311 O LYS A 82 3.320 -8.668 4.361 1.00 0.52 O ATOM 1312 CB LYS A 82 0.359 -9.226 5.705 1.00 65.21 C ATOM 1313 CG LYS A 82 -0.122 -7.818 6.104 1.00 24.42 C ATOM 1314 CD LYS A 82 -0.918 -7.793 7.421 1.00 0.43 C ATOM 1315 CE LYS A 82 -2.229 -8.593 7.350 1.00 53.01 C ATOM 1316 NZ LYS A 82 -3.207 -8.164 8.388 1.00 61.22 N ATOM 0 H LYS A 82 2.343 -10.915 4.512 1.00 71.44 H new ATOM 0 HA LYS A 82 0.262 -9.033 3.552 1.00 71.34 H new ATOM 0 HB2 LYS A 82 -0.489 -9.910 5.742 1.00 65.21 H new ATOM 0 HB3 LYS A 82 1.081 -9.573 6.444 1.00 65.21 H new ATOM 0 HG2 LYS A 82 0.742 -7.160 6.198 1.00 24.42 H new ATOM 0 HG3 LYS A 82 -0.744 -7.415 5.305 1.00 24.42 H new ATOM 0 HD2 LYS A 82 -0.297 -8.195 8.221 1.00 0.43 H new ATOM 0 HD3 LYS A 82 -1.144 -6.759 7.682 1.00 0.43 H new ATOM 0 HE2 LYS A 82 -2.674 -8.472 6.362 1.00 53.01 H new ATOM 0 HE3 LYS A 82 -2.012 -9.654 7.474 1.00 53.01 H new ATOM 0 HZ1 LYS A 82 -4.069 -8.742 8.313 1.00 61.22 H new ATOM 0 HZ2 LYS A 82 -2.788 -8.288 9.332 1.00 61.22 H new ATOM 0 HZ3 LYS A 82 -3.448 -7.163 8.245 1.00 61.22 H new ATOM 1330 N ALA A 83 1.837 -7.064 3.807 1.00 3.30 N ATOM 1331 CA ALA A 83 2.795 -5.968 3.674 1.00 11.23 C ATOM 1332 C ALA A 83 2.121 -4.665 4.100 1.00 72.22 C ATOM 1333 O ALA A 83 0.949 -4.446 3.800 1.00 44.00 O ATOM 1334 CB ALA A 83 3.308 -5.860 2.233 1.00 73.00 C ATOM 0 H ALA A 83 0.876 -6.784 3.611 1.00 3.30 H new ATOM 0 HA ALA A 83 3.654 -6.164 4.316 1.00 11.23 H new ATOM 0 HB1 ALA A 83 4.019 -5.037 2.161 1.00 73.00 H new ATOM 0 HB2 ALA A 83 3.800 -6.791 1.951 1.00 73.00 H new ATOM 0 HB3 ALA A 83 2.470 -5.675 1.561 1.00 73.00 H new ATOM 1340 N TYR A 84 2.871 -3.820 4.807 1.00 71.20 N ATOM 1341 CA TYR A 84 2.433 -2.481 5.217 1.00 73.22 C ATOM 1342 C TYR A 84 3.267 -1.443 4.454 1.00 32.55 C ATOM 1343 O TYR A 84 4.492 -1.410 4.576 1.00 62.30 O ATOM 1344 CB TYR A 84 2.576 -2.315 6.751 1.00 51.42 C ATOM 1345 CG TYR A 84 1.565 -3.157 7.547 1.00 34.24 C ATOM 1346 CD1 TYR A 84 0.209 -2.835 7.537 1.00 14.14 C ATOM 1347 CD2 TYR A 84 1.959 -4.261 8.310 1.00 2.12 C ATOM 1348 CE1 TYR A 84 -0.712 -3.572 8.245 1.00 64.01 C ATOM 1349 CE2 TYR A 84 1.035 -5.002 9.020 1.00 15.21 C ATOM 1350 CZ TYR A 84 -0.295 -4.650 8.987 1.00 23.04 C ATOM 1351 OH TYR A 84 -1.227 -5.387 9.694 1.00 3.23 O ATOM 0 H TYR A 84 3.816 -4.048 5.117 1.00 71.20 H new ATOM 0 HA TYR A 84 1.380 -2.335 4.977 1.00 73.22 H new ATOM 0 HB2 TYR A 84 3.587 -2.596 7.048 1.00 51.42 H new ATOM 0 HB3 TYR A 84 2.448 -1.264 7.010 1.00 51.42 H new ATOM 0 HD1 TYR A 84 -0.127 -1.986 6.959 1.00 14.14 H new ATOM 0 HD2 TYR A 84 3.002 -4.538 8.344 1.00 2.12 H new ATOM 0 HE1 TYR A 84 -1.758 -3.304 8.217 1.00 64.01 H new ATOM 0 HE2 TYR A 84 1.355 -5.855 9.599 1.00 15.21 H new ATOM 0 HH TYR A 84 -2.046 -5.476 9.162 1.00 3.23 H new ATOM 1361 N LEU A 85 2.585 -0.628 3.641 1.00 51.30 N ATOM 1362 CA LEU A 85 3.210 0.336 2.723 1.00 63.23 C ATOM 1363 C LEU A 85 2.749 1.755 3.049 1.00 71.32 C ATOM 1364 O LEU A 85 1.587 1.972 3.340 1.00 14.13 O ATOM 1365 CB LEU A 85 2.808 -0.001 1.270 1.00 55.31 C ATOM 1366 CG LEU A 85 3.135 -1.436 0.776 1.00 3.41 C ATOM 1367 CD1 LEU A 85 2.657 -1.614 -0.675 1.00 21.14 C ATOM 1368 CD2 LEU A 85 4.635 -1.760 0.928 1.00 21.34 C ATOM 0 H LEU A 85 1.566 -0.618 3.601 1.00 51.30 H new ATOM 0 HA LEU A 85 4.292 0.275 2.836 1.00 63.23 H new ATOM 0 HB2 LEU A 85 1.735 0.159 1.167 1.00 55.31 H new ATOM 0 HB3 LEU A 85 3.301 0.709 0.606 1.00 55.31 H new ATOM 0 HG LEU A 85 2.598 -2.148 1.403 1.00 3.41 H new ATOM 0 HD11 LEU A 85 2.890 -2.623 -1.014 1.00 21.14 H new ATOM 0 HD12 LEU A 85 1.580 -1.454 -0.725 1.00 21.14 H new ATOM 0 HD13 LEU A 85 3.162 -0.891 -1.316 1.00 21.14 H new ATOM 0 HD21 LEU A 85 4.826 -2.772 0.572 1.00 21.34 H new ATOM 0 HD22 LEU A 85 5.221 -1.052 0.342 1.00 21.34 H new ATOM 0 HD23 LEU A 85 4.919 -1.685 1.978 1.00 21.34 H new ATOM 1380 N SER A 86 3.646 2.718 2.933 1.00 44.31 N ATOM 1381 CA SER A 86 3.358 4.115 3.254 1.00 64.45 C ATOM 1382 C SER A 86 3.812 5.002 2.100 1.00 34.13 C ATOM 1383 O SER A 86 4.790 4.689 1.415 1.00 32.21 O ATOM 1384 CB SER A 86 4.082 4.510 4.550 1.00 22.12 C ATOM 1385 OG SER A 86 5.487 4.377 4.412 1.00 64.42 O ATOM 0 H SER A 86 4.601 2.558 2.612 1.00 44.31 H new ATOM 0 HA SER A 86 2.286 4.244 3.401 1.00 64.45 H new ATOM 0 HB2 SER A 86 3.835 5.540 4.809 1.00 22.12 H new ATOM 0 HB3 SER A 86 3.733 3.883 5.370 1.00 22.12 H new ATOM 0 HG SER A 86 5.932 5.133 4.850 1.00 64.42 H new ATOM 1391 N ALA A 87 3.089 6.086 1.883 1.00 21.30 N ATOM 1392 CA ALA A 87 3.452 7.110 0.909 1.00 60.02 C ATOM 1393 C ALA A 87 2.921 8.455 1.387 1.00 13.24 C ATOM 1394 O ALA A 87 2.140 8.532 2.345 1.00 53.41 O ATOM 1395 CB ALA A 87 2.886 6.758 -0.481 1.00 23.13 C ATOM 0 H ALA A 87 2.222 6.286 2.382 1.00 21.30 H new ATOM 0 HA ALA A 87 4.537 7.163 0.819 1.00 60.02 H new ATOM 0 HB1 ALA A 87 3.166 7.533 -1.195 1.00 23.13 H new ATOM 0 HB2 ALA A 87 3.291 5.800 -0.807 1.00 23.13 H new ATOM 0 HB3 ALA A 87 1.799 6.692 -0.425 1.00 23.13 H new ATOM 1401 N GLN A 88 3.380 9.507 0.734 1.00 62.41 N ATOM 1402 CA GLN A 88 2.843 10.853 0.889 1.00 10.23 C ATOM 1403 C GLN A 88 3.125 11.589 -0.404 1.00 4.11 C ATOM 1404 O GLN A 88 4.222 11.470 -0.933 1.00 3.13 O ATOM 1405 CB GLN A 88 3.476 11.582 2.106 1.00 51.25 C ATOM 1406 CG GLN A 88 2.921 13.000 2.366 1.00 55.13 C ATOM 1407 CD GLN A 88 3.432 13.632 3.663 1.00 63.15 C ATOM 1408 OE1 GLN A 88 3.725 12.943 4.636 1.00 24.13 O ATOM 1409 NE2 GLN A 88 3.528 14.950 3.691 1.00 24.42 N ATOM 0 H GLN A 88 4.151 9.452 0.068 1.00 62.41 H new ATOM 0 HA GLN A 88 1.772 10.818 1.086 1.00 10.23 H new ATOM 0 HB2 GLN A 88 3.319 10.975 2.998 1.00 51.25 H new ATOM 0 HB3 GLN A 88 4.553 11.650 1.952 1.00 51.25 H new ATOM 0 HG2 GLN A 88 3.188 13.644 1.528 1.00 55.13 H new ATOM 0 HG3 GLN A 88 1.832 12.954 2.399 1.00 55.13 H new ATOM 0 HE21 GLN A 88 3.278 15.497 2.867 1.00 24.42 H new ATOM 0 HE22 GLN A 88 3.852 15.420 4.536 1.00 24.42 H new ATOM 1418 N ASP A 89 2.140 12.308 -0.940 1.00 15.41 N ATOM 1419 CA ASP A 89 2.325 13.044 -2.203 1.00 15.24 C ATOM 1420 C ASP A 89 2.769 14.492 -1.907 1.00 75.41 C ATOM 1421 O ASP A 89 2.907 14.869 -0.735 1.00 15.11 O ATOM 1422 CB ASP A 89 1.022 12.972 -3.060 1.00 50.43 C ATOM 1423 CG ASP A 89 0.013 14.065 -2.733 1.00 4.11 C ATOM 1424 OD1 ASP A 89 -0.424 14.155 -1.575 1.00 44.21 O ATOM 1425 OD2 ASP A 89 -0.316 14.863 -3.634 1.00 40.33 O ATOM 0 H ASP A 89 1.211 12.400 -0.529 1.00 15.41 H new ATOM 0 HA ASP A 89 3.117 12.581 -2.792 1.00 15.24 H new ATOM 0 HB2 ASP A 89 1.287 13.039 -4.115 1.00 50.43 H new ATOM 0 HB3 ASP A 89 0.552 12.000 -2.910 1.00 50.43 H new ATOM 1430 N ASP A 90 2.970 15.294 -2.968 1.00 64.12 N ATOM 