USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 738 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 160 SER OG : rot -156:sc= 2.25 USER MOD Set 1.2: A 163 SER OG : rot 80:sc= 1.18 USER MOD Set 2.1: A 157 ASN : amide:sc= -0.998! C(o=-0.89!,f=-2.5!) USER MOD Set 2.2: A 158 HIS : no HD1:sc= 0.111 K(o=-0.89,f=-2.5) USER MOD Set 3.1: A 104 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 118 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 107 CYS SG : rot 110:sc= 0.26 USER MOD Set 4.2: A 138 SER OG : rot 145:sc= 0.206 USER MOD Set 5.1: A 87 HIS : no HE2:sc= 0.781 K(o=1.3,f=-1.6) USER MOD Set 5.2: A 89 HIS : no HE2:sc= 0.496 K(o=1.3,f=-5.2!) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HE2:sc= 0.231 K(o=0.23,f=-0.9) USER MOD Single : A 84 HIS : no HD1:sc=-0.00963 X(o=-0.0096,f=-0.22) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 88 HIS : no HD1:sc= -0.0135 X(o=-0.014,f=-0.014) USER MOD Single : A 90 HIS : no HD1:sc= -0.0286 X(o=-0.029,f=0) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.00067) USER MOD Single : A 100 HIS : no HD1:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 101 MET CE :methyl -161:sc= -0.138 (180deg=-0.474) USER MOD Single : A 106 TYR OH : rot -17:sc= 0.832 USER MOD Single : A 113 SER OG : rot -130:sc= 0.19 USER MOD Single : A 116 THR OG1 : rot 30:sc= 0.0657 USER MOD Single : A 120 GLN : amide:sc=-0.00172 X(o=-0.0017,f=0) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 ASN : amide:sc= -0.306 K(o=-0.31,f=-1.2) USER MOD Single : A 134 CYS SG : rot -80:sc= -1.83 USER MOD Single : A 145 SER OG : rot 97:sc= -0.0565 USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 155 THR OG1 : rot 75:sc= 0.497 USER MOD Single : A 164 TYR OH : rot 171:sc= 0.226 USER MOD Single : A 167 LYS NZ :NH3+ -128:sc= 0.351 (180deg=-0.614) USER MOD Single : A 176 GLN : amide:sc= -0.0554 K(o=-0.055,f=-6.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 80 3.158 8.663 7.614 1.00 25.00 N ATOM 2 CA MET A 80 4.328 7.862 7.171 1.00 25.00 C ATOM 3 C MET A 80 5.459 8.708 6.608 1.00 25.00 C ATOM 4 O MET A 80 5.263 9.709 5.952 1.00 25.00 O ATOM 5 CB MET A 80 3.873 6.832 6.125 1.00 25.00 C ATOM 6 CG MET A 80 2.836 5.870 6.726 1.00 25.00 C ATOM 7 SD MET A 80 2.344 4.570 5.552 1.00 25.00 S ATOM 8 CE MET A 80 0.995 3.784 6.492 1.00 25.00 C ATOM 0 HA MET A 80 4.727 7.363 8.054 1.00 25.00 H new ATOM 0 HB2 MET A 80 3.444 7.345 5.264 1.00 25.00 H new ATOM 0 HB3 MET A 80 4.733 6.268 5.764 1.00 25.00 H new ATOM 0 HG2 MET A 80 3.248 5.409 7.624 1.00 25.00 H new ATOM 0 HG3 MET A 80 1.955 6.433 7.032 1.00 25.00 H new ATOM 0 HE1 MET A 80 0.579 2.960 5.912 1.00 25.00 H new ATOM 0 HE2 MET A 80 1.384 3.403 7.436 1.00 25.00 H new ATOM 0 HE3 MET A 80 0.214 4.518 6.691 1.00 25.00 H new ATOM 18 N GLY A 81 6.697 8.317 6.923 1.00 25.00 N ATOM 19 CA GLY A 81 7.870 9.068 6.512 1.00 25.00 C ATOM 20 C GLY A 81 9.101 8.499 7.177 1.00 25.00 C ATOM 21 O GLY A 81 9.064 7.368 7.659 1.00 25.00 O ATOM 0 H GLY A 81 6.906 7.478 7.465 1.00 25.00 H new ATOM 0 HA2 GLY A 81 7.979 9.026 5.428 1.00 25.00 H new ATOM 0 HA3 GLY A 81 7.753 10.118 6.780 1.00 25.00 H new ATOM 25 N HIS A 82 10.160 9.300 7.241 1.00 25.00 N ATOM 26 CA HIS A 82 11.433 8.910 7.864 1.00 25.00 C ATOM 27 C HIS A 82 12.002 7.653 7.189 1.00 25.00 C ATOM 28 O HIS A 82 11.857 7.499 5.980 1.00 25.00 O ATOM 29 CB HIS A 82 11.258 8.721 9.382 1.00 25.00 C ATOM 30 CG HIS A 82 10.468 9.814 10.032 1.00 25.00 C ATOM 31 ND1 HIS A 82 10.958 11.063 10.321 1.00 25.00 N ATOM 32 CD2 HIS A 82 9.172 9.836 10.456 1.00 25.00 C ATOM 33 CE1 HIS A 82 9.982 11.774 10.881 1.00 25.00 C ATOM 34 NE2 HIS A 82 8.870 11.076 10.984 1.00 25.00 N ATOM 0 H HIS A 82 10.165 10.246 6.861 1.00 25.00 H new ATOM 0 HA HIS A 82 12.156 9.712 7.718 1.00 25.00 H new ATOM 0 HB2 HIS A 82 10.764 7.767 9.567 1.00 25.00 H new ATOM 0 HB3 HIS A 82 12.241 8.667 9.849 1.00 25.00 H new ATOM 0 HD2 HIS A 82 8.484 9.007 10.389 1.00 25.00 H new ATOM 0 HE1 HIS A 82 10.089 12.797 11.210 1.00 25.00 H new ATOM 0 HE2 HIS A 82 7.978 11.385 11.370 1.00 25.00 H new ATOM 42 N HIS A 83 12.708 6.821 7.957 1.00 25.00 N ATOM 43 CA HIS A 83 13.375 5.582 7.485 1.00 25.00 C ATOM 44 C HIS A 83 14.538 5.794 6.485 1.00 25.00 C ATOM 45 O HIS A 83 15.366 4.904 6.282 1.00 25.00 O ATOM 46 CB HIS A 83 12.344 4.607 6.895 1.00 25.00 C ATOM 47 CG HIS A 83 12.637 3.170 7.194 1.00 25.00 C ATOM 48 ND1 HIS A 83 13.781 2.517 6.814 1.00 25.00 N ATOM 49 CD2 HIS A 83 11.906 2.237 7.868 1.00 25.00 C ATOM 50 CE1 HIS A 83 13.710 1.263 7.246 1.00 25.00 C ATOM 51 NE2 HIS A 83 12.586 1.035 7.896 1.00 25.00 N ATOM 0 H HIS A 83 12.842 6.985 8.955 1.00 25.00 H new ATOM 0 HA HIS A 83 13.838 5.159 8.377 1.00 25.00 H new ATOM 0 HB2 HIS A 83 11.357 4.856 7.284 1.00 25.00 H new ATOM 0 HB3 HIS A 83 12.304 4.744 5.814 1.00 25.00 H new ATOM 0 HD1 HIS A 83 14.555 2.925 6.289 1.00 25.00 H new ATOM 0 HD2 HIS A 83 10.938 2.412 8.314 1.00 25.00 H new ATOM 0 HE1 HIS A 83 14.478 0.521 7.085 1.00 25.00 H new ATOM 59 N HIS A 84 14.614 6.972 5.890 1.00 25.00 N ATOM 60 CA HIS A 84 15.693 7.323 4.978 1.00 25.00 C ATOM 61 C HIS A 84 16.999 7.492 5.752 1.00 25.00 C ATOM 62 O HIS A 84 17.021 8.103 6.821 1.00 25.00 O ATOM 63 CB HIS A 84 15.342 8.634 4.265 1.00 25.00 C ATOM 64 CG HIS A 84 16.406 9.120 3.331 1.00 25.00 C ATOM 65 ND1 HIS A 84 17.453 9.928 3.702 1.00 25.00 N ATOM 66 CD2 HIS A 84 16.578 8.911 1.996 1.00 25.00 C ATOM 67 CE1 HIS A 84 18.194 10.169 2.625 1.00 25.00 C ATOM 68 NE2 HIS A 84 17.705 9.574 1.556 1.00 25.00 N ATOM 0 H HIS A 84 13.928 7.715 6.025 1.00 25.00 H new ATOM 0 HA HIS A 84 15.819 6.527 4.244 1.00 25.00 H new ATOM 0 HB2 HIS A 84 14.417 8.496 3.706 1.00 25.00 H new ATOM 0 HB3 HIS A 84 15.150 9.403 5.013 1.00 25.00 H new ATOM 0 HD2 HIS A 84 15.928 8.314 1.374 1.00 25.00 H new ATOM 0 HE1 HIS A 84 19.086 10.777 2.626 1.00 25.00 H new ATOM 0 HE2 HIS A 84 18.079 9.598 0.607 1.00 25.00 H new ATOM 76 N HIS A 85 18.087 6.993 5.185 1.00 25.00 N ATOM 77 CA HIS A 85 19.415 7.140 5.766 1.00 25.00 C ATOM 78 C HIS A 85 20.348 7.476 4.611 1.00 25.00 C ATOM 79 O HIS A 85 20.021 7.207 3.461 1.00 25.00 O ATOM 80 CB HIS A 85 19.844 5.842 6.463 1.00 25.00 C ATOM 81 CG HIS A 85 19.963 4.672 5.535 1.00 25.00 C ATOM 82 ND1 HIS A 85 21.133 4.269 4.939 1.00 25.00 N ATOM 83 CD2 HIS A 85 19.022 3.793 5.093 1.00 25.00 C ATOM 84 CE1 HIS A 85 20.868 3.213 4.176 1.00 25.00 C ATOM 85 NE2 HIS A 85 19.596 2.878 4.233 1.00 25.00 N ATOM 0 H HIS A 85 18.075 6.474 4.307 1.00 25.00 H new ATOM 0 HA HIS A 85 19.436 7.923 6.524 1.00 25.00 H new ATOM 0 HB2 HIS A 85 20.803 6.004 6.955 1.00 25.00 H new ATOM 0 HB3 HIS A 85 19.122 5.603 7.244 1.00 25.00 H new ATOM 0 HD2 HIS A 85 17.979 3.809 5.374 1.00 25.00 H new ATOM 0 HE1 HIS A 85 21.606 2.694 3.582 1.00 25.00 H new ATOM 0 HE2 HIS A 85 19.135 2.109 3.747 1.00 25.00 H new ATOM 93 N HIS A 86 21.484 8.092 4.905 1.00 25.00 N ATOM 94 CA HIS A 86 22.418 8.515 3.867 1.00 25.00 C ATOM 95 C HIS A 86 23.810 8.574 4.480 1.00 25.00 C ATOM 96 O HIS A 86 23.938 8.595 5.702 1.00 25.00 O ATOM 97 CB HIS A 86 22.012 9.896 3.336 1.00 25.00 C ATOM 98 CG HIS A 86 22.441 10.150 1.924 1.00 25.00 C ATOM 99 ND1 HIS A 86 23.644 10.701 1.560 1.00 25.00 N ATOM 100 CD2 HIS A 86 21.792 9.914 0.749 1.00 25.00 C ATOM 101 CE1 HIS A 86 23.689 10.766 0.234 1.00 25.00 C ATOM 102 NE2 HIS A 86 22.585 10.300 -0.313 1.00 25.00 N ATOM 0 H HIS A 86 21.783 8.311 5.855 1.00 25.00 H new ATOM 0 HA HIS A 86 22.407 7.812 3.034 1.00 25.00 H new ATOM 0 HB2 HIS A 86 20.928 9.996 3.400 1.00 25.00 H new ATOM 0 HB3 HIS A 86 22.441 10.663 3.980 1.00 25.00 H new ATOM 0 HD2 HIS A 86 20.803 9.488 0.662 1.00 25.00 H new ATOM 0 HE1 HIS A 86 24.527 11.153 -0.326 1.00 25.00 H new ATOM 0 HE2 HIS A 86 22.364 10.238 -1.307 1.00 25.00 H new ATOM 110 N HIS A 87 24.837 8.612 3.646 1.00 25.00 N ATOM 111 CA HIS A 87 26.221 8.713 4.103 1.00 25.00 C ATOM 112 C HIS A 87 26.993 9.408 2.990 1.00 25.00 C ATOM 113 O HIS A 87 26.427 9.671 1.933 1.00 25.00 O ATOM 114 CB HIS A 87 26.815 7.323 4.374 1.00 25.00 C ATOM 115 CG HIS A 87 27.022 6.504 3.137 1.00 25.00 C ATOM 116 ND1 HIS A 87 26.036 5.786 2.505 1.00 25.00 N ATOM 117 CD2 HIS A 87 28.146 6.284 2.399 1.00 25.00 C ATOM 118 CE1 HIS A 87 26.571 5.187 1.446 1.00 25.00 C ATOM 119 NE2 HIS A 87 27.854 5.460 1.331 1.00 25.00 N ATOM 0 H HIS A 87 24.738 8.574 2.631 1.00 25.00 H new ATOM 0 HA HIS A 87 26.279 9.271 5.038 1.00 25.00 H new ATOM 0 HB2 HIS A 87 27.770 7.440 4.886 1.00 25.00 H new ATOM 0 HB3 HIS A 87 26.155 6.781 5.051 1.00 25.00 H new ATOM 0 HD1 HIS A 87 25.061 5.723 2.798 1.00 25.00 H new ATOM 0 HD2 HIS A 87 29.121 6.694 2.617 1.00 25.00 H new ATOM 0 HE1 HIS A 87 26.022 4.555 0.764 1.00 25.00 H new ATOM 127 N HIS A 88 28.267 9.687 3.210 1.00 25.00 N ATOM 128 CA HIS A 88 29.117 10.286 2.186 1.00 25.00 C ATOM 129 C HIS A 88 30.242 9.311 1.871 1.00 25.00 C ATOM 130 O HIS A 88 30.731 8.620 2.760 1.00 25.00 O ATOM 131 CB HIS A 88 29.697 11.613 2.685 1.00 25.00 C ATOM 132 CG HIS A 88 30.647 12.251 1.718 1.00 25.00 C ATOM 133 ND1 HIS A 88 30.286 12.763 0.494 1.00 