1431 CA ASP A 90 3.438 16.691 -2.855 1.00 2.21 C ATOM 1432 C ASP A 90 2.411 17.598 -2.129 1.00 4.52 C ATOM 1433 O ASP A 90 2.810 18.548 -1.443 1.00 22.50 O ATOM 1434 CB ASP A 90 3.798 17.243 -4.264 1.00 15.24 C ATOM 1435 CG ASP A 90 4.207 18.731 -4.272 1.00 63.33 C ATOM 1436 OD1 ASP A 90 5.372 19.044 -3.945 1.00 73.35 O ATOM 1437 OD2 ASP A 90 3.368 19.596 -4.618 1.00 15.21 O ATOM 0 H ASP A 90 2.813 14.993 -3.930 1.00 64.12 H new ATOM 0 HA ASP A 90 4.336 16.698 -2.237 1.00 2.21 H new ATOM 0 HB2 ASP A 90 4.615 16.651 -4.677 1.00 15.24 H new ATOM 0 HB3 ASP A 90 2.941 17.109 -4.925 1.00 15.24 H new ATOM 1442 N THR A 91 1.100 17.271 -2.224 1.00 2.22 N ATOM 1443 CA THR A 91 0.043 18.069 -1.553 1.00 62.44 C ATOM 1444 C THR A 91 -0.022 17.728 -0.049 1.00 73.34 C ATOM 1445 O THR A 91 -0.739 18.388 0.703 1.00 10.33 O ATOM 1446 CB THR A 91 -1.383 17.904 -2.196 1.00 53.34 C ATOM 1447 OG1 THR A 91 -1.968 16.642 -1.861 1.00 73.11 O ATOM 1448 CG2 THR A 91 -1.346 18.044 -3.727 1.00 64.32 C ATOM 0 H THR A 91 0.751 16.471 -2.751 1.00 2.22 H new ATOM 0 HA THR A 91 0.329 19.112 -1.690 1.00 62.44 H new ATOM 0 HB THR A 91 -1.994 18.707 -1.783 1.00 53.34 H new ATOM 0 HG1 THR A 91 -1.266 15.960 -1.806 1.00 73.11 H new ATOM 0 HG21 THR A 91 -2.352 17.923 -4.128 1.00 64.32 H new ATOM 0 HG22 THR A 91 -0.966 19.030 -3.993 1.00 64.32 H new ATOM 0 HG23 THR A 91 -0.694 17.278 -4.147 1.00 64.32 H new ATOM 1456 N GLY A 92 0.730 16.683 0.369 1.00 23.22 N ATOM 1457 CA GLY A 92 0.887 16.338 1.786 1.00 72.32 C ATOM 1458 C GLY A 92 -0.118 15.327 2.308 1.00 42.22 C ATOM 1459 O GLY A 92 -0.313 15.216 3.529 1.00 64.54 O ATOM 0 H GLY A 92 1.237 16.066 -0.266 1.00 23.22 H new ATOM 0 HA2 GLY A 92 1.892 15.944 1.941 1.00 72.32 H new ATOM 0 HA3 GLY A 92 0.807 17.249 2.379 1.00 72.32 H new ATOM 1463 N CYS A 93 -0.763 14.581 1.398 1.00 65.15 N ATOM 1464 CA CYS A 93 -1.698 13.512 1.778 1.00 62.42 C ATOM 1465 C CYS A 93 -0.911 12.266 2.200 1.00 32.12 C ATOM 1466 O CYS A 93 -0.135 11.730 1.414 1.00 64.32 O ATOM 1467 CB CYS A 93 -2.632 13.180 0.597 1.00 45.03 C ATOM 1468 SG CYS A 93 -3.453 14.621 -0.100 1.00 12.43 S ATOM 0 H CYS A 93 -0.653 14.699 0.391 1.00 65.15 H new ATOM 0 HA CYS A 93 -2.307 13.849 2.617 1.00 62.42 H new ATOM 0 HB2 CYS A 93 -2.054 12.688 -0.185 1.00 45.03 H new ATOM 0 HB3 CYS A 93 -3.387 12.468 0.931 1.00 45.03 H new ATOM 0 HG CYS A 93 -2.591 15.332 -0.765 1.00 12.43 H new ATOM 1474 N LEU A 94 -1.136 11.809 3.437 1.00 44.51 N ATOM 1475 CA LEU A 94 -0.449 10.637 4.003 1.00 51.25 C ATOM 1476 C LEU A 94 -1.292 9.385 3.677 1.00 63.41 C ATOM 1477 O LEU A 94 -2.472 9.330 4.018 1.00 70.54 O ATOM 1478 CB LEU A 94 -0.249 10.819 5.550 1.00 52.15 C ATOM 1479 CG LEU A 94 0.879 9.967 6.252 1.00 4.23 C ATOM 1480 CD1 LEU A 94 0.491 8.484 6.414 1.00 31.35 C ATOM 1481 CD2 LEU A 94 2.227 10.103 5.511 1.00 53.00 C ATOM 0 H LEU A 94 -1.801 12.241 4.078 1.00 44.51 H new ATOM 0 HA LEU A 94 0.543 10.523 3.567 1.00 51.25 H new ATOM 0 HB2 LEU A 94 -0.040 11.872 5.739 1.00 52.15 H new ATOM 0 HB3 LEU A 94 -1.196 10.589 6.039 1.00 52.15 H new ATOM 0 HG LEU A 94 0.993 10.376 7.256 1.00 4.23 H new ATOM 0 HD11 LEU A 94 1.304 7.947 6.902 1.00 31.35 H new ATOM 0 HD12 LEU A 94 -0.411 8.408 7.021 1.00 31.35 H new ATOM 0 HD13 LEU A 94 0.305 8.047 5.433 1.00 31.35 H new ATOM 0 HD21 LEU A 94 2.983 9.505 6.019 1.00 53.00 H new ATOM 0 HD22 LEU A 94 2.115 9.752 4.485 1.00 53.00 H new ATOM 0 HD23 LEU A 94 2.535 11.149 5.505 1.00 53.00 H new ATOM 1493 N PHE A 95 -0.674 8.403 3.010 1.00 62.51 N ATOM 1494 CA PHE A 95 -1.325 7.151 2.594 1.00 13.34 C ATOM 1495 C PHE A 95 -0.721 5.961 3.356 1.00 5.50 C ATOM 1496 O PHE A 95 0.504 5.829 3.469 1.00 65.14 O ATOM 1497 CB PHE A 95 -1.155 6.945 1.073 1.00 24.21 C ATOM 1498 CG PHE A 95 -1.833 8.016 0.218 1.00 53.02 C ATOM 1499 CD1 PHE A 95 -3.199 7.942 -0.064 1.00 32.42 C ATOM 1500 CD2 PHE A 95 -1.108 9.085 -0.313 1.00 31.22 C ATOM 1501 CE1 PHE A 95 -3.815 8.898 -0.849 1.00 45.22 C ATOM 1502 CE2 PHE A 95 -1.729 10.042 -1.097 1.00 2.30 C ATOM 1503 CZ PHE A 95 -3.079 9.945 -1.364 1.00 12.01 C ATOM 0 H PHE A 95 0.308 8.455 2.739 1.00 62.51 H new ATOM 0 HA PHE A 95 -2.388 7.215 2.826 1.00 13.34 H new ATOM 0 HB2 PHE A 95 -0.091 6.926 0.836 1.00 24.21 H new ATOM 0 HB3 PHE A 95 -1.559 5.970 0.802 1.00 24.21 H new ATOM 0 HD1 PHE A 95 -3.782 7.126 0.337 1.00 32.42 H new ATOM 0 HD2 PHE A 95 -0.050 9.166 -0.110 1.00 31.22 H new ATOM 0 HE1 PHE A 95 -4.872 8.826 -1.059 1.00 45.22 H new ATOM 0 HE2 PHE A 95 -1.157 10.865 -1.500 1.00 2.30 H new ATOM 0 HZ PHE A 95 -3.561 10.691 -1.978 1.00 12.01 H new ATOM 1513 N LEU A 96 -1.607 5.123 3.896 1.00 65.12 N ATOM 1514 CA LEU A 96 -1.267 3.870 4.578 1.00 21.40 C ATOM 1515 C LEU A 96 -1.977 2.719 3.853 1.00 51.14 C ATOM 1516 O LEU A 96 -3.191 2.747 3.695 1.00 11.34 O ATOM 1517 CB LEU A 96 -1.730 3.955 6.054 1.00 1.11 C ATOM 1518 CG LEU A 96 -1.133 5.123 6.889 1.00 22.41 C ATOM 1519 CD1 LEU A 96 -1.808 5.223 8.260 1.00 13.12 C ATOM 1520 CD2 LEU A 96 0.395 5.007 7.030 1.00 51.51 C ATOM 0 H LEU A 96 -2.611 5.301 3.871 1.00 65.12 H new ATOM 0 HA LEU A 96 -0.191 3.698 4.562 1.00 21.40 H new ATOM 0 HB2 LEU A 96 -2.816 4.042 6.069 1.00 1.11 H new ATOM 0 HB3 LEU A 96 -1.479 3.016 6.548 1.00 1.11 H new ATOM 0 HG LEU A 96 -1.337 6.045 6.344 1.00 22.41 H new ATOM 0 HD11 LEU A 96 -1.370 6.048 8.822 1.00 13.12 H new ATOM 0 HD12 LEU A 96 -2.875 5.400 8.128 1.00 13.12 H new ATOM 0 HD13 LEU A 96 -1.659 4.292 8.808 1.00 13.12 H new ATOM 0 HD21 LEU A 96 0.770 5.843 7.620 1.00 51.51 H new ATOM 0 HD22 LEU A 96 0.644 4.070 7.528 1.00 51.51 H new ATOM 0 HD23 LEU A 96 0.854 5.026 6.042 1.00 51.51 H new ATOM 1532 N THR A 97 -1.221 1.721 3.407 1.00 60.43 N ATOM 1533 CA THR A 97 -1.740 0.594 2.607 1.00 4.55 C ATOM 1534 C THR A 97 -1.343 -0.759 3.223 1.00 5.50 C ATOM 1535 O THR A 97 -0.310 -0.878 3.876 1.00 22.11 O ATOM 1536 CB THR A 97 -1.191 0.686 1.137 1.00 22.22 C ATOM 1537 OG1 THR A 97 -1.479 1.992 0.606 1.00 63.21 O ATOM 1538 CG2 THR A 97 -1.798 -0.387 0.203 1.00 34.53 C ATOM 0 H THR A 97 -0.219 1.662 3.588 1.00 60.43 H new ATOM 0 HA THR A 97 -2.828 0.659 2.599 1.00 4.55 H new ATOM 0 HB THR A 97 -0.116 0.509 1.180 1.00 22.22 H new ATOM 0 HG1 THR A 97 -1.086 2.076 -0.288 1.00 63.21 H new ATOM 0 HG21 THR A 97 -1.382 -0.275 -0.798 1.00 34.53 H new ATOM 0 HG22 THR A 97 -1.560 -1.379 0.586 1.00 34.53 H new ATOM 0 HG23 THR A 97 -2.880 -0.264 0.162 1.00 34.53 H new ATOM 1546 N GLU A 98 -2.197 -1.769 3.017 1.00 12.34 N ATOM 1547 CA GLU A 98 -1.910 -3.166 3.354 1.00 13.43 C ATOM 1548 C GLU A 98 -2.157 -4.040 2.108 1.00 73.10 C ATOM 1549 O GLU A 98 -3.279 -4.101 1.598 1.00 0.35 O ATOM 1550 CB GLU A 98 -2.810 -3.619 4.533 1.00 23.23 C ATOM 1551 CG GLU A 98 -2.618 -5.088 4.972 1.00 73.45 C ATOM 1552 CD GLU A 98 -3.596 -5.521 6.082 1.00 2.32 C ATOM 1553 OE1 GLU A 98 -3.310 -5.279 7.280 1.00 60.03 O ATOM 1554 OE2 GLU A 98 -4.652 -6.114 5.765 1.00 14.21 O ATOM 0 H GLU A 98 -3.121 -1.635 2.605 1.00 12.34 H new ATOM 0 HA GLU A 98 -0.870 -3.271 3.663 1.00 13.43 H new ATOM 0 HB2 GLU A 98 -2.616 -2.971 5.388 1.00 23.23 H new ATOM 0 HB3 GLU A 98 -3.853 -3.473 4.252 1.00 23.23 H new ATOM 0 HG2 GLU A 98 -2.748 -5.739 4.108 1.00 73.45 H new ATOM 0 HG3 GLU A 98 -1.595 -5.225 5.323 1.00 73.45 H new ATOM 1561 N LEU A 99 -1.093 -4.679 1.599 1.00 2.34 N ATOM 1562 CA LEU A 99 -1.201 -5.681 0.523 1.00 72.54 C ATOM 1563 C LEU A 99 -1.118 -7.065 1.178 1.00 71.51 C ATOM 1564 O LEU A 99 -0.181 -7.337 1.921 1.00 54.30 O ATOM 1565 CB LEU A 99 -0.070 -5.515 -0.531 1.00 31.03 C ATOM 1566 CG LEU A 99 -0.049 -4.176 -1.341 1.00 34.41 C ATOM 1567 CD1 LEU A 99 1.032 -4.217 -2.447 1.00 32.24 C ATOM 1568 CD2 LEU A 99 -1.428 -3.840 -1.935 1.00 31.33 C ATOM 0 H LEU A 99 -0.138 -4.518 1.918 1.00 2.34 H new ATOM 0 HA LEU A 99 -2.145 -5.553 -0.006 1.00 72.54 H new ATOM 0 HB2 LEU A 99 0.888 -5.618 -0.020 1.00 31.03 H new ATOM 0 HB3 LEU A 99 -0.143 -6.340 -1.240 1.00 31.03 H new ATOM 0 HG LEU A 99 0.204 -3.380 -0.641 1.00 34.41 H new ATOM 0 HD11 LEU A 99 1.027 -3.275 -2.996 1.00 32.24 H new ATOM 0 HD12 LEU A 99 2.012 -4.367 -1.993 1.00 32.24 H new ATOM 0 HD13 LEU A 99 0.820 -5.038 -3.132 1.00 32.24 H new ATOM 0 HD21 LEU A 99 -1.367 -2.903 -2.489 1.00 31.33 H new ATOM 0 HD22 LEU A 99 -1.739 -4.639 -2.608 1.00 31.33 H new ATOM 0 HD23 LEU A 99 -2.156 -3.739 -1.130 1.00 31.33 H new ATOM 1580 N LEU A 100 -2.100 -7.924 0.902 1.00 23.12 N ATOM 1581 CA LEU A 100 -2.239 -9.217 1.592 1.00 50.30 C ATOM 1582 C LEU A 100 -2.522 -10.307 0.552 1.00 52.25 C ATOM 1583 O LEU A 100 -3.535 -10.249 -0.095 1.00 63.11 O ATOM 1584 CB LEU A 100 -3.394 -9.092 2.649 1.00 0.02 C ATOM 1585 CG LEU A 100 -3.421 -10.114 3.840 1.00 32.12 C ATOM 1586 CD1 LEU A 100 -4.502 -9.715 4.867 1.00 10.51 C ATOM 1587 CD2 LEU A 100 -3.631 -11.567 3.380 1.00 1.11 C ATOM 0 H LEU A 100 -2.819 -7.750 0.200 1.00 23.12 H new ATOM 0 HA LEU A 100 -1.324 -9.491 2.118 1.00 50.30 H new ATOM 0 HB2 LEU A 100 -3.351 -8.088 3.072 1.00 0.02 H new ATOM 0 HB3 LEU A 100 -4.342 -9.174 2.118 1.00 0.02 H new ATOM 0 HG LEU A 100 -2.439 -10.072 4.310 1.00 32.12 H new ATOM 0 HD11 LEU A 100 -4.508 -10.434 5.687 1.00 10.51 H new ATOM 0 HD12 LEU A 100 -4.284 -8.721 5.257 1.00 10.51 H new ATOM 0 HD13 LEU A 100 -5.479 -9.708 4.383 1.00 10.51 H new ATOM 0 HD21 LEU A 100 -3.640 -12.226 4.248 1.00 1.11 H new ATOM 0 HD22 LEU A 100 -4.582 -11.648 2.853 1.00 1.11 H new ATOM 0 HD23 LEU A 100 -2.820 -11.858 2.712 1.00 1.11 H new ATOM 1599 N LEU A 101 -1.647 -11.317 0.418 1.00 40.22 N ATOM 1600 CA LEU A 101 -1.896 -12.466 -0.467 1.00 42.15 C ATOM 1601 C LEU A 101 -2.442 -13.619 0.402 1.00 35.44 C ATOM 1602 O LEU A 101 -1.812 -13.985 1.410 1.00 31.43 O ATOM 1603 CB LEU A 101 -0.598 -12.900 -1.207 1.00 44.45 C ATOM 1604 CG LEU A 101 -0.762 -14.074 -2.230 1.00 64.02 C ATOM 1605 CD1 LEU A 101 -1.593 -13.651 -3.452 1.00 43.42 C ATOM 1606 CD2 LEU A 101 0.604 -14.644 -2.650 1.00 53.31 C ATOM 0 H LEU A 101 -0.757 -11.360 0.914 1.00 40.22 H new ATOM 0 HA LEU A 101 -2.620 -12.193 -1.235 1.00 42.15 H new ATOM 0 HB2 LEU A 101 -0.196 -12.035 -1.735 1.00 44.45 H new ATOM 0 HB3 LEU A 101 0.143 -13.192 -0.463 1.00 44.45 H new ATOM 0 HG LEU A 101 -1.311 -14.869 -1.726 1.00 64.02 H new ATOM 0 HD11 LEU A 101 -1.684 -14.492 -4.139 1.00 43.42 H new ATOM 0 HD12 LEU A 101 -2.585 -13.339 -3.127 1.00 43.42 H new ATOM 0 HD13 LEU A 101 -1.099 -12.822 -3.958 1.00 43.42 H new ATOM 0 HD21 LEU A 101 0.456 -15.457 -3.360 1.00 53.31 H new ATOM 0 HD22 LEU A 101 1.198 -13.858 -3.116 1.00 53.31 H new ATOM 0 HD23 LEU A 101 1.127 -15.021 -1.771 1.00 53.31 H new ATOM 1618 N GLU A 102 -3.592 -14.180 -0.007 1.00 52.33 N ATOM 1619 CA GLU A 102 -4.335 -15.208 0.753 1.00 60.53 C ATOM 1620 C GLU A 102 -3.518 -16.513 0.925 1.00 30.53 C ATOM 1621 O GLU A 102 -2.713 -16.846 0.063 1.00 62.13 O ATOM 1622 CB GLU A 102 -5.676 -15.490 0.019 1.00 41.41 C ATOM 1623 CG GLU A 102 -6.589 -14.264 -0.159 1.00 33.34 C ATOM 1624 CD GLU A 102 -6.946 -13.590 1.173 1.00 43.32 C ATOM 1625 OE1 GLU A 102 -7.873 -14.073 1.858 1.00 11.12 O ATOM 1626 OE2 GLU A 102 -6.291 -12.601 1.552 1.00 11.13 O ATOM 0 H GLU A 102 -4.041 -13.931 -0.888 1.00 52.33 H new ATOM 0 HA GLU A 102 -4.527 -14.831 1.758 1.00 60.53 H new ATOM 0 HB2 GLU A 102 -5.455 -15.905 -0.964 1.00 41.41 H new ATOM 0 HB3 GLU A 102 -6.222 -16.254 0.572 1.00 41.41 H new ATOM 0 HG2 GLU A 102 -6.095 -13.540 -0.807 1.00 33.34 H new ATOM 0 HG3 GLU A 102 -7.506 -14.569 -0.664 1.00 33.34 H new ATOM 1633 N PRO A 103 -3.728 -17.281 2.048 1.00 30.42 N ATOM 1634 CA PRO A 103 -2.924 -18.484 2.354 1.00 34.03 C ATOM 1635 C PRO A 103 -3.242 -19.650 1.386 1.00 72.43 C ATOM 1636 O PRO A 103 -4.246 -20.357 1.533 1.00 51.34 O ATOM 1637 CB PRO A 103 -3.307 -18.801 3.824 1.00 15.02 C ATOM 1638 CG PRO A 103 -4.695 -18.258 3.991 1.00 52.04 C ATOM 1639 CD PRO A 103 -4.771 -17.041 3.093 1.00 71.24 C ATOM 0 HA PRO A 103 -1.852 -18.329 2.230 1.00 34.03 H new ATOM 0 HB2 PRO A 103 -3.277 -19.873 4.017 1.00 15.02 H new ATOM 0 HB3 PRO A 103 -2.613 -18.332 4.522 1.00 15.02 H new ATOM 0 HG2 PRO A 103 -5.442 -19.000 3.709 1.00 52.04 H new ATOM 0 HG3 PRO A 103 -4.888 -17.990 5.030 1.00 52.04 H new ATOM 0 HD2 PRO A 103 -5.761 -16.937 2.649 1.00 71.24 H new ATOM 0 HD3 PRO A 103 -4.573 -16.125 3.649 1.00 71.24 H new ATOM 1647 N GLY A 104 -2.402 -19.789 0.351 1.00 2.20 N ATOM 1648 CA GLY A 104 -2.578 -20.821 -0.680 1.00 51.21 C ATOM 1649 C GLY A 104 -3.385 -20.329 -1.879 1.00 5.12 C ATOM 1650 O GLY A 104 -3.166 -20.785 -3.006 1.00 62.42 O ATOM 0 H GLY A 104 -1.587 -19.194 0.205 1.00 2.20 H new ATOM 0 HA2 GLY A 104 -1.599 -21.158 -1.021 1.00 51.21 H new ATOM 0 HA3 GLY A 104 -3.078 -21.685 -0.241 1.00 51.21 H new ATOM 1654 N ASN A 105 -4.323 -19.401 -1.629 1.00 51.45 N ATOM 1655 CA ASN A 105 -5.163 -18.790 -2.673 1.00 54.35 C ATOM 1656 C ASN A 105 -4.401 -17.640 -3.357 1.00 10.13 C ATOM 1657 O ASN A 105 -3.773 -16.814 -2.682 1.00 35.33 O ATOM 1658 CB ASN A 105 -6.490 -18.252 -2.065 1.00 74.43 C ATOM 1659 CG ASN A 105 -7.466 -19.328 -1.574 1.00 13.34 C ATOM 1660 OD1 ASN A 105 -7.074 -20.422 -1.166 1.00 71.32 O ATOM 1661 ND2 ASN A 105 -8.756 -19.012 -1.613 1.00 62.14 N ATOM 0 H ASN A 105 -4.521 -19.051 -0.692 1.00 51.45 H new ATOM 0 HA ASN A 105 -5.402 -19.554 -3.412 1.00 54.35 H new ATOM 0 HB2 ASN A 105 -6.248 -17.595 -1.230 1.00 74.43 H new ATOM 0 HB3 ASN A 105 -6.994 -17.642 -2.815 1.00 74.43 H new ATOM 0 HD21 ASN A 105 -9.456 -19.685 -1.299 1.00 62.14 H new ATOM 0 HD22 ASN A 105 -9.047 -18.097 -1.957 1.00 62.14 H new ATOM 1668 N SER A 106 -4.480 -17.590 -4.703 1.00 10.35 N ATOM 1669 CA SER A 106 -3.824 -16.543 -5.513 1.00 74.34 C ATOM 1670 C SER A 106 -4.769 -15.344 -5.688 1.00 42.41 C ATOM 1671 O SER A 106 -5.147 -14.978 -6.802 1.00 32.32 O ATOM 1672 CB SER A 106 -3.362 -17.123 -6.875 1.00 32.32 C ATOM 1673 OG SER A 106 -2.459 -18.197 -6.683 1.00 33.44 O ATOM 0 H SER A 106 -4.998 -18.272 -5.257 1.00 10.35 H new ATOM 0 HA SER A 106 -2.933 -16.189 -4.994 1.00 74.34 H new ATOM 0 HB2 SER A 106 -4.227 -17.466 -7.442 1.00 32.32 H new ATOM 0 HB3 SER A 106 -2.884 -16.341 -7.465 1.00 32.32 H new ATOM 0 HG SER A 106 -2.181 -18.550 -7.554 1.00 33.44 H new ATOM 1679 N GLU A 107 -5.198 -14.783 -4.545 1.00 65.24 N ATOM 1680 CA GLU A 107 -5.995 -13.546 -4.479 1.00 0.21 C ATOM 1681 C GLU A 107 -5.295 -12.589 -3.503 1.00 15.53 C ATOM 1682 O GLU A 107 -4.732 -13.036 -2.506 1.00 50.21 O ATOM 1683 CB GLU A 107 -7.461 -13.812 -4.014 1.00 23.40 C ATOM 1684 CG GLU A 107 -8.329 -14.686 -4.969 1.00 41.32 C ATOM 1685 CD GLU A 107 -8.238 -16.210 -4.714 1.00 4.15 C ATOM 1686 OE1 GLU A 107 -8.909 -16.706 -3.781 1.00 4.42 O ATOM 1687 OE2 GLU A 107 -7.531 -16.926 -5.453 1.00 65.11 O ATOM 0 H GLU A 107 -4.998 -15.182 -3.628 1.00 65.24 H new ATOM 0 HA GLU A 107 -6.060 -13.112 -5.477 1.00 0.21 H new ATOM 0 HB2 GLU A 107 -7.430 -14.296 -3.038 1.00 23.40 H new ATOM 0 HB3 GLU A 107 -7.959 -12.852 -3.878 1.00 23.40 H new ATOM 0 HG2 GLU A 107 -9.370 -14.377 -4.876 1.00 41.32 H new ATOM 0 HG3 GLU A 107 -8.028 -14.485 -5.997 1.00 41.32 H new ATOM 1694 N MET A 108 -5.311 -11.288 -3.792 1.00 14.42 N ATOM 1695 CA MET A 108 -4.638 -10.270 -2.974 1.00 5.31 C ATOM 1696 C MET A 108 -5.644 -9.192 -2.552 1.00 74.43 C ATOM 1697 O MET A 108 -6.355 -8.655 -3.386 1.00 63.15 O ATOM 1698 CB MET A 108 -3.471 -9.625 -3.773 1.00 22.24 C ATOM 1699 CG MET A 108 -2.720 -8.507 -3.025 1.00 3.21 C ATOM 1700 SD MET A 108 -1.305 -7.873 -3.946 1.00 20.12 S ATOM 1701 CE MET A 108 -0.252 -9.322 -4.027 1.00 3.14 C ATOM 0 H MET A 108 -5.793 -10.905 -4.605 1.00 14.42 H new ATOM 0 HA MET A 108 -4.231 -10.746 -2.082 1.00 5.31 H new ATOM 0 HB2 MET A 108 -2.759 -10.405 -4.043 1.00 22.24 H new ATOM 0 HB3 MET A 108 -3.867 -9.219 -4.704 1.00 22.24 H new ATOM 0 HG2 MET A 108 -3.409 -7.688 -2.819 1.00 3.21 H new ATOM 0 HG3 MET A 108 -2.379 -8.887 -2.062 1.00 3.21 H new ATOM 0 HE1 MET A 108 0.776 -9.014 -4.219 1.00 3.14 H new ATOM 0 HE2 MET A 108 -0.299 -9.860 -3.080 1.00 3.14 H new ATOM 0 HE3 MET A 108 -0.592 -9.974 -4.832 1.00 3.14 H new ATOM 1711 N GLN A 109 -5.673 -8.866 -1.256 1.00 11.43 N ATOM 1712 CA GLN A 109 -6.505 -7.804 -0.699 1.00 63.21 C ATOM 1713 C GLN A 109 -5.669 -6.524 -0.661 1.00 14.22 C ATOM 1714 O GLN A 109 -4.593 -6.501 -0.047 1.00 21.24 O ATOM 1715 CB GLN A 109 -6.949 -8.160 0.743 1.00 2.01 C ATOM 1716 CG GLN A 109 -7.736 -9.464 0.869 1.00 24.25 C ATOM 1717 CD GLN A 109 -8.122 -9.748 2.322 1.00 15.11 C ATOM 1718 OE1 GLN A 109 -7.241 -10.388 3.059 1.00 24.55 O flip ATOM 1719 NE2 GLN A 109 -9.190 -9.369 2.788 1.00 53.25 N flip ATOM 0 H GLN A 109 -5.107 -9.344 -0.555 1.00 11.43 H new ATOM 0 HA GLN A 109 -7.396 -7.675 -1.314 1.00 63.21 H new ATOM 0 HB2 GLN A 109 -6.063 -8.224 1.375 1.00 2.01 H new ATOM 0 HB3 GLN A 109 -7.559 -7.345 1.132 1.00 2.01 H new ATOM 0 HG2 GLN A 109 -8.636 -9.408 0.257 1.00 24.25 H new ATOM 0 HG3 GLN A 109 -7.139 -10.290 0.482 1.00 24.25 H new ATOM 0 HE21 GLN A 109 -9.858 -8.874 2.196 1.00 53.25 H new ATOM 0 HE22 GLN A 109 -9.411 -9.548 3.767 1.00 53.25 H new ATOM 1728 N ILE A 110 -6.158 -5.484 -1.328 1.00 5.40 N ATOM 1729 CA ILE A 110 -5.552 -4.150 -1.300 1.00 73.24 C ATOM 1730 C ILE A 110 -6.401 -3.301 -0.346 1.00 52.12 C ATOM 1731 O ILE A 110 -7.567 -3.055 -0.631 1.00 21.32 O ATOM 1732 CB ILE A 110 -5.522 -3.481 -2.741 1.00 25.03 C ATOM 1733 CG1 ILE A 110 -4.612 -4.276 -3.753 1.00 4.44 C ATOM 1734 CG2 ILE A 110 -5.062 -2.002 -2.645 1.00 43.44 C ATOM 1735 CD1 ILE A 110 -5.173 -5.604 -4.258 1.00 23.42 C ATOM 0 H ILE A 110 -6.994 -5.540 -1.910 1.00 5.40 H new ATOM 0 HA ILE A 110 -4.516 -4.220 -0.968 1.00 73.24 H new ATOM 0 HB ILE A 110 -6.540 -3.514 -3.130 1.00 25.03 H new ATOM 0 HG12 ILE A 110 -4.416 -3.637 -4.614 1.00 4.44 H new ATOM 0 HG13 ILE A 110 -3.652 -4.469 -3.274 1.00 4.44 H new ATOM 0 HG21 ILE A 110 -5.047 -1.560 -3.641 1.00 43.44 H new ATOM 0 HG22 ILE A 110 -5.753 -1.446 -2.012 1.00 43.44 H new ATOM 0 HG23 ILE A 110 -4.061 -1.959 -2.215 1.00 43.44 H new ATOM 0 HD11 ILE A 110 -4.462 -6.061 -4.947 1.00 23.42 H new ATOM 0 HD12 ILE A 110 -5.341 -6.273 -3.414 1.00 23.42 H new ATOM 0 HD13 ILE A 110 -6.116 -5.428 -4.775 1.00 23.42 H new ATOM 1747 N SER A 111 -5.826 -2.871 0.781 1.00 4.51 N ATOM 1748 CA SER A 111 -6.518 -2.020 1.751 1.00 35.41 C ATOM 1749 C SER A 111 -5.834 -0.654 1.758 1.00 74.05 C ATOM 1750 O SER A 111 -4.725 -0.515 2.259 1.00 25.25 O ATOM 1751 CB SER A 111 -6.471 -2.685 3.149 1.00 23.52 C ATOM 1752 OG SER A 111 -7.246 -1.969 4.101 1.00 64.41 O ATOM 0 H SER A 111 -4.869 -3.103 1.046 1.00 4.51 H new ATOM 0 HA SER A 111 -7.566 -1.892 1.481 1.00 35.41 H new ATOM 0 HB2 SER A 111 -6.839 -3.709 3.077 1.00 23.52 H new ATOM 0 HB3 SER A 111 -5.437 -2.741 3.490 1.00 23.52 H new ATOM 0 HG SER A 111 -6.650 -1.507 4.727 1.00 64.41 H new ATOM 1758 N VAL A 112 -6.503 0.336 1.175 1.00 70.14 N ATOM 1759 CA VAL A 112 -6.012 1.712 1.089 1.00 14.32 C ATOM 1760 C VAL A 112 -6.700 2.544 2.175 1.00 13.13 C ATOM 1761 O VAL A 112 -7.922 2.523 2.308 1.00 55.45 O ATOM 1762 CB VAL A 112 -6.304 2.342 -0.330 1.00 2.22 C ATOM 1763 CG1 VAL A 112 -5.806 3.800 -0.404 1.00 51.52 C ATOM 1764 CG2 VAL A 112 -5.678 1.482 -1.450 1.00 14.43 C ATOM 0 H VAL A 112 -7.417 0.205 0.741 1.00 70.14 H new ATOM 0 HA VAL A 112 -4.932 1.710 1.234 1.00 14.32 H new ATOM 0 HB VAL A 112 -7.384 2.354 -0.478 1.00 2.22 H new ATOM 0 HG11 VAL A 112 -6.020 4.208 -1.392 1.00 51.52 H new ATOM 0 HG12 VAL A 112 -6.314 4.397 0.353 1.00 51.52 H new ATOM 0 HG13 VAL A 112 -4.731 3.827 -0.226 1.00 51.52 H new ATOM 0 HG21 VAL A 112 -5.891 1.934 -2.418 1.00 14.43 H new ATOM 0 HG22 VAL A 112 -4.599 1.426 -1.306 1.00 14.43 H new ATOM 0 HG23 VAL A 112 -6.101 0.478 -1.417 1.00 14.43 H new ATOM 1774 N LYS A 113 -5.898 3.232 2.965 1.00 11.54 N ATOM 1775 CA LYS A 113 -6.339 4.126 4.035 1.00 75.41 C ATOM 1776 C LYS A 113 -5.518 5.413 3.921 1.00 0.41 C ATOM 1777 O LYS A 113 -4.419 5.386 3.371 1.00 73.22 O ATOM 1778 CB LYS A 113 -6.102 3.406 