25.00 N ATOM 134 CD2 HIS A 88 31.992 12.445 1.799 1.00 25.00 C ATOM 135 CE1 HIS A 88 31.384 13.221 -0.102 1.00 25.00 C ATOM 136 NE2 HIS A 88 32.452 13.059 0.653 1.00 25.00 N ATOM 0 H HIS A 88 28.741 9.508 4.095 1.00 25.00 H new ATOM 0 HA HIS A 88 28.532 10.488 1.289 1.00 25.00 H new ATOM 0 HB2 HIS A 88 28.879 12.304 2.888 1.00 25.00 H new ATOM 0 HB3 HIS A 88 30.213 11.443 3.630 1.00 25.00 H new ATOM 0 HD2 HIS A 88 32.609 12.160 2.638 1.00 25.00 H new ATOM 0 HE1 HIS A 88 31.398 13.670 -1.084 1.00 25.00 H new ATOM 0 HE2 HIS A 88 33.411 13.329 0.437 1.00 25.00 H new ATOM 144 N HIS A 89 30.650 9.273 0.612 1.00 25.00 N ATOM 145 CA HIS A 89 31.752 8.441 0.157 1.00 25.00 C ATOM 146 C HIS A 89 32.367 9.196 -1.011 1.00 25.00 C ATOM 147 O HIS A 89 31.778 10.161 -1.494 1.00 25.00 O ATOM 148 CB HIS A 89 31.252 7.060 -0.291 1.00 25.00 C ATOM 149 CG HIS A 89 30.210 7.117 -1.366 1.00 25.00 C ATOM 150 ND1 HIS A 89 28.887 6.819 -1.173 1.00 25.00 N ATOM 151 CD2 HIS A 89 30.309 7.443 -2.686 1.00 25.00 C ATOM 152 CE1 HIS A 89 28.249 6.979 -2.327 1.00 25.00 C ATOM 153 NE2 HIS A 89 29.068 7.361 -3.286 1.00 25.00 N ATOM 0 H HIS A 89 30.220 9.825 -0.130 1.00 25.00 H new ATOM 0 HA HIS A 89 32.475 8.261 0.952 1.00 25.00 H new ATOM 0 HB2 HIS A 89 32.099 6.475 -0.649 1.00 25.00 H new ATOM 0 HB3 HIS A 89 30.843 6.534 0.572 1.00 25.00 H new ATOM 0 HD1 HIS A 89 28.464 6.524 -0.293 1.00 25.00 H new ATOM 0 HD2 HIS A 89 31.223 7.724 -3.188 1.00 25.00 H new ATOM 0 HE1 HIS A 89 27.190 6.816 -2.463 1.00 25.00 H new ATOM 161 N HIS A 90 33.531 8.758 -1.462 1.00 25.00 N ATOM 162 CA HIS A 90 34.218 9.382 -2.586 1.00 25.00 C ATOM 163 C HIS A 90 35.071 8.296 -3.225 1.00 25.00 C ATOM 164 O HIS A 90 35.132 7.182 -2.709 1.00 25.00 O ATOM 165 CB HIS A 90 35.107 10.542 -2.110 1.00 0.00 C ATOM 166 CG HIS A 90 36.251 10.109 -1.245 1.00 25.00 C ATOM 167 ND1 HIS A 90 36.184 9.974 0.119 1.00 25.00 N ATOM 168 CD2 HIS A 90 37.532 9.775 -1.569 1.00 25.00 C ATOM 169 CE1 HIS A 90 37.373 9.568 0.556 1.00 25.00 C ATOM 170 NE2 HIS A 90 38.232 9.428 -0.432 1.00 25.00 N ATOM 0 H HIS A 90 34.027 7.962 -1.062 1.00 25.00 H new ATOM 0 HA HIS A 90 33.502 9.797 -3.295 1.00 25.00 H new ATOM 0 HB2 HIS A 90 35.500 11.068 -2.980 1.00 0.00 H new ATOM 0 HB3 HIS A 90 34.494 11.254 -1.557 1.00 0.00 H new ATOM 0 HD2 HIS A 90 37.939 9.781 -2.569 1.00 25.00 H new ATOM 0 HE1 HIS A 90 37.605 9.377 1.593 1.00 25.00 H new ATOM 0 HE2 HIS A 90 39.205 9.128 -0.370 1.00 25.00 H new ATOM 178 N HIS A 91 35.746 8.631 -4.311 1.00 25.00 N ATOM 179 CA HIS A 91 36.671 7.720 -4.974 1.00 25.00 C ATOM 180 C HIS A 91 37.991 8.471 -5.062 1.00 25.00 C ATOM 181 O HIS A 91 37.988 9.699 -5.106 1.00 25.00 O ATOM 182 CB HIS A 91 36.149 7.360 -6.371 1.00 25.00 C ATOM 183 CG HIS A 91 36.909 6.251 -7.030 1.00 25.00 C ATOM 184 ND1 HIS A 91 38.060 6.420 -7.762 1.00 25.00 N ATOM 185 CD2 HIS A 91 36.667 4.911 -7.061 1.00 25.00 C ATOM 186 CE1 HIS A 91 38.465 5.226 -8.181 1.00 25.00 C ATOM 187 NE2 HIS A 91 37.650 4.269 -7.787 1.00 25.00 N ATOM 0 H HIS A 91 35.670 9.543 -4.761 1.00 25.00 H new ATOM 0 HA HIS A 91 36.785 6.783 -4.429 1.00 25.00 H new ATOM 0 HB2 HIS A 91 35.100 7.074 -6.295 1.00 25.00 H new ATOM 0 HB3 HIS A 91 36.193 8.246 -7.005 1.00 25.00 H new ATOM 0 HD2 HIS A 91 35.829 4.422 -6.587 1.00 25.00 H new ATOM 0 HE1 HIS A 91 39.354 5.060 -8.772 1.00 25.00 H new ATOM 0 HE2 HIS A 91 37.728 3.270 -7.977 1.00 25.00 H new ATOM 195 N SER A 92 39.102 7.751 -5.085 1.00 25.00 N ATOM 196 CA SER A 92 40.423 8.363 -5.189 1.00 25.00 C ATOM 197 C SER A 92 41.265 7.447 -6.062 1.00 25.00 C ATOM 198 O SER A 92 40.991 6.250 -6.140 1.00 25.00 O ATOM 199 CB SER A 92 41.053 8.520 -3.804 1.00 25.00 C ATOM 200 OG SER A 92 42.301 9.184 -3.891 1.00 25.00 O ATOM 0 H SER A 92 39.117 6.732 -5.033 1.00 25.00 H new ATOM 0 HA SER A 92 40.357 9.360 -5.625 1.00 25.00 H new ATOM 0 HB2 SER A 92 40.381 9.083 -3.156 1.00 25.00 H new ATOM 0 HB3 SER A 92 41.189 7.539 -3.348 1.00 25.00 H new ATOM 0 HG SER A 92 42.686 9.276 -2.994 1.00 25.00 H new ATOM 206 N SER A 93 42.245 8.009 -6.751 1.00 25.00 N ATOM 207 CA SER A 93 43.091 7.257 -7.672 1.00 25.00 C ATOM 208 C SER A 93 44.392 8.028 -7.836 1.00 25.00 C ATOM 209 O SER A 93 44.481 9.179 -7.418 1.00 25.00 O ATOM 210 CB SER A 93 42.391 7.120 -9.028 1.00 25.00 C ATOM 211 OG SER A 93 42.029 8.393 -9.542 1.00 25.00 O ATOM 0 H SER A 93 42.479 9.000 -6.690 1.00 25.00 H new ATOM 0 HA SER A 93 43.285 6.257 -7.284 1.00 25.00 H new ATOM 0 HB2 SER A 93 43.050 6.613 -9.733 1.00 25.00 H new ATOM 0 HB3 SER A 93 41.501 6.500 -8.921 1.00 25.00 H new ATOM 0 HG SER A 93 41.585 8.282 -10.409 1.00 25.00 H new ATOM 217 N GLY A 94 45.381 7.409 -8.462 1.00 25.00 N ATOM 218 CA GLY A 94 46.656 8.061 -8.705 1.00 25.00 C ATOM 219 C GLY A 94 47.398 7.254 -9.745 1.00 25.00 C ATOM 220 O GLY A 94 46.812 6.339 -10.324 1.00 25.00 O ATOM 0 H GLY A 94 45.323 6.453 -8.812 1.00 25.00 H new ATOM 0 HA2 GLY A 94 46.502 9.083 -9.053 1.00 25.00 H new ATOM 0 HA3 GLY A 94 47.236 8.122 -7.784 1.00 25.00 H new ATOM 224 N HIS A 95 48.663 7.571 -9.979 1.00 25.00 N ATOM 225 CA HIS A 95 49.476 6.867 -10.972 1.00 25.00 C ATOM 226 C HIS A 95 50.754 6.403 -10.290 1.00 25.00 C ATOM 227 O HIS A 95 51.080 6.881 -9.206 1.00 25.00 O ATOM 228 CB HIS A 95 49.834 7.805 -12.134 1.00 25.00 C ATOM 229 CG HIS A 95 48.655 8.514 -12.731 1.00 25.00 C ATOM 230 ND1 HIS A 95 48.690 9.805 -13.192 1.00 25.00 N ATOM 231 CD2 HIS A 95 47.375 8.095 -12.945 1.00 25.00 C ATOM 232 CE1 HIS A 95 47.479 10.118 -13.644 1.00 25.00 C ATOM 233 NE2 HIS A 95 46.635 9.114 -13.515 1.00 25.00 N ATOM 0 H HIS A 95 49.157 8.318 -9.491 1.00 25.00 H new ATOM 0 HA HIS A 95 48.918 6.020 -11.371 1.00 25.00 H new ATOM 0 HB2 HIS A 95 50.551 8.547 -11.781 1.00 25.00 H new ATOM 0 HB3 HIS A 95 50.331 7.228 -12.914 1.00 25.00 H new ATOM 0 HD2 HIS A 95 46.996 7.113 -12.705 1.00 25.00 H new ATOM 0 HE1 HIS A 95 47.219 11.078 -14.065 1.00 25.00 H new ATOM 0 HE2 HIS A 95 45.650 9.093 -13.778 1.00 25.00 H new ATOM 241 N ILE A 96 51.479 5.499 -10.931 1.00 25.00 N ATOM 242 CA ILE A 96 52.769 5.037 -10.420 1.00 25.00 C ATOM 243 C ILE A 96 53.815 5.667 -11.325 1.00 25.00 C ATOM 244 O ILE A 96 53.878 5.357 -12.511 1.00 25.00 O ATOM 245 CB ILE A 96 52.896 3.483 -10.448 1.00 25.00 C ATOM 246 CG1 ILE A 96 51.765 2.844 -9.610 1.00 25.00 C ATOM 247 CG2 ILE A 96 54.289 3.048 -9.907 1.00 25.00 C ATOM 248 CD1 ILE A 96 51.657 1.313 -9.746 1.00 25.00 C ATOM 0 H ILE A 96 51.198 5.066 -11.811 1.00 25.00 H new ATOM 0 HA ILE A 96 52.891 5.326 -9.376 1.00 25.00 H new ATOM 0 HB ILE A 96 52.803 3.138 -11.478 1.00 25.00 H new ATOM 0 HG12 ILE A 96 51.922 3.093 -8.561 1.00 25.00 H new ATOM 0 HG13 ILE A 96 50.815 3.290 -9.904 1.00 25.00 H new ATOM 0 HG21 ILE A 96 54.366 1.961 -9.932 1.00 25.00 H new ATOM 0 HG22 ILE A 96 55.072 3.481 -10.529 1.00 25.00 H new ATOM 0 HG23 ILE A 96 54.406 3.397 -8.881 1.00 25.00 H new ATOM 0 HD11 ILE A 96 50.838 0.949 -9.125 1.00 25.00 H new ATOM 0 HD12 ILE A 96 51.466 1.053 -10.787 1.00 25.00 H new ATOM 0 HD13 ILE A 96 52.590 0.852 -9.422 1.00 25.00 H new ATOM 260 N GLU A 97 54.584 6.592 -10.776 1.00 25.00 N ATOM 261 CA GLU A 97 55.578 7.333 -11.547 1.00 25.00 C ATOM 262 C GLU A 97 56.965 6.721 -11.333 1.00 25.00 C ATOM 263 O GLU A 97 57.169 5.945 -10.398 1.00 25.00 O ATOM 264 CB GLU A 97 55.553 8.808 -11.118 1.00 25.00 C ATOM 265 CG GLU A 97 56.000 9.773 -12.208 1.00 25.00 C ATOM 266 CD GLU A 97 55.157 9.635 -13.466 1.00 25.00 C ATOM 267 OE1 GLU A 97 53.960 10.002 -13.439 1.00 25.00 O ATOM 268 OE2 GLU A 97 55.674 9.072 -14.456 1.00 25.00 O1- ATOM 0 H GLU A 97 54.541 6.852 -9.791 1.00 25.00 H new ATOM 0 HA GLU A 97 55.344 7.274 -12.610 1.00 25.00 H new ATOM 0 HB2 GLU A 97 54.541 9.069 -10.807 1.00 25.00 H new ATOM 0 HB3 GLU A 97 56.197 8.934 -10.247 1.00 25.00 H new ATOM 0 HG2 GLU A 97 55.934 10.796 -11.837 1.00 25.00 H new ATOM 0 HG3 GLU A 97 57.047 9.588 -12.450 1.00 25.00 H new ATOM 275 N GLY A 98 57.917 7.065 -12.191 1.00 25.00 N ATOM 276 CA GLY A 98 59.264 6.528 -12.078 1.00 25.00 C ATOM 277 C GLY A 98 60.257 7.419 -12.792 1.00 25.00 C ATOM 278 O GLY A 98 59.898 8.511 -13.198 1.00 25.00 O ATOM 0 H GLY A 98 57.781 7.711 -12.969 1.00 25.00 H new ATOM 0 HA2 GLY A 98 59.538 6.439 -11.027 1.00 25.00 H new ATOM 0 HA3 GLY A 98 59.298 5.525 -12.502 1.00 25.00 H new ATOM 282 N ARG A 99 61.500 6.949 -12.928 1.00 25.00 N ATOM 283 CA ARG A 99 62.602 7.689 -13.598 1.00 25.00 C ATOM 284 C ARG A 99 62.977 8.996 -12.873 1.00 25.00 C ATOM 285 O ARG A 99 63.776 9.782 -13.363 1.00 25.00 O ATOM 286 CB ARG A 99 62.239 7.972 -15.076 1.00 25.00 C ATOM 287 CG ARG A 99 63.434 8.202 -16.031 1.00 25.00 C ATOM 288 CD ARG A 99 64.116 6.903 -16.439 1.00 25.00 C ATOM 289 NE ARG A 99 63.276 6.123 -17.364 1.00 25.00 N ATOM 290 CZ ARG A 99 63.641 4.999 -17.969 1.00 25.00 C ATOM 291 NH1 ARG A 99 64.823 4.460 -17.792 1.00 25.00 N1+ ATOM 292 NH2 ARG A 99 62.801 4.411 -18.776 1.00 25.00 N ATOM 0 H ARG A 99 61.785 6.035 -12.576 1.00 25.00 H new ATOM 0 HA ARG A 99 63.482 7.048 -13.558 1.00 25.00 H new ATOM 0 HB2 ARG A 99 61.653 7.134 -15.453 1.00 25.00 H new ATOM 0 HB3 ARG A 99 61.596 8.852 -15.110 1.00 25.00 H new ATOM 0 HG2 ARG A 99 63.086 8.721 -16.924 1.00 25.00 H new ATOM 0 HG3 ARG A 99 64.161 8.853 -15.547 1.00 25.00 H new ATOM 0 HD2 ARG A 99 65.072 7.125 -16.913 1.00 25.00 H new ATOM 0 HD3 ARG A 99 64.331 6.309 -15.551 1.00 25.00 H new ATOM 0 HE ARG A 99 62.338 6.475 -17.555 1.00 25.00 H new ATOM 0 HH11 ARG A 99 65.499 4.906 -17.171 1.00 25.00 H new ATOM 0 HH12 ARG A 99 65.067 3.595 -18.275 1.00 25.00 H new ATOM 0 HH21 ARG A 99 61.878 4.816 -18.935 1.00 25.00 H new ATOM 0 HH22 ARG A 99 63.067 3.547 -19.248 1.00 25.00 H new ATOM 306 N HIS A 100 62.458 9.181 -11.673 1.00 25.00 N ATOM 307 CA HIS A 100 62.781 10.339 -10.870 1.00 25.00 C ATOM 308 C HIS A 100 63.780 9.874 -9.847 1.00 25.00 C ATOM 309 O HIS A 100 63.919 8.673 -9.613 1.00 25.00 O ATOM 310 CB HIS A 100 61.534 10.885 -10.180 1.00 25.00 C ATOM 311 CG HIS A 100 60.578 11.552 -11.116 1.00 25.00 C ATOM 312 ND1 HIS A 100 60.878 12.670 -11.853 1.00 25.00 N ATOM 313 CD2 HIS A 100 59.292 11.248 -11.443 1.00 25.00 C ATOM 314 CE1 HIS A 100 59.810 12.994 -12.571 1.00 25.00 C ATOM 315 NE2 HIS A 100 58.808 12.168 -12.352 1.00 25.00 N ATOM 0 H HIS A 100 61.804 8.534 -11.232 1.00 25.00 H new ATOM 0 HA HIS A 100 63.183 11.143 -11.487 1.00 25.00 H new ATOM 0 HB2 HIS A 100 61.022 10.068 -9.672 1.00 25.00 H new ATOM 0 HB3 HIS A 100 61.836 11.598 -9.413 1.00 25.00 H new ATOM 0 HD2 HIS A 100 58.733 10.412 -11.050 1.00 25.00 H new ATOM 0 HE1 HIS A 100 59.768 13.832 -13.251 1.00 25.00 H new ATOM 0 HE2 HIS A 100 57.876 12.201 -12.765 1.00 25.00 H new ATOM 323 N MET A 101 64.461 10.822 -9.236 1.00 25.00 N ATOM 324 CA MET A 101 65.449 10.526 -8.222 1.00 25.00 C ATOM 325 C MET A 101 65.303 11.549 -7.104 1.00 25.00 C ATOM 326 O MET A 101 64.691 12.606 -7.302 1.00 25.00 O ATOM 327 CB MET A 101 66.850 10.585 -8.837 1.00 25.00 C ATOM 328 CG MET A 101 67.204 11.952 -9.406 1.00 25.00 C ATOM 329 SD MET A 101 68.728 11.915 -10.345 1.00 25.00 S ATOM 330 CE MET A 101 68.863 13.643 -10.790 1.00 25.00 C ATOM 0 H MET A 101 64.345 11.817 -9.429 1.00 25.00 H new ATOM 0 HA MET A 101 65.300 9.524 -7.819 1.00 25.00 H new ATOM 0 HB2 MET A 101 67.584 10.315 -8.078 1.00 25.00 H new ATOM 0 HB3 MET A 101 66.922 9.840 -9.629 1.00 25.00 H new ATOM 0 HG2 MET A 101 66.393 12.299 -10.046 1.00 25.00 H new ATOM 0 HG3 MET A 101 67.298 12.670 -8.592 1.00 25.00 H new ATOM 0 HE1 MET A 101 69.543 13.749 -11.635 1.00 25.00 H new ATOM 0 HE2 MET A 101 67.880 14.026 -11.065 1.00 25.00 H new ATOM 0 HE3 MET A 101 69.248 14.208 -9.941 1.00 25.00 H new ATOM 340 N LEU A 102 65.847 11.237 -5.940 1.00 25.00 N ATOM 341 CA LEU A 102 65.756 12.109 -4.771 1.00 25.00 C ATOM 342 C LEU A 102 67.130 12.689 -4.454 1.00 25.00 C ATOM 343 O LEU A 102 68.118 11.958 -4.408 1.00 25.00 O ATOM 344 CB LEU A 102 65.252 11.299 -3.570 1.00 25.00 C ATOM 345 CG LEU A 102 64.888 12.106 -2.311 1.00 25.00 C ATOM 346 CD1 LEU A 102 63.525 12.785 -2.470 1.00 25.00 C ATOM 347 CD2 LEU A 102 64.860 11.188 -1.094 1.00 25.00 C ATOM 0 H LEU A 102 66.365 10.374 -5.774 1.00 25.00 H new ATOM 0 HA LEU A 102 65.062 12.923 -4.980 1.00 25.00 H new ATOM 0 HB2 LEU A 102 64.373 10.735 -3.882 1.00 25.00 H new ATOM 0 HB3 LEU A 102 66.018 10.572 -3.301 1.00 25.00 H new ATOM 0 HG LEU A 102 65.646 12.876 -2.171 1.00 25.00 H new ATOM 0 HD11 LEU A 102 63.292 13.349 -1.567 1.00 25.00 H new ATOM 0 HD12 LEU A 102 63.553 13.463 -3.323 1.00 25.00 H new ATOM 0 HD13 LEU A 102 62.758 12.028 -2.633 1.00 25.00 H new ATOM 0 HD21 LEU A 102 64.602 11.767 -0.207 1.00 25.00 H new ATOM 0 HD22 LEU A 102 64.117 10.405 -1.246 1.00 25.00 H new ATOM 0 HD23 LEU A 102 65.842 10.734 -0.958 1.00 25.00 H new ATOM 359 N LEU A 103 67.193 13.990 -4.220 1.00 25.00 N ATOM 360 CA LEU A 103 68.447 14.657 -3.853 1.00 25.00 C ATOM 361 C LEU A 103 68.236 15.428 -2.573 1.00 25.00 C ATOM 362 O LEU A 103 67.140 15.916 -2.324 1.00 25.00 O ATOM 363 CB LEU A 103 68.883 15.638 -4.942 1.00 25.00 C ATOM 364 CG LEU A 103 69.166 15.046 -6.326 1.00 25.00 C ATOM 365 CD1 LEU A 103 69.525 16.181 -7.267 1.00 25.00 C ATOM 366 CD2 LEU A 103 70.297 14.029 -6.291 1.00 25.00 C ATOM 0 H LEU A 103 66.389 14.615 -4.276 1.00 25.00 H new ATOM 0 HA LEU A 103 69.219 13.898 -3.729 1.00 25.00 H new ATOM 0 HB2 LEU A 103 68.107 16.396 -5.048 1.00 25.00 H new ATOM 0 HB3 LEU A 103 69.783 16.149 -4.600 1.00 25.00 H new ATOM 0 HG LEU A 103 68.274 14.523 -6.670 1.00 25.00 H new ATOM 0 HD11 LEU A 103 69.730 15.780 -8.259 1.00 25.00 H new ATOM 0 HD12 LEU A 103 68.693 16.883 -7.325 1.00 25.00 H new ATOM 0 HD13 LEU A 103 70.410 16.697 -6.894 1.00 25.00 H new ATOM 0 HD21 LEU A 103 70.463 13.635 -7.294 1.00 25.00 H new ATOM 0 HD22 LEU A 103 71.208 14.510 -5.934 1.00 25.00 H new ATOM 0 HD23 LEU A 103 70.031 13.212 -5.620 1.00 25.00 H new ATOM 378 N THR A 104 69.284 15.577 -1.782 1.00 25.00 N ATOM 379 CA THR A 104 69.201 16.355 -0.551 1.00 25.00 C ATOM 380 C THR A 104 69.713 17.755 -0.856 1.00 25.00 C ATOM 381 O THR A 104 70.667 17.919 -1.606 1.00 25.00 O ATOM 382 CB THR A 104 70.042 15.704 0.564 1.00 25.00 C ATOM 383 OG1 THR A 104 69.684 14.325 0.670 1.00 25.00 O ATOM 384 CG2 THR A 104 69.791 16.360 1.917 1.00 25.00 C ATOM 0 H THR A 104 70.202 15.172 -1.966 1.00 25.00 H new ATOM 0 HA THR A 104 68.170 16.394 -0.199 1.00 25.00 H new ATOM 0 HB THR A 104 71.093 15.827 0.304 1.00 25.00 H new ATOM 0 HG1 THR A 104 70.216 13.902 1.376 1.00 25.00 H new ATOM 0 HG21 THR A 104 70.402 15.873 2.677 1.00 25.00 H new ATOM 0 HG22 THR A 104 70.053 17.417 1.863 1.00 25.00 H new ATOM 0 HG23 THR A 104 68.738 16.260 2.180 1.00 25.00 H new ATOM 392 N VAL A 105 69.075 18.769 -0.302 1.00 25.00 N ATOM 393 CA VAL A 105 69.500 20.145 -0.496 1.00 25.00 C ATOM 394 C VAL A 105 69.710 20.777 0.867 1.00 25.00 C ATOM 395 O VAL A 105 68.817 20.767 1.709 1.00 25.00 O ATOM 396 CB VAL A 105 68.454 20.951 -1.290 1.00 25.00 C ATOM 397 CG1 VAL A 105 68.948 22.378 -1.528 1.00 25.00 C ATOM 398 CG2 VAL A 105 68.168 20.272 -2.633 1.00 25.00 C ATOM 0 H VAL A 105 68.252 18.665 0.292 1.00 25.00 H new ATOM 0 HA VAL A 105 70.426 20.153 -1.071 1.00 25.00 H new ATOM 0 HB VAL A 105 67.534 20.988 -0.707 1.00 25.00 H new ATOM 0 HG11 VAL A 105 68.198 22.934 -2.090 1.00 25.00 H new ATOM 0 HG12 VAL A 105 69.120 22.868 -0.570 1.00 25.00 H new ATOM 0 HG13 VAL A 105 69.879 22.351 -2.094 1.00 25.00 H new ATOM 0 HG21 VAL A 105 67.427 20.852 -3.184 1.00 25.00 H new ATOM 0 HG22 VAL A 105 69.088 20.213 -3.214 1.00 25.00 H new ATOM 0 HG23 VAL A 105 67.785 19.267 -2.458 1.00 25.00 H new ATOM 408 N TYR A 106 70.901 21.310 1.083 1.00 25.00 N ATOM 409 CA TYR A 106 71.244 21.962 2.340 1.00 25.00 C ATOM 410 C TYR A 106 71.435 23.451 2.064 1.00 25.00 C ATOM 411 O TYR A 106 72.372 23.847 1.369 1.00 25.00 O ATOM 412 CB TYR A 106 72.521 21.336 2.914 1.00 25.00 C ATOM 413 CG TYR A 106 72.773 21.679 4.368 1.00 25.00 C ATOM 414 CD1 TYR A 106 73.011 23.007 4.771 1.00 25.00 C ATOM 415 CD2 TYR A 106 72.786 20.669 5.354 1.00 25.00 C ATOM 416 CE1 TYR A 106 73.251 23.322 6.128 1.00 25.00 C ATOM 417 CE2 TYR A 106 73.032 20.988 6.721 1.00 25.00 C ATOM 418 CZ TYR A 106 73.266 22.316 7.088 1.00 25.00 C ATOM 419 OH TYR A 106 73.518 22.642 8.394 1.00 25.00 O ATOM 0 H TYR A 106 71.656 21.304 0.397 1.00 25.00 H new ATOM 0 HA TYR A 106 70.450 21.830 3.075 1.00 25.00 H new ATOM 0 HB2 TYR A 106 72.460 20.253 2.812 1.00 25.00 H new ATOM 0 HB3 TYR A 106 73.374 21.665 2.320 1.00 25.00 H new ATOM 0 HD1 TYR A 106 73.010 23.796 4.033 1.00 25.00 H new ATOM 0 HD2 TYR A 106 72.607 19.643 5.069 1.00 25.00 H new ATOM 0 HE1 TYR A 106 73.423 24.347 6.420 1.00 25.00 H new ATOM 0 HE2 TYR A 106 73.038 20.209 7.469 1.00 25.00 H new ATOM 0 HH TYR A 106 73.923 23.533 8.436 1.00 25.00 H new ATOM 429 N CYS A 107 70.538 24.273 2.580 1.00 25.00 N ATOM 430 CA CYS A 107 70.590 25.716 2.371 1.00 25.00 C ATOM 431 C CYS A 107 71.251 26.387 3.562 1.00 25.00 C ATOM 432 O CYS A 107 70.874 26.146 4.695 1.00 25.00 O ATOM 433 CB CYS A 107 69.173 26.263 2.211 1.00 25.00 C ATOM 434 SG CYS A 107 68.293 25.550 0.812 1.00 25.00 S ATOM 0 H CYS A 107 69.754 23.964 3.155 1.00 25.00 H new ATOM 0 HA CYS A 107 71.168 25.923 1.470 1.00 25.00 H new ATOM 0 HB2 CYS A 107 68.610 26.068 3.124 1.00 25.00 H new ATOM 0 HB3 CYS A 107 69.220 27.345 2.090 1.00 25.00 H new ATOM 0 HG CYS A 107 67.349 24.769 1.246 1.00 25.00 H new ATOM 440 N VAL A 108 72.224 27.246 3.299 1.00 25.00 N ATOM 441 CA VAL A 108 72.943 27.959 4.352 1.00 25.00 C ATOM 442 C VAL A 108 72.744 29.455 4.183 1.00 25.00 C ATOM 443 O VAL A 108 72.931 29.991 3.090 1.00 25.00 O ATOM 444 CB VAL A 108 74.478 27.670 4.290 1.00 25.00 C ATOM 445 CG1 VAL A 108 75.199 28.278 5.511 1.00 25.00 C ATOM 446 CG2 VAL A 108 74.748 26.167 4.238 1.00 25.00 C ATOM 0 H VAL A 108 72.539 27.470 2.355 1.00 25.00 H new ATOM 0 HA VAL A 108 72.549 27.616 5.309 1.00 25.00 H new ATOM 0 HB VAL A 108 74.863 28.132 3.381 1.00 25.00 H new ATOM 0 HG11 VAL A 108 76.266 28.065 5.447 1.00 25.00 H new ATOM 0 HG12 VAL A 108 75.045 29.357 5.524 1.00 25.00 H new ATOM 0 HG13 VAL A 108 74.796 27.843 