5.386 1.00 60.11 C ATOM 1779 CG LYS A 113 -6.509 4.183 6.642 1.00 13.24 C ATOM 1780 CD LYS A 113 -6.377 3.326 7.921 1.00 41.51 C ATOM 1781 CE LYS A 113 -7.334 2.122 7.944 1.00 43.52 C ATOM 1782 NZ LYS A 113 -7.237 1.347 9.208 1.00 54.21 N ATOM 0 H LYS A 113 -4.882 3.186 2.881 1.00 11.54 H new ATOM 0 HA LYS A 113 -7.397 4.377 3.965 1.00 75.41 H new ATOM 0 HB2 LYS A 113 -6.649 2.463 5.373 1.00 60.11 H new ATOM 0 HB3 LYS A 113 -5.043 3.159 5.463 1.00 60.11 H new ATOM 0 HG2 LYS A 113 -5.886 5.073 6.736 1.00 13.24 H new ATOM 0 HG3 LYS A 113 -7.539 4.525 6.539 1.00 13.24 H new ATOM 0 HD2 LYS A 113 -5.351 2.968 8.007 1.00 41.51 H new ATOM 0 HD3 LYS A 113 -6.570 3.952 8.792 1.00 41.51 H new ATOM 0 HE2 LYS A 113 -8.358 2.472 7.813 1.00 43.52 H new ATOM 0 HE3 LYS A 113 -7.111 1.468 7.101 1.00 43.52 H new ATOM 0 HZ1 LYS A 113 -8.142 0.869 9.393 1.00 54.21 H new ATOM 0 HZ2 LYS A 113 -6.482 0.637 9.123 1.00 54.21 H new ATOM 0 HZ3 LYS A 113 -7.019 1.992 9.995 1.00 54.21 H new ATOM 1796 N GLN A 114 -6.054 6.542 4.396 1.00 55.41 N ATOM 1797 CA GLN A 114 -5.343 7.832 4.326 1.00 42.42 C ATOM 1798 C GLN A 114 -5.758 8.762 5.470 1.00 31.44 C ATOM 1799 O GLN A 114 -6.856 8.624 6.030 1.00 21.42 O ATOM 1800 CB GLN A 114 -5.581 8.490 2.940 1.00 31.24 C ATOM 1801 CG GLN A 114 -7.063 8.649 2.546 1.00 24.40 C ATOM 1802 CD GLN A 114 -7.255 9.196 1.129 1.00 32.21 C ATOM 1803 OE1 GLN A 114 -8.366 8.855 0.496 1.00 22.12 O flip ATOM 1804 NE2 GLN A 114 -6.423 9.940 0.623 1.00 74.31 N flip ATOM 0 H GLN A 114 -6.974 6.594 4.833 1.00 55.41 H new ATOM 0 HA GLN A 114 -4.275 7.648 4.442 1.00 42.42 H new ATOM 0 HB2 GLN A 114 -5.111 9.473 2.935 1.00 31.24 H new ATOM 0 HB3 GLN A 114 -5.079 7.893 2.179 1.00 31.24 H new ATOM 0 HG2 GLN A 114 -7.559 7.682 2.625 1.00 24.40 H new ATOM 0 HG3 GLN A 114 -7.551 9.317 3.256 1.00 24.40 H new ATOM 0 HE21 GLN A 114 -5.577 10.184 1.138 1.00 74.31 H new ATOM 0 HE22 GLN A 114 -6.577 10.316 -0.313 1.00 74.31 H new ATOM 1813 N ASN A 115 -4.838 9.694 5.802 1.00 55.13 N ATOM 1814 CA ASN A 115 -4.992 10.709 6.867 1.00 13.22 C ATOM 1815 C ASN A 115 -6.320 11.486 6.757 1.00 22.40 C ATOM 1816 O ASN A 115 -7.010 11.703 7.755 1.00 42.35 O ATOM 1817 CB ASN A 115 -3.779 11.686 6.841 1.00 5.33 C ATOM 1818 CG ASN A 115 -3.651 12.544 5.561 1.00 32.34 C ATOM 1819 OD1 ASN A 115 -3.954 11.995 4.390 1.00 10.40 O flip ATOM 1820 ND2 ASN A 115 -3.225 13.692 5.612 1.00 14.53 N flip ATOM 0 H ASN A 115 -3.941 9.763 5.322 1.00 55.13 H new ATOM 0 HA ASN A 115 -5.018 10.184 7.822 1.00 13.22 H new ATOM 0 HB2 ASN A 115 -3.852 12.353 7.700 1.00 5.33 H new ATOM 0 HB3 ASN A 115 -2.864 11.107 6.964 1.00 5.33 H new ATOM 0 HD21 ASN A 115 -2.993 14.110 6.513 1.00 14.53 H new ATOM 0 HD22 ASN A 115 -3.102 14.229 4.754 1.00 14.53 H new ATOM 1827 N GLU A 116 -6.659 11.885 5.527 1.00 71.03 N ATOM 1828 CA GLU A 116 -7.913 12.562 5.189 1.00 5.34 C ATOM 1829 C GLU A 116 -8.380 12.028 3.832 1.00 74.11 C ATOM 1830 O GLU A 116 -7.628 12.105 2.846 1.00 40.02 O ATOM 1831 CB GLU A 116 -7.729 14.106 5.123 1.00 21.04 C ATOM 1832 CG GLU A 116 -7.497 14.795 6.473 1.00 22.53 C ATOM 1833 CD GLU A 116 -7.449 16.324 6.360 1.00 34.53 C ATOM 1834 OE1 GLU A 116 -8.514 16.941 6.127 1.00 34.11 O ATOM 1835 OE2 GLU A 116 -6.363 16.921 6.498 1.00 1.41 O ATOM 0 H GLU A 116 -6.053 11.742 4.719 1.00 71.03 H new ATOM 0 HA GLU A 116 -8.655 12.361 5.962 1.00 5.34 H new ATOM 0 HB2 GLU A 116 -6.884 14.327 4.470 1.00 21.04 H new ATOM 0 HB3 GLU A 116 -8.614 14.542 4.658 1.00 21.04 H new ATOM 0 HG2 GLU A 116 -8.292 14.511 7.162 1.00 22.53 H new ATOM 0 HG3 GLU A 116 -6.561 14.437 6.902 1.00 22.53 H new ATOM 1842 N ALA A 117 -9.597 11.466 3.786 1.00 75.14 N ATOM 1843 CA ALA A 117 -10.144 10.896 2.559 1.00 74.01 C ATOM 1844 C ALA A 117 -10.679 12.013 1.647 1.00 1.23 C ATOM 1845 O ALA A 117 -11.671 12.673 1.974 1.00 74.14 O ATOM 1846 CB ALA A 117 -11.241 9.878 2.925 1.00 15.23 C ATOM 0 H ALA A 117 -10.219 11.397 4.592 1.00 75.14 H new ATOM 0 HA ALA A 117 -9.363 10.376 2.005 1.00 74.01 H new ATOM 0 HB1 ALA A 117 -11.656 9.447 2.014 1.00 15.23 H new ATOM 0 HB2 ALA A 117 -10.812 9.086 3.539 1.00 15.23 H new ATOM 0 HB3 ALA A 117 -12.032 10.380 3.482 1.00 15.23 H new ATOM 1852 N ARG A 118 -9.990 12.224 0.517 1.00 30.35 N ATOM 1853 CA ARG A 118 -10.452 13.090 -0.578 1.00 12.41 C ATOM 1854 C ARG A 118 -10.740 12.184 -1.779 1.00 4.42 C ATOM 1855 O ARG A 118 -10.009 11.206 -1.990 1.00 71.41 O ATOM 1856 CB ARG A 118 -9.361 14.146 -0.892 1.00 60.34 C ATOM 1857 CG ARG A 118 -9.721 15.199 -1.965 1.00 2.34 C ATOM 1858 CD ARG A 118 -8.557 16.182 -2.219 1.00 71.42 C ATOM 1859 NE ARG A 118 -8.050 16.766 -0.960 1.00 74.11 N ATOM 1860 CZ ARG A 118 -6.762 17.048 -0.684 1.00 15.11 C ATOM 1861 NH1 ARG A 118 -5.791 16.821 -1.570 1.00 22.23 N ATOM 1862 NH2 ARG A 118 -6.454 17.540 0.506 1.00 41.02 N ATOM 0 H ARG A 118 -9.084 11.792 0.335 1.00 30.35 H new ATOM 0 HA ARG A 118 -11.358 13.635 -0.314 1.00 12.41 H new ATOM 0 HB2 ARG A 118 -9.114 14.669 0.032 1.00 60.34 H new ATOM 0 HB3 ARG A 118 -8.460 13.623 -1.213 1.00 60.34 H new ATOM 0 HG2 ARG A 118 -9.980 14.695 -2.896 1.00 2.34 H new ATOM 0 HG3 ARG A 118 -10.603 15.755 -1.647 1.00 2.34 H new ATOM 0 HD2 ARG A 118 -7.747 15.662 -2.731 1.00 71.42 H new ATOM 0 HD3 ARG A 118 -8.893 16.980 -2.881 1.00 71.42 H new ATOM 0 HE ARG A 118 -8.737 16.974 -0.235 1.00 74.11 H new ATOM 0 HH11 ARG A 118 -6.016 16.425 -2.483 1.00 22.23 H new ATOM 0 HH12 ARG A 118 -4.824 17.044 -1.335 1.00 22.23 H new ATOM 0 HH21 ARG A 118 -7.187 17.700 1.197 1.00 41.02 H new ATOM 0 HH22 ARG A 118 -5.484 17.759 0.732 1.00 41.02 H new ATOM 1876 N THR A 119 -11.799 12.498 -2.546 1.00 10.15 N ATOM 1877 CA THR A 119 -12.179 11.751 -3.759 1.00 14.34 C ATOM 1878 C THR A 119 -11.001 11.689 -4.751 1.00 74.12 C ATOM 1879 O THR A 119 -10.633 10.613 -5.230 1.00 14.42 O ATOM 1880 CB THR A 119 -13.430 12.427 -4.428 1.00 74.20 C ATOM 1881 OG1 THR A 119 -14.489 12.562 -3.464 1.00 4.04 O ATOM 1882 CG2 THR A 119 -13.953 11.649 -5.645 1.00 34.11 C ATOM 0 H THR A 119 -12.419 13.282 -2.341 1.00 10.15 H new ATOM 0 HA THR A 119 -12.436 10.730 -3.478 1.00 14.34 H new ATOM 0 HB THR A 119 -13.104 13.406 -4.781 1.00 74.20 H new ATOM 0 HG1 THR A 119 -15.265 12.986 -3.887 1.00 4.04 H new ATOM 0 HG21 THR A 119 -14.817 12.165 -6.063 1.00 34.11 H new ATOM 0 HG22 THR A 119 -13.169 11.584 -6.399 1.00 34.11 H new ATOM 0 HG23 THR A 119 -14.245 10.645 -5.337 1.00 34.11 H new ATOM 1890 N GLU A 120 -10.396 12.862 -4.989 1.00 54.31 N ATOM 1891 CA GLU A 120 -9.260 13.040 -5.898 1.00 30.24 C ATOM 1892 C GLU A 120 -8.050 12.161 -5.490 1.00 3.52 C ATOM 1893 O GLU A 120 -7.537 11.372 -6.303 1.00 70.01 O ATOM 1894 CB GLU A 120 -8.874 14.543 -5.888 1.00 30.14 C ATOM 1895 CG GLU A 120 -7.763 14.939 -6.865 1.00 74.34 C ATOM 1896 CD GLU A 120 -8.110 14.659 -8.338 1.00 4.32 C ATOM 1897 OE1 GLU A 120 -8.879 15.442 -8.942 1.00 11.55 O ATOM 1898 OE2 GLU A 120 -7.618 13.651 -8.892 1.00 43.20 O ATOM 0 H GLU A 120 -10.691 13.731 -4.544 1.00 54.31 H new ATOM 0 HA GLU A 120 -9.547 12.724 -6.901 1.00 30.24 H new ATOM 0 HB2 GLU A 120 -9.763 15.131 -6.116 1.00 30.14 H new ATOM 0 HB3 GLU A 120 -8.562 14.815 -4.879 1.00 30.14 H new ATOM 0 HG2 GLU A 120 -7.548 16.001 -6.747 1.00 74.34 H new ATOM 0 HG3 GLU A 120 -6.853 14.398 -6.606 1.00 74.34 H new ATOM 1905 N THR A 121 -7.640 12.282 -4.213 1.00 64.42 N ATOM 1906 CA THR A 121 -6.449 11.606 -3.684 1.00 45.24 C ATOM 1907 C THR A 121 -6.598 10.078 -3.684 1.00 50.12 C ATOM 1908 O THR A 121 -5.665 9.365 -4.073 1.00 64.52 O ATOM 1909 CB THR A 121 -6.129 12.101 -2.242 1.00 72.23 C ATOM 1910 OG1 THR A 121 -7.265 11.878 -1.385 1.00 71.14 O ATOM 1911 CG2 THR A 121 -5.768 13.590 -2.226 1.00 55.22 C ATOM 0 H THR A 121 -8.128 12.852 -3.522 1.00 64.42 H new ATOM 0 HA THR A 121 -5.623 11.861 -4.348 1.00 45.24 H new ATOM 0 HB THR A 121 -5.270 11.536 -1.879 1.00 72.23 H new ATOM 0 HG1 THR A 121 -8.073 11.779 -1.931 1.00 71.14 H new ATOM 0 HG21 THR A 121 -5.551 13.901 -1.204 1.00 55.22 H new ATOM 0 HG22 THR A 121 -4.891 13.758 -2.851 1.00 55.22 H new ATOM 0 HG23 THR A 121 -6.605 14.172 -2.612 1.00 55.22 H new ATOM 1919 N LEU A 122 -7.780 9.590 -3.251 1.00 12.14 N ATOM 1920 CA LEU A 122 -8.066 8.157 -3.186 1.00 44.21 C ATOM 1921 C LEU A 122 -8.013 7.519 -4.577 1.00 23.53 C ATOM 1922 O LEU A 122 -7.234 6.590 -4.788 1.00 64.53 O ATOM 1923 CB LEU A 122 -9.444 7.871 -2.537 1.00 74.52 C ATOM 1924 CG LEU A 122 -9.804 6.357 -2.396 1.00 10.20 C ATOM 1925 CD1 LEU A 122 -8.727 5.599 -1.598 1.00 5.41 C ATOM 1926 CD2 LEU A 122 -11.201 6.155 -1.780 1.00 0.15 C ATOM 0 H LEU A 122 -8.552 10.180 -2.941 1.00 12.14 H new ATOM 0 HA LEU A 122 -7.293 7.713 -2.559 1.00 44.21 H new ATOM 0 HB2 LEU A 122 -9.465 8.328 -1.548 1.00 74.52 H new ATOM 0 HB3 LEU A 122 -10.217 8.359 -3.130 1.00 74.52 H new ATOM 0 HG LEU A 122 -9.832 5.937 -3.402 1.00 10.20 H new ATOM 0 HD11 LEU A 122 -9.006 4.548 -1.517 1.00 5.41 H new ATOM 0 HD12 LEU A 122 -7.769 5.681 -2.111 1.00 5.41 H new ATOM 0 HD13 LEU A 122 -8.643 6.030 -0.600 1.00 5.41 H new ATOM 0 HD21 LEU A 122 -11.412 5.089 -1.699 1.00 0.15 H new ATOM 0 HD22 LEU A 122 -11.230 6.607 -0.788 1.00 0.15 H new ATOM 0 HD23 LEU A 122 -11.951 6.626 -2.416 1.00 0.15 H new ATOM 1938 N ASN A 123 -8.805 8.066 -5.530 1.00 20.25 N ATOM 1939 CA ASN A 123 -8.961 7.477 -6.882 1.00 31.43 C ATOM 1940 C ASN A 123 -7.610 7.405 -7.602 1.00 50.44 C ATOM 1941 O ASN A 123 -7.276 6.386 -8.219 1.00 52.52 O ATOM 1942 CB ASN A 123 -9.960 8.297 -7.749 1.00 72.20 C ATOM 1943 CG ASN A 123 -11.387 8.313 -7.202 1.00 33.03 C ATOM 1944 OD1 ASN A 123 -11.825 7.379 -6.534 1.00 33.44 O ATOM 1945 ND2 ASN A 123 -12.131 9.370 -7.499 1.00 63.20 N ATOM 0 H ASN A 123 -9.348 8.918 -5.386 1.00 20.25 H new ATOM 0 HA ASN A 123 -9.357 6.470 -6.750 1.00 31.43 H new ATOM 0 HB2 ASN A 123 -9.600 9.323 -7.828 1.00 72.20 H new ATOM 0 HB3 ASN A 123 -9.973 7.885 -8.758 1.00 72.20 H new ATOM 0 HD21 ASN A 123 -13.095 9.423 -7.171 1.00 63.20 H new ATOM 0 HD22 ASN A 123 -11.739 10.130 -8.056 1.00 63.20 H new ATOM 1952 N SER A 124 -6.831 8.494 -7.476 1.00 32.11 N ATOM 1953 CA SER A 124 -5.512 8.594 -8.107 1.00 42.40 C ATOM 1954 C SER A 124 -4.524 7.585 -7.483 1.00 34.14 C ATOM 1955 O SER A 124 -3.760 6.959 -8.209 1.00 15.41 O ATOM 1956 CB SER A 124 -4.968 10.034 -8.007 1.00 32.02 C ATOM 1957 OG SER A 124 -3.771 10.197 -8.773 1.00 23.13 O ATOM 0 H SER A 124 -7.098 9.319 -6.939 1.00 32.11 H new ATOM 0 HA SER A 124 -5.621 8.346 -9.163 1.00 42.40 H new ATOM 0 HB2 SER A 124 -5.725 10.735 -8.359 1.00 32.02 H new ATOM 0 HB3 SER A 124 -4.769 10.277 -6.963 1.00 32.02 H new ATOM 0 HG SER A 124 -3.628 11.149 -8.957 1.00 23.13 H new ATOM 1963 N PHE A 125 -4.573 7.414 -6.138 1.00 3.11 N ATOM 1964 CA PHE A 125 -3.668 6.485 -5.419 1.00 30.21 C ATOM 1965 C PHE A 125 -3.961 5.021 -5.791 1.00 50.43 C ATOM 1966 O PHE A 125 -3.027 4.231 -5.979 1.00 13.22 O ATOM 1967 CB PHE A 125 -3.756 6.669 -3.882 1.00 4.42 C ATOM 1968 CG PHE A 125 -2.749 5.805 -3.114 1.00 64.12 C ATOM 1969 CD1 PHE A 125 -1.413 6.193 -2.999 1.00 63.01 C ATOM 1970 CD2 PHE A 125 -3.126 4.589 -2.537 1.00 13.12 C ATOM 1971 CE1 PHE A 125 -0.494 5.398 -2.334 1.00 5.55 C ATOM 1972 CE2 PHE A 125 -2.205 3.793 -1.881 1.00 42.12 C ATOM 1973 CZ PHE A 125 -0.890 4.201 -1.776 1.00 33.25 C ATOM 0 H PHE A 125 -5.229 7.907 -5.531 1.00 3.11 H new ATOM 0 HA PHE A 125 -2.653 6.729 -5.732 1.00 30.21 H new ATOM 0 HB2 PHE A 125 -3.587 7.718 -3.637 1.00 4.42 H new ATOM 0 HB3 PHE A 125 -4.765 6.423 -3.550 1.00 4.42 H new ATOM 0 HD1 PHE A 125 -1.091 7.127 -3.435 1.00 63.01 H new ATOM 0 HD2 PHE A 125 -4.154 4.266 -2.605 1.00 13.12 H new ATOM 0 HE1 PHE A 125 0.535 5.716 -2.252 1.00 5.55 H new ATOM 0 HE2 PHE A 125 -2.514 2.852 -1.451 1.00 42.12 H new ATOM 0 HZ PHE A 125 -0.172 3.583 -1.257 1.00 33.25 H new ATOM 1983 N ILE A 126 -5.271 4.680 -5.878 1.00 75.12 N ATOM 1984 CA ILE A 126 -5.739 3.354 -6.325 1.00 54.31 C ATOM 1985 C ILE A 126 -5.159 3.075 -7.717 1.00 42.31 C ATOM 1986 O ILE A 126 -4.568 2.034 -7.938 1.00 1.42 O ATOM 1987 CB ILE A 126 -7.315 3.260 -6.406 1.00 72.52 C ATOM 1988 CG1 ILE A 126 -7.990 3.559 -5.031 1.00 14.14 C ATOM 1989 CG2 ILE A 126 -7.763 1.871 -6.933 1.00 73.40 C ATOM 1990 CD1 ILE A 126 -9.499 3.763 -5.113 1.00 22.43 C ATOM 0 H ILE A 126 -6.029 5.320 -5.639 1.00 75.12 H new ATOM 0 HA ILE A 126 -5.402 2.620 -5.593 1.00 54.31 H new ATOM 0 HB ILE A 126 -7.642 4.025 -7.110 1.00 72.52 H new ATOM 0 HG12 ILE A 126 -7.782 2.735 -4.349 1.00 14.14 H new ATOM 0 HG13 ILE A 126 -7.536 4.452 -4.601 1.00 14.14 H new ATOM 0 HG21 ILE A 126 -8.851 1.833 -6.979 1.00 73.40 H new ATOM 0 HG22 ILE A 126 -7.352 1.710 -7.930 1.00 73.40 H new ATOM 0 HG23 ILE A 126 -7.401 1.093 -6.261 1.00 73.40 H new ATOM 0 HD11 ILE A 126 -9.893 3.966 -4.117 1.00 22.43 H new ATOM 0 HD12 ILE A 126 -9.717 4.606 -5.768 1.00 22.43 H new ATOM 0 HD13 ILE A 126 -9.967 2.863 -5.512 1.00 22.43 H new ATOM 2002 N SER A 127 -5.284 4.079 -8.608 1.00 40.33 N ATOM 2003 CA SER A 127 -4.850 3.985 -10.003 1.00 71.33 C ATOM 2004 C SER A 127 -3.330 3.738 -10.116 1.00 23.54 C ATOM 2005 O SER A 127 -2.899 2.918 -10.939 1.00 4.53 O ATOM 2006 CB SER A 127 -5.250 5.273 -10.752 1.00 12.34 C ATOM 2007 OG SER A 127 -5.003 5.169 -12.142 1.00 24.32 O ATOM 0 H SER A 127 -5.693 4.983 -8.371 1.00 