6.425 1.00 25.00 H new ATOM 0 HG21 VAL A 108 75.823 25.992 4.195 1.00 25.00 H new ATOM 0 HG22 VAL A 108 74.338 25.693 5.130 1.00 25.00 H new ATOM 0 HG23 VAL A 108 74.276 25.743 3.352 1.00 25.00 H new ATOM 456 N ARG A 109 72.431 30.142 5.274 1.00 25.00 N ATOM 457 CA ARG A 109 72.383 31.599 5.288 1.00 25.00 C ATOM 458 C ARG A 109 73.440 32.050 6.270 1.00 25.00 C ATOM 459 O ARG A 109 73.706 31.350 7.241 1.00 25.00 O ATOM 460 CB ARG A 109 71.016 32.098 5.743 1.00 25.00 C ATOM 461 CG ARG A 109 69.879 31.782 4.767 1.00 25.00 C ATOM 462 CD ARG A 109 68.711 32.782 4.877 1.00 25.00 C ATOM 463 NE ARG A 109 69.125 34.142 4.485 1.00 25.00 N ATOM 464 CZ ARG A 109 69.396 35.145 5.314 1.00 25.00 C ATOM 465 NH1 ARG A 109 69.287 35.044 6.612 1.00 25.00 N1+ ATOM 466 NH2 ARG A 109 69.812 36.272 4.819 1.00 25.00 N ATOM 0 H ARG A 109 72.204 29.709 6.169 1.00 25.00 H new ATOM 0 HA ARG A 109 72.558 31.997 4.289 1.00 25.00 H new ATOM 0 HB2 ARG A 109 70.783 31.655 6.711 1.00 25.00 H new ATOM 0 HB3 ARG A 109 71.065 33.177 5.890 1.00 25.00 H new ATOM 0 HG2 ARG A 109 70.266 31.791 3.748 1.00 25.00 H new ATOM 0 HG3 ARG A 109 69.510 30.775 4.959 1.00 25.00 H new ATOM 0 HD2 ARG A 109 67.888 32.454 4.242 1.00 25.00 H new ATOM 0 HD3 ARG A 109 68.337 32.795 5.901 1.00 25.00 H new ATOM 0 HE ARG A 109 69.211 34.330 3.486 1.00 25.00 H new ATOM 0 HH11 ARG A 109 68.982 34.166 7.031 1.00 25.00 H new ATOM 0 HH12 ARG A 109 69.507 35.843 7.206 1.00 25.00 H new ATOM 0 HH21 ARG A 109 69.925 36.375 3.811 1.00 25.00 H new ATOM 0 HH22 ARG A 109 70.025 37.054 5.439 1.00 25.00 H new ATOM 480 N ARG A 110 74.036 33.213 6.039 1.00 25.00 N ATOM 481 CA ARG A 110 75.084 33.722 6.938 1.00 25.00 C ATOM 482 C ARG A 110 74.550 33.929 8.352 1.00 25.00 C ATOM 483 O ARG A 110 75.274 33.761 9.323 1.00 25.00 O ATOM 484 CB ARG A 110 75.662 35.042 6.407 1.00 25.00 C ATOM 485 CG ARG A 110 76.882 35.517 7.200 1.00 25.00 C ATOM 486 CD ARG A 110 77.491 36.778 6.623 1.00 25.00 C ATOM 487 NE ARG A 110 78.677 37.178 7.403 1.00 25.00 N ATOM 488 CZ ARG A 110 79.458 38.218 7.138 1.00 25.00 C ATOM 489 NH1 ARG A 110 79.246 39.010 6.115 1.00 25.00 N1+ ATOM 490 NH2 ARG A 110 80.474 38.465 7.918 1.00 25.00 N ATOM 0 H ARG A 110 73.821 33.821 5.249 1.00 25.00 H new ATOM 0 HA ARG A 110 75.875 32.973 6.972 1.00 25.00 H new ATOM 0 HB2 ARG A 110 75.941 34.916 5.361 1.00 25.00 H new ATOM 0 HB3 ARG A 110 74.890 35.811 6.441 1.00 25.00 H new ATOM 0 HG2 ARG A 110 76.591 35.698 8.235 1.00 25.00 H new ATOM 0 HG3 ARG A 110 77.633 34.727 7.213 1.00 25.00 H new ATOM 0 HD2 ARG A 110 77.771 36.612 5.583 1.00 25.00 H new ATOM 0 HD3 ARG A 110 76.755 37.582 6.630 1.00 25.00 H new ATOM 0 HE ARG A 110 78.917 36.608 8.214 1.00 25.00 H new ATOM 0 HH11 ARG A 110 78.459 38.837 5.490 1.00 25.00 H new ATOM 0 HH12 ARG A 110 79.868 39.800 5.944 1.00 25.00 H new ATOM 0 HH21 ARG A 110 80.660 37.862 8.720 1.00 25.00 H new ATOM 0 HH22 ARG A 110 81.083 39.261 7.726 1.00 25.00 H new ATOM 504 N ASP A 111 73.276 34.266 8.451 1.00 25.00 N ATOM 505 CA ASP A 111 72.638 34.554 9.739 1.00 25.00 C ATOM 506 C ASP A 111 72.157 33.282 10.459 1.00 25.00 C ATOM 507 O ASP A 111 71.194 33.320 11.215 1.00 25.00 O ATOM 508 CB ASP A 111 71.457 35.503 9.513 1.00 25.00 C ATOM 509 CG ASP A 111 71.833 36.705 8.660 1.00 25.00 C ATOM 510 OD1 ASP A 111 72.890 37.324 8.904 1.00 25.00 O ATOM 511 OD2 ASP A 111 71.107 36.965 7.671 1.00 25.00 O1- ATOM 0 H ASP A 111 72.651 34.350 7.649 1.00 25.00 H new ATOM 0 HA ASP A 111 73.385 35.019 10.382 1.00 25.00 H new ATOM 0 HB2 ASP A 111 70.645 34.959 9.031 1.00 25.00 H new ATOM 0 HB3 ASP A 111 71.082 35.848 10.477 1.00 25.00 H new ATOM 516 N LEU A 112 72.827 32.162 10.184 1.00 25.00 N ATOM 517 CA LEU A 112 72.556 30.848 10.807 1.00 25.00 C ATOM 518 C LEU A 112 71.114 30.366 10.625 1.00 25.00 C ATOM 519 O LEU A 112 70.599 29.573 11.396 1.00 25.00 O ATOM 520 CB LEU A 112 72.929 30.864 12.299 1.00 25.00 C ATOM 521 CG LEU A 112 74.369 31.292 12.637 1.00 25.00 C ATOM 522 CD1 LEU A 112 74.537 31.347 14.154 1.00 25.00 C ATOM 523 CD2 LEU A 112 75.406 30.329 12.038 1.00 25.00 C ATOM 0 H LEU A 112 73.591 32.133 9.509 1.00 25.00 H new ATOM 0 HA LEU A 112 73.188 30.133 10.280 1.00 25.00 H new ATOM 0 HB2 LEU A 112 72.242 31.534 12.816 1.00 25.00 H new ATOM 0 HB3 LEU A 112 72.765 29.865 12.704 1.00 25.00 H new ATOM 0 HG LEU A 112 74.539 32.277 12.202 1.00 25.00 H new ATOM 0 HD11 LEU A 112 75.556 31.650 14.397 1.00 25.00 H new ATOM 0 HD12 LEU A 112 73.835 32.068 14.572 1.00 25.00 H new ATOM 0 HD13 LEU A 112 74.341 30.362 14.578 1.00 25.00 H new ATOM 0 HD21 LEU A 112 76.409 30.666 12.299 1.00 25.00 H new ATOM 0 HD22 LEU A 112 75.245 29.327 12.436 1.00 25.00 H new ATOM 0 HD23 LEU A 112 75.301 30.310 10.953 1.00 25.00 H new ATOM 535 N SER A 113 70.490 30.835 9.561 1.00 25.00 N ATOM 536 CA SER A 113 69.115 30.480 9.200 1.00 25.00 C ATOM 537 C SER A 113 69.069 29.212 8.346 1.00 25.00 C ATOM 538 O SER A 113 68.245 29.084 7.445 1.00 25.00 O ATOM 539 CB SER A 113 68.478 31.629 8.450 1.00 25.00 C ATOM 540 OG SER A 113 69.162 32.841 8.735 1.00 25.00 O ATOM 0 H SER A 113 70.925 31.485 8.907 1.00 25.00 H new ATOM 0 HA SER A 113 68.561 30.284 10.118 1.00 25.00 H new ATOM 0 HB2 SER A 113 68.504 31.432 7.378 1.00 25.00 H new ATOM 0 HB3 SER A 113 67.429 31.720 8.732 1.00 25.00 H new ATOM 0 HG SER A 113 68.514 33.531 8.988 1.00 25.00 H new ATOM 546 N GLU A 114 70.081 28.382 8.506 1.00 25.00 N ATOM 547 CA GLU A 114 70.298 27.233 7.631 1.00 25.00 C ATOM 548 C GLU A 114 69.275 26.114 7.879 1.00 25.00 C ATOM 549 O GLU A 114 68.723 25.980 8.969 1.00 25.00 O ATOM 550 CB GLU A 114 71.730 26.708 7.828 1.00 25.00 C ATOM 551 CG GLU A 114 72.047 26.184 9.232 1.00 25.00 C ATOM 552 CD GLU A 114 73.530 25.860 9.400 1.00 25.00 C ATOM 553 OE1 GLU A 114 74.163 25.414 8.413 1.00 25.00 O1- ATOM 554 OE2 GLU A 114 74.073 26.080 10.500 1.00 25.00 O1- ATOM 0 H GLU A 114 70.779 28.480 9.244 1.00 25.00 H new ATOM 0 HA GLU A 114 70.163 27.561 6.600 1.00 25.00 H new ATOM 0 HB2 GLU A 114 71.908 25.907 7.110 1.00 25.00 H new ATOM 0 HB3 GLU A 114 72.429 27.510 7.591 1.00 25.00 H new ATOM 0 HG2 GLU A 114 71.752 26.928 9.972 1.00 25.00 H new ATOM 0 HG3 GLU A 114 71.456 25.289 9.427 1.00 25.00 H new ATOM 561 N VAL A 115 68.985 25.362 6.824 1.00 25.00 N ATOM 562 CA VAL A 115 67.944 24.332 6.840 1.00 25.00 C ATOM 563 C VAL A 115 68.332 23.278 5.800 1.00 25.00 C ATOM 564 O VAL A 115 69.088 23.573 4.877 1.00 25.00 O ATOM 565 CB VAL A 115 66.533 24.972 6.512 1.00 25.00 C ATOM 566 CG1 VAL A 115 66.477 25.518 5.070 1.00 25.00 C ATOM 567 CG2 VAL A 115 65.382 23.977 6.749 1.00 25.00 C ATOM 0 H VAL A 115 69.465 25.447 5.928 1.00 25.00 H new ATOM 0 HA VAL A 115 67.864 23.872 7.825 1.00 25.00 H new ATOM 0 HB VAL A 115 66.404 25.808 7.200 1.00 25.00 H new ATOM 0 HG11 VAL A 115 65.494 25.949 4.882 1.00 25.00 H new ATOM 0 HG12 VAL A 115 67.240 26.285 4.942 1.00 25.00 H new ATOM 0 HG13 VAL A 115 66.657 24.706 4.366 1.00 25.00 H new ATOM 0 HG21 VAL A 115 64.432 24.456 6.512 1.00 25.00 H new ATOM 0 HG22 VAL A 115 65.518 23.105 6.110 1.00 25.00 H new ATOM 0 HG23 VAL A 115 65.380 23.665 7.793 1.00 25.00 H new ATOM 577 N THR A 116 67.825 22.062 5.930 1.00 25.00 N ATOM 578 CA THR A 116 68.091 21.011 4.952 1.00 25.00 C ATOM 579 C THR A 116 66.795 20.250 4.700 1.00 25.00 C ATOM 580 O THR A 116 65.942 20.161 5.586 1.00 25.00 O ATOM 581 CB THR A 116 69.234 20.066 5.426 1.00 25.00 C ATOM 582 OG1 THR A 116 69.551 19.130 4.394 1.00 25.00 O ATOM 583 CG2 THR A 116 68.857 19.287 6.684 1.00 25.00 C ATOM 0 H THR A 116 67.225 21.775 6.704 1.00 25.00 H new ATOM 0 HA THR A 116 68.435 21.457 4.019 1.00 25.00 H new ATOM 0 HB THR A 116 70.092 20.697 5.655 1.00 25.00 H new ATOM 0 HG1 THR A 116 69.376 19.536 3.519 1.00 25.00 H new ATOM 0 HG21 THR A 116 69.686 18.642 6.975 1.00 25.00 H new ATOM 0 HG22 THR A 116 68.639 19.985 7.492 1.00 25.00 H new ATOM 0 HG23 THR A 116 67.976 18.677 6.484 1.00 25.00 H new ATOM 591 N PHE A 117 66.629 19.767 3.479 1.00 25.00 N ATOM 592 CA PHE A 117 65.418 19.065 3.051 1.00 25.00 C ATOM 593 C PHE A 117 65.799 18.241 1.827 1.00 25.00 C ATOM 594 O PHE A 117 66.952 18.263 1.416 1.00 25.00 O ATOM 595 CB PHE A 117 64.300 20.066 2.715 1.00 25.00 C ATOM 596 CG PHE A 117 64.726 21.169 1.786 1.00 25.00 C ATOM 597 CD1 PHE A 117 64.649 21.005 0.390 1.00 25.00 C ATOM 598 CD2 PHE A 117 65.188 22.392 2.306 1.00 25.00 C ATOM 599 CE1 PHE A 117 65.025 22.056 -0.482 1.00 25.00 C ATOM 600 CE2 PHE A 117 65.565 23.444 1.449 1.00 25.00 C ATOM 601 CZ PHE A 117 65.484 23.276 0.051 1.00 25.00 C ATOM 0 H PHE A 117 67.334 19.849 2.747 1.00 25.00 H new ATOM 0 HA PHE A 117 65.037 18.423 3.845 1.00 25.00 H new ATOM 0 HB2 PHE A 117 63.467 19.527 2.264 1.00 25.00 H new ATOM 0 HB3 PHE A 117 63.931 20.507 3.641 1.00 25.00 H new ATOM 0 HD1 PHE A 117 64.300 20.069 -0.020 1.00 25.00 H new ATOM 0 HD2 PHE A 117 65.254 22.526 3.376 1.00 25.00 H new ATOM 0 HE1 PHE A 117 64.960 21.922 -1.552 1.00 25.00 H new ATOM 0 HE2 PHE A 117 65.916 24.378 1.862 1.00 25.00 H new ATOM 0 HZ PHE A 117 65.773 24.081 -0.609 1.00 25.00 H