40.33 H new ATOM 0 HA SER A 127 -5.347 3.129 -10.460 1.00 71.33 H new ATOM 0 HB2 SER A 127 -6.307 5.478 -10.585 1.00 12.34 H new ATOM 0 HB3 SER A 127 -4.694 6.118 -10.346 1.00 12.34 H new ATOM 0 HG SER A 127 -5.269 6.002 -12.585 1.00 24.32 H new ATOM 2013 N VAL A 128 -2.534 4.435 -9.271 1.00 34.44 N ATOM 2014 CA VAL A 128 -1.078 4.245 -9.205 1.00 45.15 C ATOM 2015 C VAL A 128 -0.762 2.800 -8.794 1.00 21.23 C ATOM 2016 O VAL A 128 -0.022 2.098 -9.473 1.00 22.23 O ATOM 2017 CB VAL A 128 -0.393 5.240 -8.186 1.00 60.12 C ATOM 2018 CG1 VAL A 128 1.117 4.952 -8.043 1.00 64.14 C ATOM 2019 CG2 VAL A 128 -0.625 6.713 -8.584 1.00 73.25 C ATOM 0 H VAL A 128 -2.887 5.139 -8.623 1.00 34.44 H new ATOM 0 HA VAL A 128 -0.676 4.453 -10.197 1.00 45.15 H new ATOM 0 HB VAL A 128 -0.865 5.075 -7.217 1.00 60.12 H new ATOM 0 HG11 VAL A 128 1.556 5.655 -7.335 1.00 64.14 H new ATOM 0 HG12 VAL A 128 1.261 3.934 -7.680 1.00 64.14 H new ATOM 0 HG13 VAL A 128 1.602 5.063 -9.013 1.00 64.14 H new ATOM 0 HG21 VAL A 128 -0.139 7.367 -7.860 1.00 73.25 H new ATOM 0 HG22 VAL A 128 -0.205 6.893 -9.574 1.00 73.25 H new ATOM 0 HG23 VAL A 128 -1.695 6.921 -8.600 1.00 73.25 H new ATOM 2029 N LEU A 129 -1.379 2.377 -7.679 1.00 62.33 N ATOM 2030 CA LEU A 129 -1.234 1.028 -7.107 1.00 24.21 C ATOM 2031 C LEU A 129 -1.668 -0.069 -8.123 1.00 74.41 C ATOM 2032 O LEU A 129 -1.061 -1.145 -8.181 1.00 23.33 O ATOM 2033 CB LEU A 129 -2.040 0.988 -5.772 1.00 33.41 C ATOM 2034 CG LEU A 129 -1.727 -0.169 -4.759 1.00 74.30 C ATOM 2035 CD1 LEU A 129 -2.180 0.226 -3.341 1.00 53.55 C ATOM 2036 CD2 LEU A 129 -2.390 -1.496 -5.172 1.00 63.33 C ATOM 0 H LEU A 129 -2.005 2.975 -7.139 1.00 62.33 H new ATOM 0 HA LEU A 129 -0.188 0.810 -6.890 1.00 24.21 H new ATOM 0 HB2 LEU A 129 -1.881 1.935 -5.257 1.00 33.41 H new ATOM 0 HB3 LEU A 129 -3.099 0.935 -6.023 1.00 33.41 H new ATOM 0 HG LEU A 129 -0.648 -0.323 -4.767 1.00 74.30 H new ATOM 0 HD11 LEU A 129 -1.957 -0.586 -2.648 1.00 53.55 H new ATOM 0 HD12 LEU A 129 -1.651 1.126 -3.028 1.00 53.55 H new ATOM 0 HD13 LEU A 129 -3.253 0.417 -3.342 1.00 53.55 H new ATOM 0 HD21 LEU A 129 -2.146 -2.268 -4.442 1.00 63.33 H new ATOM 0 HD22 LEU A 129 -3.471 -1.365 -5.214 1.00 63.33 H new ATOM 0 HD23 LEU A 129 -2.023 -1.796 -6.153 1.00 63.33 H new ATOM 2048 N GLU A 130 -2.691 0.248 -8.946 1.00 30.33 N ATOM 2049 CA GLU A 130 -3.168 -0.622 -10.040 1.00 1.45 C ATOM 2050 C GLU A 130 -2.079 -0.782 -11.115 1.00 13.12 C ATOM 2051 O GLU A 130 -1.925 -1.854 -11.690 1.00 32.30 O ATOM 2052 CB GLU A 130 -4.455 -0.020 -10.672 1.00 3.04 C ATOM 2053 CG GLU A 130 -5.737 -0.130 -9.811 1.00 43.11 C ATOM 2054 CD GLU A 130 -6.537 -1.422 -10.044 1.00 61.32 C ATOM 2055 OE1 GLU A 130 -7.306 -1.467 -11.034 1.00 11.13 O ATOM 2056 OE2 GLU A 130 -6.414 -2.377 -9.246 1.00 55.44 O ATOM 0 H GLU A 130 -3.212 1.121 -8.868 1.00 30.33 H new ATOM 0 HA GLU A 130 -3.397 -1.605 -9.629 1.00 1.45 H new ATOM 0 HB2 GLU A 130 -4.274 1.033 -10.889 1.00 3.04 H new ATOM 0 HB3 GLU A 130 -4.636 -0.515 -11.626 1.00 3.04 H new ATOM 0 HG2 GLU A 130 -5.462 -0.070 -8.758 1.00 43.11 H new ATOM 0 HG3 GLU A 130 -6.379 0.726 -10.022 1.00 43.11 H new ATOM 2063 N THR A 131 -1.345 0.309 -11.378 1.00 40.00 N ATOM 2064 CA THR A 131 -0.223 0.324 -12.327 1.00 22.14 C ATOM 2065 C THR A 131 0.990 -0.478 -11.783 1.00 42.21 C ATOM 2066 O THR A 131 1.700 -1.128 -12.557 1.00 70.33 O ATOM 2067 CB THR A 131 0.177 1.811 -12.651 1.00 10.02 C ATOM 2068 OG1 THR A 131 -0.973 2.520 -13.153 1.00 45.42 O ATOM 2069 CG2 THR A 131 1.310 1.920 -13.683 1.00 10.11 C ATOM 0 H THR A 131 -1.515 1.212 -10.935 1.00 40.00 H new ATOM 0 HA THR A 131 -0.540 -0.164 -13.249 1.00 22.14 H new ATOM 0 HB THR A 131 0.537 2.248 -11.720 1.00 10.02 H new ATOM 0 HG1 THR A 131 -1.617 2.655 -12.427 1.00 45.42 H new ATOM 0 HG21 THR A 131 1.539 2.970 -13.863 1.00 10.11 H new ATOM 0 HG22 THR A 131 2.198 1.415 -13.303 1.00 10.11 H new ATOM 0 HG23 THR A 131 0.998 1.452 -14.617 1.00 10.11 H new ATOM 2077 N VAL A 132 1.186 -0.455 -10.448 1.00 63.43 N ATOM 2078 CA VAL A 132 2.313 -1.152 -9.782 1.00 11.32 C ATOM 2079 C VAL A 132 2.118 -2.673 -9.838 1.00 64.03 C ATOM 2080 O VAL A 132 3.018 -3.404 -10.246 1.00 23.55 O ATOM 2081 CB VAL A 132 2.499 -0.707 -8.282 1.00 0.34 C ATOM 2082 CG1 VAL A 132 3.766 -1.349 -7.662 1.00 13.24 C ATOM 2083 CG2 VAL A 132 2.550 0.824 -8.172 1.00 13.13 C ATOM 0 H VAL A 132 0.573 0.043 -9.802 1.00 63.43 H new ATOM 0 HA VAL A 132 3.214 -0.872 -10.328 1.00 11.32 H new ATOM 0 HB VAL A 132 1.637 -1.060 -7.717 1.00 0.34 H new ATOM 0 HG11 VAL A 132 3.869 -1.024 -6.627 1.00 13.24 H new ATOM 0 HG12 VAL A 132 3.677 -2.435 -7.694 1.00 13.24 H new ATOM 0 HG13 VAL A 132 4.645 -1.040 -8.228 1.00 13.24 H new ATOM 0 HG21 VAL A 132 2.679 1.110 -7.128 1.00 13.13 H new ATOM 0 HG22 VAL A 132 3.387 1.203 -8.758 1.00 13.13 H new ATOM 0 HG23 VAL A 132 1.620 1.247 -8.552 1.00 13.13 H new ATOM 2093 N ILE A 133 0.923 -3.133 -9.429 1.00 42.32 N ATOM 2094 CA ILE A 133 0.547 -4.559 -9.497 1.00 72.50 C ATOM 2095 C ILE A 133 0.384 -4.974 -10.973 1.00 23.31 C ATOM 2096 O ILE A 133 0.825 -6.052 -11.376 1.00 71.22 O ATOM 2097 CB ILE A 133 -0.783 -4.846 -8.678 1.00 64.30 C ATOM 2098 CG1 ILE A 133 -0.547 -4.614 -7.146 1.00 71.15 C ATOM 2099 CG2 ILE A 133 -1.345 -6.266 -8.947 1.00 14.25 C ATOM 2100 CD1 ILE A 133 -1.740 -4.944 -6.260 1.00 50.32 C ATOM 0 H ILE A 133 0.194 -2.533 -9.044 1.00 42.32 H new ATOM 0 HA ILE A 133 1.339 -5.153 -9.042 1.00 72.50 H new ATOM 0 HB ILE A 133 -1.537 -4.139 -9.025 1.00 64.30 H new ATOM 0 HG12 ILE A 133 0.302 -5.218 -6.828 1.00 71.15 H new ATOM 0 HG13 ILE A 133 -0.273 -3.571 -6.989 1.00 71.15 H new ATOM 0 HG21 ILE A 133 -2.254 -6.414 -8.364 1.00 14.25 H new ATOM 0 HG22 ILE A 133 -1.573 -6.372 -10.008 1.00 14.25 H new ATOM 0 HG23 ILE A 133 -0.604 -7.011 -8.658 1.00 14.25 H new ATOM 0 HD11 ILE A 133 -1.483 -4.753 -5.218 1.00 50.32 H new ATOM 0 HD12 ILE A 133 -2.588 -4.321 -6.545 1.00 50.32 H new ATOM 0 HD13 ILE A 133 -2.004 -5.995 -6.382 1.00 50.32 H new ATOM 2112 N GLY A 134 -0.198 -4.062 -11.774 1.00 30.31 N ATOM 2113 CA GLY A 134 -0.485 -4.305 -13.186 1.00 61.54 C ATOM 2114 C GLY A 134 0.748 -4.600 -14.029 1.00 70.33 C ATOM 2115 O GLY A 134 0.728 -5.530 -14.843 1.00 64.45 O ATOM 0 H GLY A 134 -0.480 -3.136 -11.452 1.00 30.31 H new ATOM 0 HA2 GLY A 134 -1.176 -5.144 -13.266 1.00 61.54 H new ATOM 0 HA3 GLY A 134 -0.993 -3.433 -13.598 1.00 61.54 H new ATOM 2119 N THR A 135 1.845 -3.841 -13.798 1.00 14.50 N ATOM 2120 CA THR A 135 3.111 -4.031 -14.543 1.00 23.44 C ATOM 2121 C THR A 135 3.763 -5.384 -14.196 1.00 13.42 C ATOM 2122 O THR A 135 4.567 -5.908 -14.974 1.00 75.53 O