new ATOM 611 N SER A 118 64.849 17.533 1.234 1.00 25.00 N ATOM 612 CA SER A 118 65.120 16.744 0.034 1.00 25.00 C ATOM 613 C SER A 118 64.082 17.053 -1.033 1.00 25.00 C ATOM 614 O SER A 118 62.961 17.424 -0.712 1.00 25.00 O ATOM 615 CB SER A 118 65.102 15.251 0.363 1.00 25.00 C ATOM 616 OG SER A 118 66.069 14.939 1.355 1.00 25.00 O ATOM 0 H SER A 118 63.884 17.486 1.561 1.00 25.00 H new ATOM 0 HA SER A 118 66.109 17.006 -0.342 1.00 25.00 H new ATOM 0 HB2 SER A 118 64.110 14.964 0.713 1.00 25.00 H new ATOM 0 HB3 SER A 118 65.301 14.673 -0.539 1.00 25.00 H new ATOM 0 HG SER A 118 66.039 13.979 1.551 1.00 25.00 H new ATOM 622 N LEU A 119 64.469 16.909 -2.292 1.00 25.00 N ATOM 623 CA LEU A 119 63.588 17.188 -3.426 1.00 25.00 C ATOM 624 C LEU A 119 63.584 16.014 -4.383 1.00 25.00 C ATOM 625 O LEU A 119 64.608 15.355 -4.568 1.00 25.00 O ATOM 626 CB LEU A 119 64.073 18.420 -4.195 1.00 25.00 C ATOM 627 CG LEU A 119 63.995 19.777 -3.485 1.00 25.00 C ATOM 628 CD1 LEU A 119 64.632 20.824 -4.383 1.00 25.00 C ATOM 629 CD2 LEU A 119 62.553 20.168 -3.185 1.00 25.00 C ATOM 0 H LEU A 119 65.402 16.596 -2.560 1.00 25.00 H new ATOM 0 HA LEU A 119 62.586 17.364 -3.034 1.00 25.00 H new ATOM 0 HB2 LEU A 119 65.111 18.250 -4.481 1.00 25.00 H new ATOM 0 HB3 LEU A 119 63.495 18.490 -5.117 1.00 25.00 H new ATOM 0 HG LEU A 119 64.523 19.710 -2.534 1.00 25.00 H new ATOM 0 HD11 LEU A 119 64.587 21.798 -3.895 1.00 25.00 H new ATOM 0 HD12 LEU A 119 65.673 20.559 -4.569 1.00 25.00 H new ATOM 0 HD13 LEU A 119 64.094 20.867 -5.330 1.00 25.00 H new ATOM 0 HD21 LEU A 119 62.535 21.135 -2.682 1.00 25.00 H new ATOM 0 HD22 LEU A 119 61.992 20.234 -4.117 1.00 25.00 H new ATOM 0 HD23 LEU A 119 62.098 19.415 -2.541 1.00 25.00 H new ATOM 641 N GLN A 120 62.450 15.797 -5.029 1.00 25.00 N ATOM 642 CA GLN A 120 62.318 14.756 -6.045 1.00 25.00 C ATOM 643 C GLN A 120 62.367 15.451 -7.395 1.00 25.00 C ATOM 644 O GLN A 120 61.653 16.426 -7.621 1.00 25.00 O ATOM 645 CB GLN A 120 60.998 13.994 -5.890 1.00 25.00 C ATOM 646 CG GLN A 120 60.848 12.842 -6.885 1.00 25.00 C ATOM 647 CD GLN A 120 59.500 12.162 -6.790 1.00 25.00 C ATOM 648 OE1 GLN A 120 59.110 11.675 -5.745 1.00 25.00 O ATOM 649 NE2 GLN A 120 58.788 12.120 -7.888 1.00 25.00 N ATOM 0 H GLN A 120 61.597 16.332 -4.868 1.00 25.00 H new ATOM 0 HA GLN A 120 63.121 14.025 -5.945 1.00 25.00 H new ATOM 0 HB2 GLN A 120 60.930 13.601 -4.876 1.00 25.00 H new ATOM 0 HB3 GLN A 120 60.168 14.688 -6.020 1.00 25.00 H new ATOM 0 HG2 GLN A 120 60.989 13.221 -7.897 1.00 25.00 H new ATOM 0 HG3 GLN A 120 61.634 12.108 -6.707 1.00 25.00 H new ATOM 0 HE21 GLN A 120 59.148 12.539 -8.745 1.00 25.00 H new ATOM 0 HE22 GLN A 120 57.874 11.668 -7.886 1.00 25.00 H new ATOM 658 N VAL A 121 63.244 14.981 -8.267 1.00 25.00 N ATOM 659 CA VAL A 121 63.478 15.618 -9.562 1.00 25.00 C ATOM 660 C VAL A 121 63.637 14.565 -10.646 1.00 25.00 C ATOM 661 O VAL A 121 63.828 13.389 -10.354 1.00 25.00 O ATOM 662 CB VAL A 121 64.780 16.468 -9.518 1.00 25.00 C ATOM 663 CG1 VAL A 121 64.621 17.649 -8.571 1.00 25.00 C ATOM 664 CG2 VAL A 121 65.977 15.602 -9.067 1.00 25.00 C ATOM 0 H VAL A 121 63.814 14.151 -8.103 1.00 25.00 H new ATOM 0 HA VAL A 121 62.622 16.256 -9.782 1.00 25.00 H new ATOM 0 HB VAL A 121 64.969 16.844 -10.524 1.00 25.00 H new ATOM 0 HG11 VAL A 121 65.543 18.230 -8.556 1.00 25.00 H new ATOM 0 HG12 VAL A 121 63.800 18.280 -8.911 1.00 25.00 H new ATOM 0 HG13 VAL A 121 64.405 17.284 -7.567 1.00 25.00 H new ATOM 0 HG21 VAL A 121 66.879 16.213 -9.042 1.00 25.00 H new ATOM 0 HG22 VAL A 121 65.782 15.202 -8.072 1.00 25.00 H new ATOM 0 HG23 VAL A 121 66.115 14.779 -9.768 1.00 25.00 H new ATOM 674 N ASP A 122 63.587 14.989 -11.896 1.00 25.00 N ATOM 675 CA ASP A 122 63.889 14.104 -13.021 1.00 25.00 C ATOM 676 C ASP A 122 65.404 14.040 -13.191 1.00 25.00 C ATOM 677 O ASP A 122 66.125 14.901 -12.692 1.00 25.00 O ATOM 678 CB ASP A 122 63.256 14.635 -14.308 1.00 25.00 C ATOM 679 CG ASP A 122 63.562 13.750 -15.501 1.00 25.00 C ATOM 680 OD1 ASP A 122 63.322 12.532 -15.411 1.00 25.00 O1- ATOM 681 OD2 ASP A 122 64.218 14.238 -16.438 1.00 25.00 O1- ATOM 0 H ASP A 122 63.340 15.942 -12.164 1.00 25.00 H new ATOM 0 HA ASP A 122 63.483 13.112 -12.821 1.00 25.00 H new ATOM 0 HB2 ASP A 122 62.176 14.707 -14.178 1.00 25.00 H new ATOM 0 HB3 ASP A 122 63.621 15.643 -14.502 1.00 25.00 H new ATOM 686 N ALA A 123 65.885 13.044 -13.915 1.00 25.00 N ATOM 687 CA ALA A 123 67.308 12.926 -14.183 1.00 25.00 C ATOM 688 C ALA A 123 67.822 14.152 -14.959 1.00 25.00 C ATOM 689 O ALA A 123 68.888 14.691 -14.651 1.00 25.00 O ATOM 690 CB ALA A 123 67.578 11.640 -14.973 1.00 25.00 C ATOM 0 H ALA A 123 65.313 12.307 -14.327 1.00 25.00 H new ATOM 0 HA ALA A 123 67.842 12.882 -13.234 1.00 25.00 H new ATOM 0 HB1 ALA A 123 68.646 11.553 -15.173 1.00 25.00 H new ATOM 0 HB2 ALA A 123 67.247 10.780 -14.392 1.00 25.00 H new ATOM 0 HB3 ALA A 123 67.034 11.672 -15.917 1.00 25.00 H new ATOM 696 N ASP A 124 67.073 14.583 -15.965 1.00 25.00 N ATOM 697 CA ASP A 124 67.529 15.660 -16.845 1.00 25.00 C ATOM 698 C ASP A 124 66.970 17.025 -16.435 1.00 25.00 C ATOM 699 O ASP A 124 66.968 17.979 -17.207 1.00 25.00 O ATOM 700 CB ASP A 124 67.183 15.339 -18.304 1.00 25.00 C ATOM 701 CG ASP A 124 68.287 15.762 -19.277 1.00 25.00 C ATOM 702 OD1 ASP A 124 69.484 15.730 -18.885 1.00 25.00 O ATOM 703 OD2 ASP A 124 67.974 16.049 -20.448 1.00 25.00 O1- ATOM 0 H ASP A 124 66.152 14.209 -16.194 1.00 25.00 H new ATOM 0 HA ASP A 124 68.613 15.724 -16.746 1.00 25.00 H new ATOM 0 HB2 ASP A 124 67.006 14.268 -18.404 1.00 25.00 H new ATOM 0 HB3 ASP A 124 66.254 15.842 -18.573 1.00 25.00 H new ATOM 708 N PHE A 125 66.528 17.117 -15.188 1.00 25.00 N ATOM 709 CA PHE A 125 66.024 18.373 -14.630 1.00 25.00 C ATOM 710 C PHE A 125 67.138 19.425 -14.671 1.00 25.00 C ATOM 711 O PHE A 125 68.256 19.172 -14.207 1.00 25.00 O ATOM 712 CB PHE A 125 65.598 18.124 -13.187 1.00 25.00 C ATOM 713 CG PHE A 125 64.474 18.987 -12.710 1.00 25.00 C ATOM 714 CD1 PHE A 125 63.143 18.618 -12.971 1.00 25.00 C ATOM 715 CD2 PHE A 125 64.724 20.146 -11.954 1.00 25.00 C ATOM 716 CE1 PHE A 125 62.070 19.388 -12.478 1.00 25.00 C ATOM 717 CE2 PHE A 125 63.655 20.917 -11.449 1.00 25.00 C ATOM 718 CZ PHE A 125 62.327 20.537 -11.709 1.00 25.00 C ATOM 0 H PHE A 125 66.507 16.333 -14.536 1.00 25.00 H new ATOM 0 HA PHE A 125 65.173 18.733 -15.208 1.00 25.00 H new ATOM 0 HB2 PHE A 125 65.305 17.079 -13.084 1.00 25.00 H new ATOM 0 HB3 PHE A 125 66.459 18.279 -12.536 1.00 25.00 H new ATOM 0 HD1 PHE A 125 62.940 17.734 -13.557 1.00 25.00 H new ATOM 0 HD2 PHE A 125 65.742 20.449 -11.758 1.00 25.00 H new ATOM 0 HE1 PHE A 125 61.052 19.096 -12.691 1.00 25.00 H new ATOM 0 HE2 PHE A 125 63.858 21.800 -10.862 1.00 25.00 H new ATOM 0 HZ PHE A 125 61.508 21.124 -11.320 1.00 25.00 H new ATOM 728 N GLU A 126 66.851 20.587 -15.241 1.00 25.00 N ATOM 729 CA GLU A 126 67.865 21.639 -15.395 1.00 25.00 C ATOM 730 C GLU A 126 68.256 22.223 -14.054 1.00 25.00 C ATOM 731 O GLU A 126 67.436 22.314 -13.150 1.00 25.00 O ATOM 732 CB GLU A 126 67.341 22.802 -16.233 1.00 25.00 C ATOM 733 CG GLU A 126 67.620 22.700 -17.723 1.00 25.00 C ATOM 734 CD GLU A 126 67.399 24.038 -18.434 1.00 25.00 C ATOM 735 OE1 GLU A 126 67.161 25.050 -17.732 1.00 25.00 O ATOM 736 OE2 GLU A 126 67.498 24.090 -19.673 1.00 25.00 O1- ATOM 0 H GLU A 126 65.930 20.831 -15.605 1.00 25.00 H new ATOM 0 HA GLU A 126 68.718 21.164 -15.881 1.00 25.00 H new ATOM 0 HB2 GLU A 126 66.264 22.880 -16.085 1.00 25.00 H new ATOM 0 HB3 GLU A 126 67.781 23.726 -15.859 1.00 25.00 H new ATOM 0 HG2 GLU A 126 68.647 22.370 -17.879 1.00 25.00 H new ATOM 0 HG3 GLU A 126 66.972 21.942 -18.164 1.00 25.00 H new ATOM 743 N LEU A 127 69.478 22.723 -13.951 1.00 25.00 N ATOM 744 CA LEU A 127 69.917 23.405 -12.738 1.00 25.00 C ATOM 745 C LEU A 127 69.183 24.726 -12.554 1.00 25.00 C ATOM 746 O LEU A 127 69.023 25.207 -11.429 1.00 25.00 O ATOM 747 CB LEU A 127 71.426 23.645 -12.764 1.00 25.00 C ATOM 748 CG LEU A 127 72.257 22.732 -11.850 1.00 25.00 C ATOM 749 CD1 LEU A 127 71.907 22.963 -10.368 1.00 25.00 C ATOM 750 CD2 LEU A 127 72.063 21.268 -12.207 1.00 25.00 C ATOM 0 H LEU A 127 70.182 22.671 -14.687 1.00 25.00 H new ATOM 0 HA LEU A 127 69.680 22.758 -11.894 1.00 25.00 H new ATOM 0 HB2 LEU A 127 71.778 23.522 -13.788 1.00 25.00 H new ATOM 0 HB3 LEU A 127 71.616 24.681 -12.484 1.00 25.00 H new ATOM 0 HG LEU A 127 73.305 22.988 -12.005 1.00 25.00 H new ATOM 0 HD11 LEU A 127 72.510 22.303 -9.745 1.00 25.00 H new ATOM 0 HD12 LEU A 127 72.112 24.000 -10.103 1.00 25.00 H new ATOM 0 HD13 LEU A 127 70.851 22.749 -10.206 1.00 25.00 H new ATOM 0 HD21 LEU A 127 72.665 20.648 -11.542 1.00 25.00 H new ATOM 0 HD22 LEU A 127 71.011 21.003 -12.097 1.00 25.00 H new ATOM 0 HD23 LEU A 127 72.374 21.101 -13.238 1.00 25.00 H new ATOM 762 N HIS A 128 68.744 25.318 -13.655 1.00 25.00 N ATOM 763 CA HIS A 128 67.944 26.538 -13.614 1.00 25.00 C ATOM 764 C HIS A 128 66.602 26.236 -12.956 1.00 25.00 C ATOM 765 O HIS A 128 66.152 26.958 -12.073 1.00 25.00 O ATOM 766 CB HIS A 128 67.708 27.044 -15.037 1.00 25.00 C ATOM 767 CG HIS A 128 66.925 28.317 -15.102 1.00 25.00 C ATOM 768 ND1 HIS A 128 67.342 29.519 -14.583 1.00 25.00 N ATOM 769 CD2 HIS A 128 65.704 28.574 -15.650 1.00 25.00 C ATOM 770 CE1 HIS A 128 66.394 30.423 -14.819 1.00 25.00 C ATOM 771 NE2 HIS A 128 65.376 29.904 -15.470 1.00 25.00 N ATOM 0 H HIS A 128 68.929 24.971 -14.596 1.00 25.00 H new ATOM 0 HA HIS A 128 68.472 27.301 -13.042 1.00 25.00 H new ATOM 0 HB2 HIS A 128 68.672 27.196 -15.523 1.00 25.00 H new ATOM 0 HB3 HIS A 128 67.182 26.275 -15.604 1.00 25.00 H new ATOM 0 HD2 HIS A 128 65.084 27.845 -16.151 1.00 25.00 H new ATOM 0 HE1 HIS A 128 66.454 31.457 -14.513 1.00 25.00 H new ATOM 0 HE2 HIS A 128 64.528 30.380 -15.776 1.00 25.00 H new ATOM 779 N ASN A 129 65.993 25.135 -13.363 1.00 25.00 N ATOM 780 CA ASN A 129 64.715 24.716 -12.797 1.00 25.00 C ATOM 781 C ASN A 129 64.923 24.275 -11.344 1.00 25.00 C ATOM 782 O ASN A 129 64.152 24.604 -10.459 1.00 25.00 O ATOM 783 CB ASN A 129 64.146 23.566 -13.640 1.00 25.00 C ATOM 784 CG ASN A 129 62.657 23.383 -13.449 1.00 25.00 C ATOM 785 OD1 ASN A 129 62.086 23.817 -12.471 1.00 25.00 O ATOM 786 ND2 ASN A 129 62.025 22.757 -14.403 1.00 25.00 N ATOM 0 H ASN A 129 66.360 24.513 -14.083 1.00 25.00 H new ATOM 0 HA ASN A 129 64.007 25.544 -12.809 1.00 25.00 H new ATOM 0 HB2 ASN A 129 64.352 23.757 -14.693 1.00 25.00 H new ATOM 0 HB3 ASN A 129 64.658 22.640 -13.377 1.00 25.00 H new ATOM 0 HD21 ASN A 129 61.016 22.619 -14.341 1.00 25.00 H new ATOM 0 HD22 ASN A 129 62.539 22.406 -15.211 1.00 25.00 H new ATOM 793 N PHE A 130 66.009 23.558 -11.098 1.00 25.00 N ATOM 794 CA PHE A 130 66.310 23.040 -9.767 1.00 25.00 C ATOM 795 C PHE A 130 66.474 24.127 -8.715 1.00 25.00 C ATOM 796 O PHE A 130 65.972 23.995 -7.608 1.00 25.00 O ATOM 797 CB PHE A 130 67.584 22.202 -9.822 1.00 25.00 C ATOM 798 CG PHE A 130 67.877 21.473 -8.549 1.00 25.00 C ATOM 799 CD1 PHE A 130 67.001 20.477 -8.093 1.00 25.00 C ATOM 800 CD2 PHE A 130 69.029 21.769 -7.798 1.00 25.00 C ATOM 801 CE1 PHE A 130 67.280 19.754 -6.908 1.00 25.00 C ATOM 802 CE2 PHE A 130 69.314 21.058 -6.607 1.00 25.00 C ATOM 803 CZ PHE A 130 68.439 20.041 -6.170 1.00 25.00 C ATOM 0 H PHE A 130 66.703 23.319 -11.807 1.00 25.00 H new ATOM 0 HA PHE A 130 65.454 22.435 -9.469 1.00 25.00 H new ATOM 0 HB2 PHE A 130 67.499 21.479 -10.633 1.00 25.00 H new ATOM 0 HB3 PHE A 130 68.426 22.852 -10.061 1.00 25.00 H new ATOM 0 HD1 PHE A 130 66.103 20.259 -8.652 1.00 25.00 H new ATOM 0 HD2 PHE A 130 69.702 22.545 -8.133 1.00 25.00 H new ATOM 0 HE1 PHE A 130 66.602 18.983 -6.573 1.00 25.00 H new ATOM 0 HE2 PHE A 130 70.199 21.294 -6.035 1.00 25.00 H new ATOM 0 HZ PHE A 130 68.660 19.485 -5.271 1.00 25.00 H new ATOM 813 N ARG A 131 67.167 25.209 -9.044 1.00 25.00 N ATOM 814 CA ARG A 131 67.343 26.286 -8.064 1.00 25.00 C ATOM 815 C ARG A 131 66.028 27.021 -7.810 1.00 25.00 C ATOM 816 O ARG A 131 65.815 27.506 -6.714 1.00 25.00 O ATOM 817 CB ARG A 131 68.478 27.242 -8.458 1.00 25.00 C ATOM 818 CG ARG A 131 68.236 28.079 -9.708 1.00 25.00 C ATOM 819 CD ARG A 131 69.529 28.738 -10.177 1.00 25.00 C ATOM 820 NE ARG A 131 70.477 27.727 -10.685 1.00 25.00 N ATOM 821 CZ ARG A 131 71.758 27.941 -10.966 1.00 25.00 C ATOM 822 NH1 ARG A 131 72.321 29.116 -10.829 1.00 25.00 N1+ ATOM 823 NH2 ARG A 131 72.489 26.948 -11.384 1.00 25.00 N ATOM 0 H ARG A 131 67.606 25.368 -9.951 1.00 25.00 H new ATOM 0 HA ARG A 131 67.643 25.827 -7.122 1.00 25.00 H new ATOM 0 HB2 ARG A 131 68.666 27.917 -7.623 1.00 25.00 H new ATOM 0 HB3 ARG A 131 69.386 26.657 -8.606 1.00 25.00 H new ATOM 0 HG2 ARG A 131 67.835 27.448 -10.502 1.00 25.00 H new ATOM 0 HG3 ARG A 131 67.487 28.844 -9.500 1.00 25.00 H new ATOM 0 HD2 ARG A 131 69.310 29.464 -10.960 1.00 25.00 H new ATOM 0 HD3 ARG A 131 69.983 29.287 -9.352 1.00 25.00 H new ATOM 0 HE ARG A 131 70.118 26.784 -10.833 1.00 25.00 H new ATOM 0 HH11 ARG A 131 71.772 29.909 -10.496 1.00 25.00 H new ATOM 0 HH12 ARG A 131 73.308 29.238 -11.056 1.00 25.00 H new ATOM 0 HH21 ARG A 131 72.077 26.021 -11.492 1.00 25.00 H new ATOM 0 HH22 ARG A 131 73.474 27.097 -11.604 1.00 25.00 H new ATOM 837 N ALA A 132 65.131 27.047 -8.789 1.00 25.00 N ATOM 838 CA ALA A 132 63.808 27.643 -8.594 1.00 25.00 C ATOM 839 C ALA A 132 62.949 26.722 -7.708 1.00 25.00 C ATOM 840 O ALA A 132 62.225 27.182 -6.832 1.00 25.00 O ATOM 841 CB ALA A 132 63.128 27.871 -9.953 1.00 25.00 C ATOM 0 H ALA A 132 65.291 26.666 -9.721 1.00 25.00 H new ATOM 0 HA ALA A 132 63.917 28.607 -8.097 1.00 25.00 H new ATOM 0 HB1 ALA A 132 62.144 28.315 -9.798 1.00 25.00 H new ATOM 0 HB2 ALA A 132 63.738 28.543 -10.557 1.00 25.00 H new ATOM 0 HB3 ALA A 132 63.019 26.917 -10.470 1.00 25.00 H new ATOM 847 N LEU A 133 63.069 25.417 -7.919 1.00 25.00 N ATOM 848 CA LEU A 133 62.350 24.430 -7.110 1.00 25.00 C ATOM 849 C LEU A 133 62.831 24.516 -5.659 1.00 25.00 C ATOM 850 O LEU A 133 62.047 24.473 -4.719 1.00 25.00 O ATOM 851 CB LEU A 133 62.606 23.025 -7.680 1.00 25.00 C ATOM 852 CG LEU A 133 61.791 21.863 -7.092 1.00 25.00 C ATOM 853 CD1 LEU A 133 60.308 22.001 -7.421 1.00 25.00 C ATOM 854 CD2 LEU A 133 62.315 20.543 -7.659 1.00 25.00 C ATOM 0 H LEU A 133 63.659 25.012 -8.646 1.00 25.00 H new ATOM 0 HA LEU A 133 61.279 24.632 -7.137 1.00 25.00 H new ATOM 0 HB2 LEU A 133 62.419 23.058 -8.753 1.00 25.00 H new ATOM 0 HB3 LEU A 133 63.663 22.796 -7.548 1.00 25.00 H new ATOM 0 HG LEU A 133 61.902 21.881 -6.008 1.00 25.00 H new ATOM 0 HD11 LEU A 133 59.760 21.163 -6.990 1.00 25.00 H new ATOM 0 HD12 LEU A 133 59.928 22.934 -7.005 1.00 25.00 H new ATOM 0 HD13 LEU A 133 60.174 22.004 -8.503 1.00 25.00 H new ATOM 0 HD21 LEU A 133 61.740 19.715 -7.245 1.00 25.00 H new ATOM 0 HD22 LEU A 133 62.214 20.548 -8.744 1.00 25.00 H new ATOM 0 HD23 LEU A 133 63.365 20.424 -7.393 1.00 25.00 H new ATOM 866 N CYS A 134 64.134 24.697 -5.499 1.00 25.00 N ATOM 867 CA CYS A 134 64.744 24.878 -4.188 1.00 25.00 C ATOM 868 C CYS A 134 64.258 26.165 -3.524 1.00 25.00 C ATOM 869 O CYS A 134 63.971 26.179 -2.340 1.00 25.00 O ATOM 870 CB CYS A 134 66.263 24.934 -4.343 1.00 25.00 C ATOM 871 SG CYS A 134 67.129 25.237 -2.797 1.00 25.00 S ATOM 0 H CYS A 134 64.798 24.723 -6.273 1.00 25.00 H new ATOM 0 HA CYS A 134 64.457 24.037 -3.557 1.00 25.00 H new ATOM 0 HB2 CYS A 134 66.612 23.993 -4.768 1.00 25.00 H new ATOM 0 HB3 CYS A 134 66.519 25.719 -5.054 1.00 25.00 H new ATOM 0 HG CYS A 134 67.090 26.506 -2.519 1.00 25.00 H new ATOM 877 N GLU A 135 64.169 27.237 -4.294 1.00 25.00 N ATOM 878 CA GLU A 135 63.707 28.530 -3.789 1.00 25.00 C ATOM 879 C GLU A 135 62.274 28.422 -3.267 1.00 25.00 C ATOM 880 O GLU A 135 61.960 28.940 -2.192 1.00 25.00 O ATOM 881 CB GLU A 135 63.842 29.562 -4.921 1.00 25.00 C ATOM 882 CG GLU A 135 62.826 30.698 -4.977 1.00 25.00 C ATOM 883 CD GLU A 135 63.203 31.709 -6.058 1.00 25.00 C ATOM 884 OE1 GLU A 135 63.286 31.319 -7.242 1.00 25.00 O1- ATOM 885 OE2 GLU A 135 63.521 32.873 -5.712 1.00 25.00 O1- ATOM 0 H GLU A 135 64.413 27.241 -5.284 1.00 25.00 H new ATOM 0 HA GLU A 135 64.316 28.853 -2.945 1.00 25.00 H new ATOM 0 HB2 GLU A 135 64.835 30.005 -4.852 1.00 25.00 H new ATOM 0 HB3 GLU A 135 63.797 29.026 -5.869 1.00 25.00 H new ATOM 0 HG2 GLU A 135 61.834 30.295 -5.180 1.00 25.00 H new ATOM 0 HG3 GLU A 135 62.776 31.196 -4.009 1.00 25.00 H new ATOM 892 N LEU A 136 61.432 27.691 -3.986 1.00 25.00 N ATOM 893 CA LEU A 136 60.046 27.480 -3.574 1.00 25.00 C ATOM 894 C LEU A 136 59.979 26.705 -2.256 1.00 25.00 C ATOM 895 O LEU A 136 59.251 27.087 -1.345 1.00 25.00 O ATOM 896 CB LEU A 136 59.295 26.728 -4.693 1.00 25.00 C ATOM 897 CG LEU A 136 57.775 26.463 -4.595 1.00 25.00 C ATOM 898 CD1 LEU A 136 57.437 25.273 -3.688 1.00 25.00 C ATOM 899 CD2 LEU A 136 57.003 27.703 -4.133 1.00 25.00 C ATOM 0 H LEU A 136 61.684 27.232 -4.861 1.00 25.00 H new ATOM 0 HA LEU A 136 59.570 28.447 -3.408 1.00 25.00 H new ATOM 0 HB2 LEU A 136 59.463 27.281 -5.617 1.00 25.00 H new ATOM 0 HB3 LEU A 136 59.781 25.759 -4.808 1.00 25.00 H new ATOM 0 HG LEU A 136 57.459 26.213 -5.608 1.00 25.00 H new ATOM 0 HD11 LEU A 136 56.356 25.134 -3.657 1.00 25.00 H new ATOM 0 HD12 LEU A 136 57.907 24.371 -4.080 1.00 25.00 H new ATOM 0 HD13 LEU A 136 57.807 25.466 -2.681 1.00 25.00 H new ATOM 0 HD21 LEU A 136 55.940 27.470 -4.079 1.00 25.00 H new ATOM 0 HD22 LEU A 136 57.359 28.007 -3.149 1.00 25.00 H new ATOM 0 HD23 LEU A 136 57.161 28.515 -4.843 1.00 25.00 H new ATOM 911 N GLU A 137 60.729 25.617 -2.166 1.00 25.00 N ATOM 912 CA GLU A 137 60.701 24.757 -0.979 1.00 25.00 C ATOM 913 C GLU A 137 61.329 25.440 0.242 1.00 25.00 C ATOM 914 O GLU A 137 60.837 25.329 1.360 1.00 25.00 O ATOM 915 CB GLU A 137 61.461 23.459 -1.283 1.00 25.00 C ATOM 916 CG GLU A 137 61.242 22.333 -0.261 1.00 25.00 C ATOM 917 CD GLU A 137 59.858 21.689 -0.367 1.00 25.00 C ATOM 918 OE1 GLU A 137 59.293 21.641 -1.485 1.00 25.00 O1- ATOM 919 OE2 GLU A 137 59.353 21.196 0.666 1.00 25.00 O1- ATOM 0 H GLU A 137 61.367 25.304 -2.898 1.00 25.00 H new ATOM 0 HA GLU A 137 59.658 24.547 -0.740 1.00 25.00 