ATOM 2123 CB THR A 135 4.123 -2.847 -14.321 1.00 65.42 C ATOM 2124 OG1 THR A 135 5.242 -2.958 -15.215 1.00 61.40 O ATOM 2125 CG2 THR A 135 4.629 -2.757 -12.874 1.00 2.13 C ATOM 0 H THR A 135 1.879 -3.094 -13.104 1.00 14.50 H new ATOM 0 HA THR A 135 2.853 -4.035 -15.602 1.00 23.44 H new ATOM 0 HB THR A 135 3.571 -1.932 -14.533 1.00 65.42 H new ATOM 0 HG1 THR A 135 5.858 -2.212 -15.062 1.00 61.40 H new ATOM 0 HG21 THR A 135 5.323 -1.922 -12.783 1.00 2.13 H new ATOM 0 HG22 THR A 135 3.785 -2.602 -12.202 1.00 2.13 H new ATOM 0 HG23 THR A 135 5.139 -3.683 -12.609 1.00 2.13 H new ATOM 2133 N ILE A 136 3.368 -5.966 -13.046 1.00 52.41 N ATOM 2134 CA ILE A 136 3.835 -7.299 -12.629 1.00 11.52 C ATOM 2135 C ILE A 136 2.928 -8.375 -13.264 1.00 35.54 C ATOM 2136 O ILE A 136 3.415 -9.422 -13.688 1.00 34.10 O ATOM 2137 CB ILE A 136 3.831 -7.508 -11.060 1.00 63.11 C ATOM 2138 CG1 ILE A 136 4.314 -6.245 -10.287 1.00 20.13 C ATOM 2139 CG2 ILE A 136 4.693 -8.729 -10.671 1.00 21.41 C ATOM 2140 CD1 ILE A 136 5.757 -5.830 -10.503 1.00 51.33 C ATOM 0 H ILE A 136 2.723 -5.529 -12.388 1.00 52.41 H new ATOM 0 HA ILE A 136 4.868 -7.386 -12.967 1.00 11.52 H new ATOM 0 HB ILE A 136 2.796 -7.689 -10.771 1.00 63.11 H new ATOM 0 HG12 ILE A 136 3.673 -5.409 -10.566 1.00 20.13 H new ATOM 0 HG13 ILE A 136 4.165 -6.419 -9.221 1.00 20.13 H new ATOM 0 HG21 ILE A 136 4.677 -8.855 -9.588 1.00 21.41 H new ATOM 0 HG22 ILE A 136 4.292 -9.624 -11.147 1.00 21.41 H new ATOM 0 HG23 ILE A 136 5.719 -8.571 -11.003 1.00 21.41 H new ATOM 0 HD11 ILE A 136 5.972 -4.940 -9.912 1.00 51.33 H new ATOM 0 HD12 ILE A 136 6.419 -6.639 -10.194 1.00 51.33 H new ATOM 0 HD13 ILE A 136 5.919 -5.613 -11.559 1.00 51.33 H new ATOM 2152 N GLU A 137 1.609 -8.067 -13.344 1.00 42.34 N ATOM 2153 CA GLU A 137 0.550 -9.023 -13.730 1.00 51.23 C ATOM 2154 C GLU A 137 0.715 -9.545 -15.167 1.00 40.52 C ATOM 2155 O GLU A 137 0.119 -9.004 -16.108 1.00 52.52 O ATOM 2156 CB GLU A 137 -0.855 -8.371 -13.526 1.00 72.14 C ATOM 2157 CG GLU A 137 -1.359 -8.376 -12.071 1.00 42.11 C ATOM 2158 CD GLU A 137 -1.626 -9.794 -11.538 1.00 11.42 C ATOM 2159 OE1 GLU A 137 -0.693 -10.423 -11.006 1.00 25.11 O ATOM 2160 OE2 GLU A 137 -2.772 -10.296 -11.670 1.00 74.35 O ATOM 0 H GLU A 137 1.250 -7.134 -13.139 1.00 42.34 H new ATOM 0 HA GLU A 137 0.641 -9.892 -13.079 1.00 51.23 H new ATOM 0 HB2 GLU A 137 -0.818 -7.341 -13.880 1.00 72.14 H new ATOM 0 HB3 GLU A 137 -1.579 -8.896 -14.149 1.00 72.14 H new ATOM 0 HG2 GLU A 137 -0.622 -7.886 -11.434 1.00 42.11 H new ATOM 0 HG3 GLU A 137 -2.276 -7.790 -12.007 1.00 42.11 H new ATOM 2167 N GLU A 138 1.567 -10.579 -15.297 1.00 51.21 N ATOM 2168 CA GLU A 138 1.842 -11.285 -16.556 1.00 12.43 C ATOM 2169 C GLU A 138 2.844 -12.426 -16.257 1.00 41.23 C ATOM 2170 O GLU A 138 3.689 -12.768 -17.088 1.00 3.12 O ATOM 2171 CB GLU A 138 2.407 -10.289 -17.632 1.00 12.41 C ATOM 2172 CG GLU A 138 2.411 -10.816 -19.085 1.00 55.34 C ATOM 2173 CD GLU A 138 2.841 -9.743 -20.107 1.00 11.21 C ATOM 2174 OE1 GLU A 138 4.057 -9.556 -20.319 1.00 62.10 O ATOM 2175 OE2 GLU A 138 1.960 -9.086 -20.701 1.00 52.40 O ATOM 0 H GLU A 138 2.095 -10.953 -14.508 1.00 51.21 H new ATOM 0 HA GLU A 138 0.924 -11.707 -16.965 1.00 12.43 H new ATOM 0 HB2 GLU A 138 1.819 -9.372 -17.598 1.00 12.41 H new ATOM 0 HB3 GLU A 138 3.428 -10.024 -17.357 1.00 12.41 H new ATOM 0 HG2 GLU A 138 3.085 -11.670 -19.156 1.00 55.34 H new ATOM 0 HG3 GLU A 138 1.414 -11.175 -19.339 1.00 55.34 H new ATOM 2182 N ILE A 139 2.727 -13.032 -15.056 1.00 2.33 N ATOM 2183 CA ILE A 139 3.632 -14.113 -14.613 1.00 74.25 C ATOM 2184 C ILE A 139 3.283 -15.393 -15.406 1.00 61.44 C ATOM 2185 O ILE A 139 2.412 -16.170 -15.006 1.00 42.45 O ATOM 2186 CB ILE A 139 3.574 -14.380 -13.050 1.00 31.14 C ATOM 2187 CG1 ILE A 139 3.940 -13.099 -12.211 1.00 35.24 C ATOM 2188 CG2 ILE A 139 4.502 -15.559 -12.657 1.00 51.43 C ATOM 2189 CD1 ILE A 139 2.829 -12.064 -12.077 1.00 22.41 C ATOM 0 H ILE A 139 2.010 -12.788 -14.373 1.00 2.33 H new ATOM 0 HA ILE A 139 4.657 -13.803 -14.815 1.00 74.25 H new ATOM 0 HB ILE A 139 2.543 -14.644 -12.814 1.00 31.14 H new ATOM 0 HG12 ILE A 139 4.242 -13.414 -11.212 1.00 35.24 H new ATOM 0 HG13 ILE A 139 4.805 -12.621 -12.669 1.00 35.24 H new ATOM 0 HG21 ILE A 139 4.446 -15.723 -11.581 1.00 51.43 H new ATOM 0 HG22 ILE A 139 4.184 -16.462 -13.179 1.00 51.43 H new ATOM 0 HG23 ILE A 139 5.529 -15.322 -12.934 1.00 51.43 H new ATOM 0 HD11 ILE A 139 3.185 -11.223 -11.482 1.00 22.41 H new ATOM 0 HD12 ILE A 139 2.539 -11.711 -13.067 1.00 22.41 H new ATOM 0 HD13 ILE A 139 1.967 -12.517 -11.587 1.00 22.41 H new ATOM 2201 N LYS A 140 3.939 -15.550 -16.574 1.00 70.34 N ATOM 2202 CA LYS A 140 3.642 -16.611 -17.552 1.00 31.11 C ATOM 2203 C LYS A 140 4.925 -17.395 -17.892 1.00 65.14 C ATOM 2204 O LYS A 140 5.500 -17.250 -18.978 1.00 43.31 O ATOM 2205 CB LYS A 140 2.995 -16.008 -18.835 1.00 31.22 C ATOM 2206 CG LYS A 140 1.657 -15.272 -18.605 1.00 4.02 C ATOM 2207 CD LYS A 140 0.961 -14.855 -19.924 1.00 14.23 C ATOM 2208 CE LYS A 140 0.580 -16.065 -20.793 1.00 4.22 C ATOM 2209 NZ LYS A 140 -0.104 -15.667 -22.052 1.00 31.41 N ATOM 0 H LYS A 140 4.699 -14.935 -16.866 1.00 70.34 H new ATOM 0 HA LYS A 140 2.925 -17.304 -17.112 1.00 31.11 H new ATOM 0 HB2 LYS A 140 3.702 -15.313 -19.288 1.00 31.22 H new ATOM 0 HB3 LYS A 140 2.832 -16.811 -19.554 1.00 31.22 H new ATOM 0 HG2 LYS A 140 0.987 -15.916 -18.035 1.00 4.02 H new ATOM 0 HG3 LYS A 140 1.837 -14.384 -17.999 1.00 4.02 H new ATOM 0 HD2 LYS A 140 0.064 -14.280 -19.693 1.00 14.23 H new ATOM 0 HD3 LYS A 140 1.623 -14.199 -20.489 1.00 14.23 H new ATOM 0 HE2 LYS A 140 1.479 -16.632 -21.035 1.00 4.22 H new ATOM 0 HE3 LYS A 140 -0.071 -16.727 -20.223 1.00 4.22 H new ATOM 0 HZ1 LYS A 140 -0.340 -16.517 -22.602 1.00 31.41 H new ATOM 0 HZ2 LYS A 140 -0.976 -15.149 -21.824 1.00 31.41 H new ATOM 0 HZ3 LYS A 140 0.526 -15.056 -22.611 1.00 31.41 H new ATOM 2223 N SER A 141 5.381 -18.190 -16.921 1.00 73.03 N ATOM 2224 CA SER A 141 6.519 -19.112 -17.071 1.00 14.44 C ATOM 2225 C SER A 141 5.991 -20.560 -16.947 1.00 51.33 C ATOM 2226 O SER A 141 5.924 -21.277 -17.966 1.00 65.15 O ATOM 2227 CB SER A 141 7.595 -18.809 -15.993 1.00 1.10 C ATOM 2228 OG SER A 141 8.005 -17.463 -16.052 1.00 25.34 O ATOM 2229 OXT SER A 141 5.578 -20.951 -15.828 1.00 37.75 O ATOM 0 H SER A 141 4.965 -18.214 -15.990 1.00 73.03 H new ATOM 0 HA SER A 141 6.988 -18.984 -18.046 1.00 14.44 H new ATOM 0 HB2 SER A 141 7.194 -19.028 -15.003 1.00 1.10 H new ATOM 0 HB3 SER A 141 8.456 -19.462 -16.140 1.00 1.10 H new ATOM 0 HG SER A 141 8.681 -17.297 -15.363 1.00 25.34 H new TER 2235 SER A 141