H new ATOM 0 HB2 GLU A 137 61.161 23.101 -2.268 1.00 25.00 H new ATOM 0 HB3 GLU A 137 62.527 23.682 -1.335 1.00 25.00 H new ATOM 0 HG2 GLU A 137 62.005 21.567 -0.404 1.00 25.00 H new ATOM 0 HG3 GLU A 137 61.375 22.732 0.745 1.00 25.00 H new ATOM 926 N SER A 138 62.438 26.130 0.022 1.00 25.00 N ATOM 927 CA SER A 138 63.185 26.756 1.112 1.00 25.00 C ATOM 928 C SER A 138 62.625 28.117 1.512 1.00 25.00 C ATOM 929 O SER A 138 62.918 28.606 2.604 1.00 25.00 O ATOM 930 CB SER A 138 64.648 26.920 0.710 1.00 25.00 C ATOM 931 OG SER A 138 65.441 27.321 1.816 1.00 25.00 O ATOM 0 H SER A 138 62.844 26.273 -0.903 1.00 25.00 H new ATOM 0 HA SER A 138 63.092 26.096 1.974 1.00 25.00 H new ATOM 0 HB2 SER A 138 65.026 25.979 0.310 1.00 25.00 H new ATOM 0 HB3 SER A 138 64.729 27.660 -0.086 1.00 25.00 H new ATOM 0 HG SER A 138 66.327 26.907 1.750 1.00 25.00 H new ATOM 937 N GLY A 139 61.861 28.750 0.629 1.00 25.00 N ATOM 938 CA GLY A 139 61.280 30.048 0.939 1.00 25.00 C ATOM 939 C GLY A 139 62.300 31.171 0.934 1.00 25.00 C ATOM 940 O GLY A 139 62.159 32.151 1.667 1.00 25.00 O ATOM 0 H GLY A 139 61.632 28.389 -0.297 1.00 25.00 H new ATOM 0 HA2 GLY A 139 60.498 30.272 0.214 1.00 25.00 H new ATOM 0 HA3 GLY A 139 60.803 30.002 1.918 1.00 25.00 H new ATOM 944 N ILE A 140 63.338 31.031 0.120 1.00 25.00 N ATOM 945 CA ILE A 140 64.410 32.029 0.039 1.00 25.00 C ATOM 946 C ILE A 140 64.626 32.466 -1.412 1.00 25.00 C ATOM 947 O ILE A 140 64.569 31.643 -2.320 1.00 25.00 O ATOM 948 CB ILE A 140 65.764 31.483 0.621 1.00 25.00 C ATOM 949 CG1 ILE A 140 66.211 30.178 -0.082 1.00 25.00 C ATOM 950 CG2 ILE A 140 65.632 31.231 2.136 1.00 25.00 C ATOM 951 CD1 ILE A 140 67.295 30.365 -1.143 1.00 25.00 C ATOM 0 H ILE A 140 63.466 30.231 -0.500 1.00 25.00 H new ATOM 0 HA ILE A 140 64.097 32.883 0.640 1.00 25.00 H new ATOM 0 HB ILE A 140 66.524 32.243 0.438 1.00 25.00 H new ATOM 0 HG12 ILE A 140 66.576 29.481 0.673 1.00 25.00 H new ATOM 0 HG13 ILE A 140 65.341 29.716 -0.548 1.00 25.00 H new ATOM 0 HG21 ILE A 140 66.577 30.853 2.526 1.00 25.00 H new ATOM 0 HG22 ILE A 140 65.379 32.164 2.639 1.00 25.00 H new ATOM 0 HG23 ILE A 140 64.846 30.497 2.316 1.00 25.00 H new ATOM 0 HD11 ILE A 140 67.545 29.399 -1.582 1.00 25.00 H new ATOM 0 HD12 ILE A 140 66.930 31.034 -1.922 1.00 25.00 H new ATOM 0 HD13 ILE A 140 68.184 30.796 -0.683 1.00 25.00 H new ATOM 963 N PRO A 141 64.879 33.769 -1.651 1.00 25.00 N ATOM 964 CA PRO A 141 65.122 34.164 -3.045 1.00 25.00 C ATOM 965 C PRO A 141 66.367 33.520 -3.660 1.00 25.00 C ATOM 966 O PRO A 141 67.479 33.659 -3.130 1.00 25.00 O ATOM 967 CB PRO A 141 65.316 35.686 -2.945 1.00 25.00 C ATOM 968 CG PRO A 141 64.652 36.071 -1.678 1.00 25.00 C ATOM 969 CD PRO A 141 64.943 34.935 -0.751 1.00 25.00 C ATOM 0 HA PRO A 141 64.304 33.847 -3.692 1.00 25.00 H new ATOM 0 HB2 PRO A 141 66.374 35.950 -2.933 1.00 25.00 H new ATOM 0 HB3 PRO A 141 64.869 36.198 -3.797 1.00 25.00 H new ATOM 0 HG2 PRO A 141 65.046 37.011 -1.292 1.00 25.00 H new ATOM 0 HG3 PRO A 141 63.579 36.208 -1.816 1.00 25.00 H new ATOM 0 HD2 PRO A 141 65.922 35.033 -0.282 1.00 25.00 H new ATOM 0 HD3 PRO A 141 64.210 34.869 0.053 1.00 25.00 H new ATOM 977 N ALA A 142 66.195 32.863 -4.799 1.00 25.00 N ATOM 978 CA ALA A 142 67.314 32.267 -5.533 1.00 25.00 C ATOM 979 C ALA A 142 68.263 33.363 -6.026 1.00 25.00 C ATOM 980 O ALA A 142 69.456 33.134 -6.211 1.00 25.00 O ATOM 981 CB ALA A 142 66.789 31.448 -6.725 1.00 25.00 C ATOM 0 H ALA A 142 65.286 32.726 -5.241 1.00 25.00 H new ATOM 0 HA ALA A 142 67.860 31.603 -4.863 1.00 25.00 H new ATOM 0 HB1 ALA A 142 67.629 31.010 -7.263 1.00 25.00 H new ATOM 0 HB2 ALA A 142 66.137 30.654 -6.362 1.00 25.00 H new ATOM 0 HB3 ALA A 142 66.229 32.100 -7.395 1.00 25.00 H new ATOM 987 N ALA A 143 67.713 34.551 -6.243 1.00 25.00 N ATOM 988 CA ALA A 143 68.477 35.694 -6.741 1.00 25.00 C ATOM 989 C ALA A 143 69.568 36.143 -5.755 1.00 25.00 C ATOM 990 O ALA A 143 70.564 36.736 -6.150 1.00 25.00 O ATOM 991 CB ALA A 143 67.518 36.858 -7.025 1.00 25.00 C ATOM 0 H ALA A 143 66.726 34.752 -6.080 1.00 25.00 H new ATOM 0 HA ALA A 143 68.980 35.385 -7.657 1.00 25.00 H new ATOM 0 HB1 ALA A 143 68.083 37.713 -7.397 1.00 25.00 H new ATOM 0 HB2 ALA A 143 66.787 36.553 -7.774 1.00 25.00 H new ATOM 0 HB3 ALA A 143 67.001 37.136 -6.106 1.00 25.00 H new ATOM 997 N GLU A 144 69.366 35.860 -4.478 1.00 25.00 N ATOM 998 CA GLU A 144 70.301 36.264 -3.427 1.00 25.00 C ATOM 999 C GLU A 144 71.205 35.088 -3.050 1.00 25.00 C ATOM 1000 O GLU A 144 71.765 35.037 -1.944 1.00 25.00 O ATOM 1001 CB GLU A 144 69.514 36.724 -2.195 1.00 25.00 C ATOM 1002 CG GLU A 144 68.656 37.966 -2.437 1.00 25.00 C ATOM 1003 CD GLU A 144 67.869 38.394 -1.196 1.00 25.00 C ATOM 1004 OE1 GLU A 144 68.080 37.818 -0.104 1.00 25.00 O1- ATOM 1005 OE2 GLU A 144 67.021 39.298 -1.326 1.00 25.00 O1- ATOM 0 H GLU A 144 68.554 35.346 -4.136 1.00 25.00 H new ATOM 0 HA GLU A 144 70.920 37.084 -3.793 1.00 25.00 H new ATOM 0 HB2 GLU A 144 68.871 35.909 -1.862 1.00 25.00 H new ATOM 0 HB3 GLU A 144 70.214 36.930 -1.385 1.00 25.00 H new ATOM 0 HG2 GLU A 144 69.297 38.788 -2.757 1.00 25.00 H new ATOM 0 HG3 GLU A 144 67.960 37.768 -3.253 1.00 25.00 H new ATOM 1012 N SER A 145 71.294 34.102 -3.934 1.00 25.00 N ATOM 1013 CA SER A 145 71.969 32.852 -3.611 1.00 25.00 C ATOM 1014 C SER A 145 72.885 32.288 -4.691 1.00 25.00 C ATOM 1015 O SER A 145 72.762 32.590 -5.875 1.00 25.00 O ATOM 1016 CB SER A 145 70.900 31.811 -3.298 1.00 25.00 C ATOM 1017 OG SER A 145 71.448 30.762 -2.534 1.00 25.00 O ATOM 0 H SER A 145 70.908 34.144 -4.877 1.00 25.00 H new ATOM 0 HA SER A 145 72.623 33.078 -2.769 1.00 25.00 H new ATOM 0 HB2 SER A 145 70.078 32.276 -2.753 1.00 25.00 H new ATOM 0 HB3 SER A 145 70.485 31.416 -4.225 1.00 25.00 H new ATOM 0 HG SER A 145 71.264 30.918 -1.584 1.00 25.00 H new ATOM 1023 N GLN A 146 73.772 31.401 -4.260 1.00 25.00 N ATOM 1024 CA GLN A 146 74.628 30.631 -5.154 1.00 25.00 C ATOM 1025 C GLN A 146 74.447 29.167 -4.794 1.00 25.00 C ATOM 1026 O GLN A 146 74.078 28.845 -3.670 1.00 25.00 O ATOM 1027 CB GLN A 146 76.095 31.027 -5.004 1.00 25.00 C ATOM 1028 CG GLN A 146 76.386 32.445 -5.449 1.00 25.00 C ATOM 1029 CD GLN A 146 77.834 32.624 -5.820 1.00 25.00 C ATOM 1030 OE1 GLN A 146 78.690 32.820 -4.975 1.00 25.00 O ATOM 1031 NE2 GLN A 146 78.121 32.519 -7.092 1.00 25.00 N ATOM 0 H GLN A 146 73.919 31.194 -3.272 1.00 25.00 H new ATOM 0 HA GLN A 146 74.350 30.824 -6.190 1.00 25.00 H new ATOM 0 HB2 GLN A 146 76.389 30.915 -3.960 1.00 25.00 H new ATOM 0 HB3 GLN A 146 76.710 30.339 -5.584 1.00 25.00 H new ATOM 0 HG2 GLN A 146 75.757 32.695 -6.304 1.00 25.00 H new ATOM 0 HG3 GLN A 146 76.127 33.138 -4.649 1.00 25.00 H new ATOM 0 HE21 GLN A 146 77.377 32.355 -7.771 1.00 25.00 H new ATOM 0 HE22 GLN A 146 79.088 32.601 -7.405 1.00 25.00 H new ATOM 1040 N ILE A 147 74.685 28.282 -5.749 1.00 25.00 N ATOM 1041 CA ILE A 147 74.440 26.855 -5.550 1.00 25.00 C ATOM 1042 C ILE A 147 75.700 26.052 -5.927 1.00 25.00 C ATOM 1043 O ILE A 147 76.379 26.359 -6.916 1.00 25.00 O ATOM 1044 CB ILE A 147 73.147 26.437 -6.330 1.00 25.00 C ATOM 1045 CG1 ILE A 147 72.682 25.044 -5.884 1.00 25.00 C ATOM 1046 CG2 ILE A 147 73.352 26.539 -7.861 1.00 25.00 C ATOM 1047 CD1 ILE A 147 71.315 24.619 -6.454 1.00 25.00 C ATOM 0 H ILE A 147 75.048 28.523 -6.671 1.00 25.00 H new ATOM 0 HA ILE A 147 74.249 26.630 -4.501 1.00 25.00 H new ATOM 0 HB ILE A 147 72.349 27.138 -6.085 1.00 25.00 H new ATOM 0 HG12 ILE A 147 73.431 24.311 -6.183 1.00 25.00 H new ATOM 0 HG13 ILE A 147 72.631 25.022 -4.795 1.00 25.00 H new ATOM 0 HG21 ILE A 147 72.436 26.242 -8.371 1.00 25.00 H new ATOM 0 HG22 ILE A 147 73.599 27.567 -8.127 1.00 25.00 H new ATOM 0 HG23 ILE A 147 74.166 25.880 -8.164 1.00 25.00 H new ATOM 0 HD11 ILE A 147 71.062 23.623 -6.089 1.00 25.00 H new ATOM 0 HD12 ILE A 147 70.551 25.327 -6.134 1.00 25.00 H new ATOM 0 HD13 ILE A 147 71.363 24.605 -7.543 1.00 25.00 H new ATOM 1059 N VAL A 148 76.064 25.110 -5.064 1.00 25.00 N ATOM 1060 CA VAL A 148 77.343 24.391 -5.130 1.00 25.00 C ATOM 1061 C VAL A 148 77.139 22.879 -4.963 1.00 25.00 C ATOM 1062 O VAL A 148 76.380 22.439 -4.111 1.00 25.00 O ATOM 1063 CB VAL A 148 78.279 24.901 -3.968 1.00 25.00 C ATOM 1064 CG1 VAL A 148 79.640 24.195 -3.977 1.00 25.00 C ATOM 1065 CG2 VAL A 148 78.498 26.422 -4.079 1.00 25.00 C ATOM 0 H VAL A 148 75.474 24.816 -4.285 1.00 25.00 H new ATOM 0 HA VAL A 148 77.792 24.579 -6.105 1.00 25.00 H new ATOM 0 HB VAL A 148 77.777 24.667 -3.029 1.00 25.00 H new ATOM 0 HG11 VAL A 148 80.253 24.576 -3.160 1.00 25.00 H new ATOM 0 HG12 VAL A 148 79.494 23.122 -3.851 1.00 25.00 H new ATOM 0 HG13 VAL A 148 80.142 24.384 -4.926 1.00 25.00 H new ATOM 0 HG21 VAL A 148 79.146 26.756 -3.269 1.00 25.00 H new ATOM 0 HG22 VAL A 148 78.965 26.653 -5.036 1.00 25.00 H new ATOM 0 HG23 VAL A 148 77.538 26.934 -4.010 1.00 25.00 H new ATOM 1075 N TYR A 149 77.855 22.087 -5.746 1.00 25.00 N ATOM 1076 CA TYR A 149 77.826 20.626 -5.629 1.00 25.00 C ATOM 1077 C TYR A 149 79.261 20.135 -5.708 1.00 25.00 C ATOM 1078 O TYR A 149 80.037 20.647 -6.509 1.00 25.00 O ATOM 1079 CB TYR A 149 77.006 20.022 -6.766 1.00 25.00 C ATOM 1080 CG TYR A 149 77.322 18.572 -7.048 1.00 25.00 C ATOM 1081 CD1 TYR A 149 76.961 17.554 -6.140 1.00 25.00 C ATOM 1082 CD2 TYR A 149 77.989 18.206 -8.235 1.00 25.00 C ATOM 1083 CE1 TYR A 149 77.255 16.191 -6.425 1.00 25.00 C ATOM 1084 CE2 TYR A 149 78.278 16.849 -8.519 1.00 25.00 C ATOM 1085 CZ TYR A 149 77.904 15.854 -7.615 1.00 25.00 C ATOM 1086 OH TYR A 149 78.169 14.544 -7.909 1.00 25.00 O ATOM 0 H TYR A 149 78.473 22.432 -6.481 1.00 25.00 H new ATOM 0 HA TYR A 149 77.367 20.328 -4.687 1.00 25.00 H new ATOM 0 HB2 TYR A 149 75.947 20.112 -6.524 1.00 25.00 H new ATOM 0 HB3 TYR A 149 77.177 20.603 -7.672 1.00 25.00 H new ATOM 0 HD1 TYR A 149 76.457 17.812 -5.220 1.00 25.00 H new ATOM 0 HD2 TYR A 149 78.284 18.971 -8.938 1.00 25.00 H new ATOM 0 HE1 TYR A 149 76.977 15.419 -5.723 1.00 25.00 H new ATOM 0 HE2 TYR A 149 78.787 16.585 -9.434 1.00 25.00 H new ATOM 0 HH TYR A 149 78.624 14.489 -8.775 1.00 25.00 H new ATOM 1096 N ALA A 150 79.617 19.189 -4.844 1.00 25.00 N ATOM 1097 CA ALA A 150 80.977 18.637 -4.783 1.00 25.00 C ATOM 1098 C ALA A 150 82.039 19.753 -4.736 1.00 25.00 C ATOM 1099 O ALA A 150 83.035 19.698 -5.450 1.00 25.00 O ATOM 1100 CB ALA A 150 81.216 17.692 -5.982 1.00 25.00 C ATOM 0 H ALA A 150 78.975 18.780 -4.165 1.00 25.00 H new ATOM 0 HA ALA A 150 81.073 18.065 -3.860 1.00 25.00 H new ATOM 0 HB1 ALA A 150 82.226 17.287 -5.930 1.00 25.00 H new ATOM 0 HB2 ALA A 150 80.495 16.875 -5.951 1.00 25.00 H new ATOM 0 HB3 ALA A 150 81.095 18.247 -6.912 1.00 25.00 H new ATOM 1106 N GLU A 151 81.775 20.769 -3.916 1.00 25.00 N ATOM 1107 CA GLU A 151 82.644 21.955 -3.734 1.00 25.00 C ATOM 1108 C GLU A 151 82.882 22.812 -4.995 1.00 25.00 C ATOM 1109 O GLU A 151 83.741 23.690 -4.993 1.00 25.00 O ATOM 1110 CB GLU A 151 84.003 21.568 -3.138 1.00 25.00 C ATOM 1111 CG GLU A 151 83.936 20.787 -1.844 1.00 25.00 C ATOM 1112 CD GLU A 151 85.328 20.525 -1.295 1.00 25.00 C ATOM 1113 OE1 GLU A 151 86.170 19.974 -2.047 1.00 25.00 O ATOM 1114 OE2 GLU A 151 85.597 20.905 -0.137 1.00 25.00 O1- ATOM 0 H GLU A 151 80.933 20.801 -3.341 1.00 25.00 H new ATOM 0 HA GLU A 151 82.076 22.578 -3.043 1.00 25.00 H new ATOM 0 HB2 GLU A 151 84.550 20.978 -3.873 1.00 25.00 H new ATOM 0 HB3 GLU A 151 84.579 22.477 -2.966 1.00 25.00 H new ATOM 0 HG2 GLU A 151 83.350 21.341 -1.111 1.00 25.00 H new ATOM 0 HG3 GLU A 151 83.423 19.840 -2.012 1.00 25.00 H new ATOM 1121 N ARG A 152 82.102 22.604 -6.048 1.00 25.00 N ATOM 1122 CA ARG A 152 82.201 23.433 -7.255 1.00 25.00 C ATOM 1123 C ARG A 152 80.857 24.108 -7.529 1.00 25.00 C ATOM 1124 O ARG A 152 79.807 23.470 -7.427 1.00 25.00 O ATOM 1125 CB ARG A 152 82.615 22.571 -8.450 1.00 25.00 C ATOM 1126 CG ARG A 152 84.133 22.525 -8.670 1.00 25.00 C ATOM 1127 CD ARG A 152 84.657 21.096 -8.779 1.00 25.00 C ATOM 1128 NE ARG A 152 84.841 20.484 -7.452 1.00 25.00 N ATOM 1129 CZ ARG A 152 85.976 20.440 -6.762 1.00 25.00 C ATOM 1130 NH1 ARG A 152 87.098 20.948 -7.211 1.00 25.00 N1+ ATOM 1131 NH2 ARG A 152 85.978 19.872 -5.593 1.00 25.00 N ATOM 0 H ARG A 152 81.394 21.872 -6.096 1.00 25.00 H new ATOM 0 HA ARG A 152 82.958 24.202 -7.101 1.00 25.00 H new ATOM 0 HB2 ARG A 152 82.246 21.556 -8.302 1.00 25.00 H new ATOM 0 HB3 ARG A 152 82.136 22.956 -9.350 1.00 25.00 H new ATOM 0 HG2 ARG A 152 84.383 23.072 -9.579 1.00 25.00 H new ATOM 0 HG3 ARG A 152 84.633 23.032 -7.845 1.00 25.00 H new ATOM 0 HD2 ARG A 152 83.960 20.496 -9.364 1.00 25.00 H new ATOM 0 HD3 ARG A 152 85.606 21.096 -9.315 1.00 25.00 H new ATOM 0 HE ARG A 152 84.022 20.054 -7.023 1.00 25.00 H new ATOM 0 HH11 ARG A 152 87.123 21.400 -8.125 1.00 25.00 H new ATOM 0 HH12 ARG A 152 87.946 20.891 -6.646 1.00 25.00 H new ATOM 0 HH21 ARG A 152 85.118 19.470 -5.220 1.00 25.00 H new ATOM 0 HH22 ARG A 152 86.839 19.829 -5.049 1.00 25.00 H new ATOM 1145 N PRO A 153 80.861 25.415 -7.845 1.00 25.00 N ATOM 1146 CA PRO A 153 79.555 26.023 -8.110 1.00 25.00 C ATOM 1147 C PRO A 153 78.960 25.524 -9.417 1.00 25.00 C ATOM 1148 O PRO A 153 79.673 25.262 -10.384 1.00 25.00 O ATOM 1149 CB PRO A 153 79.875 27.518 -8.171 1.00 25.00 C ATOM 1150 CG PRO A 153 81.274 27.568 -8.656 1.00 25.00 C ATOM 1151 CD PRO A 153 81.949 26.401 -7.986 1.00 25.00 C ATOM 0 HA PRO A 153 78.809 25.777 -7.354 1.00 25.00 H new ATOM 0 HB2 PRO A 153 79.200 28.043 -8.847 1.00 25.00 H new ATOM 0 HB3 PRO A 153 79.775 27.987 -7.192 1.00 25.00 H new ATOM 0 HG2 PRO A 153 81.321 27.483 -9.742 1.00 25.00 H new ATOM 0 HG3 PRO A 153 81.753 28.510 -8.389 1.00 25.00 H new ATOM 0 HD2 PRO A 153 82.770 26.011 -8.588 1.00 25.00 H new ATOM 0 HD3 PRO A 153 82.367 26.679 -7.019 1.00 25.00 H new ATOM 1159 N LEU A 154 77.645 25.400 -9.443 1.00 25.00 N ATOM 1160 CA LEU A 154 76.941 24.924 -10.635 1.00 25.00 C ATOM 1161 C LEU A 154 76.588 26.138 -11.491 1.00 0.00 C ATOM 1162 O LEU A 154 75.447 26.617 -11.499 1.00 25.00 O ATOM 1163 CB LEU A 154 75.688 24.135 -10.248 1.00 25.00 C ATOM 1164 CG LEU A 154 75.943 22.912 -9.345 1.00 25.00 C ATOM 1165 CD1 LEU A 154 75.104 23.019 -8.084 1.00 25.00 C ATOM 1166 CD2 LEU A 154 75.618 21.625 -10.068 1.00 25.00 C ATOM 0 H LEU A 154 77.037 25.621 -8.655 1.00 25.00 H new ATOM 0 HA LEU A 154 77.579 24.246 -11.203 1.00 25.00 H new ATOM 0 HB2 LEU A 154 74.997 24.806 -9.739 1.00 25.00 H new ATOM 0 HB3 LEU A 154 75.193 23.799 -11.159 1.00 25.00 H new ATOM 0 HG LEU A 154 77.000 22.898 -9.080 1.00 25.00 H new ATOM 0 HD11 LEU A 154 75.288 22.152 -7.450 1.00 25.00 H new ATOM 0 HD12 LEU A 154 75.373 23.927 -7.544 1.00 25.00 H new ATOM 0 HD13 LEU A 154 74.048 23.055 -8.352 1.00 25.00 H new ATOM 0 HD21 LEU A 154 75.807 20.779 -9.407 1.00 25.00 H new ATOM 0 HD22 LEU A 154 74.569 21.628 -10.362 1.00 25.00 H new ATOM 0 HD23 LEU A 154 76.244 21.539 -10.956 1.00 25.00 H new ATOM 1178 N THR A 155 77.606 26.688 -12.136 1.00 25.00 N ATOM 1179 CA THR A 155 77.469 27.923 -12.903 1.00 25.00 C ATOM 1180 C THR A 155 76.625 27.744 -14.151 1.00 25.00 C ATOM 1181 O THR A 155 75.896 28.650 -14.545 1.00 25.00 O ATOM 1182 CB THR A 155 78.854 28.428 -13.357 1.00 25.00 C ATOM 1183 OG1 THR A 155 79.562 27.360 -13.998 1.00 25.00 O ATOM 1184 CG2 THR A 155 79.682 28.879 -12.163 1.00 25.00 C ATOM 0 H THR A 155 78.547 26.295 -12.144 1.00 25.00 H new ATOM 0 HA THR A 155 76.981 28.637 -12.239 1.00 25.00 H new ATOM 0 HB THR A 155 78.702 29.265 -14.038 1.00 25.00 H new ATOM 0 HG1 THR A 155 79.195 27.216 -14.895 1.00 25.00 H new ATOM 0 HG21 THR A 155 80.655 29.231 -12.507 1.00 25.00 H new ATOM 0 HG22 THR A 155 79.165 29.688 -11.646 1.00 25.00 H new ATOM 0 HG23 THR A 155 79.820 28.042 -11.479 1.00 25.00 H new ATOM 1192 N ASP A 156 76.731 26.584 -14.777 1.00 25.00 N ATOM 1193 CA ASP A 156 76.037 26.346 -16.037 1.00 25.00 C ATOM 1194 C ASP A 156 74.626 25.885 -15.698 1.00 25.00 C ATOM 1195 O ASP A 156 74.374 24.704 -15.452 1.00 25.00 O ATOM 1196 CB ASP A 156 76.749 25.297 -16.904 1.00 25.00 C ATOM 1197 CG ASP A 156 78.169 25.699 -17.306 1.00 25.00 C ATOM 1198 OD1 ASP A 156 78.725 26.692 -16.779 1.00 25.00 O1- ATOM 1199 OD2 ASP A 156 78.754 24.949 -18.116 1.00 25.00 O1- ATOM 0 H ASP A 156 77.285 25.797 -14.439 1.00 25.00 H new ATOM 0 HA ASP A 156 76.023 27.266 -16.621 1.00 25.00 H new ATOM 0 HB2 ASP A 156 76.787 24.353 -16.360 1.00 25.00 H new ATOM 0 HB3 ASP A 156 76.161 25.122 -17.805 1.00 25.00 H new ATOM 1204 N ASN A 157 73.716 26.842 -15.625 1.00 25.00 N ATOM 1205 CA ASN A 157 72.338 26.590 -15.212 1.00 25.00 C ATOM 1206 C ASN A 157 71.560 25.753 -16.221 1.00 25.00 C ATOM 1207 O ASN A 157 70.588 25.102 -15.864 1.00 25.00 O ATOM 1208 CB ASN A 157 71.613 27.928 -15.009 1.00 25.00 C ATOM 1209 CG ASN A 157 71.497 28.722 -16.295 1.00 25.00 C ATOM 1210 OD1 ASN A 157 72.497 29.129 -16.864 1.00 25.00 O ATOM 1211 ND2 ASN A 157 70.299 28.929 -16.758 1.00 25.00 N ATOM 0 H ASN A 157 73.908 27.818 -15.850 1.00 25.00 H new ATOM 0 HA ASN A 157 72.383 26.023 -14.282 1.00 25.00 H new ATOM 0 HB2 ASN A 157 70.616 27.741 -14.609 1.00 25.00 H new ATOM 0 HB3 ASN A 157 72.149 28.520 -14.267 1.00 25.00 H new ATOM 0 HD21 ASN A 157 70.171 29.448 -17.627 1.00 25.00 H new ATOM 0 HD22 ASN A 157 69.488 28.572 -16.252 1.00 25.00 H new ATOM 1218 N HIS A 158 71.986 25.782 -17.474 1.00 25.00 N ATOM 1219 CA HIS A 158 71.296 25.060 -18.542 1.00 25.00 C ATOM 1220 C HIS A 158 71.673 23.578 -18.577 1.00 25.00 C ATOM 1221 O HIS A 158 71.128 22.810 -19.353 1.00 25.00 O ATOM 1222 CB HIS A 158 71.628 25.704 -19.889 1.00 25.00 C ATOM 1223 CG HIS A 158 71.297 27.164 -19.946 1.00 25.00 C ATOM 1224 ND1 HIS A 158 72.231 28.167 -20.035 1.00 25.00 N ATOM 1225 CD2 HIS A 158 70.093 27.801 -19.922 1.00 25.00 C ATOM 1226 CE1 HIS A 158 71.589 29.331 -20.054 1.00 25.00 C ATOM 1227 NE2 HIS A 158 70.284 29.170 -19.981 1.00 25.00 N ATOM 0 H HIS A 158 72.810 26.299 -17.782 1.00 25.00 H new ATOM 0 HA HIS A 158 70.226 25.122 -18.344 1.00 25.00 H new ATOM 0 HB2 HIS A 158 72.690 25.571 -20.095 1.00 25.00 H new ATOM 0 HB3 HIS A 158 71.083 25.184 -20.677 1.00 25.00 H new ATOM 0 HD2 HIS A 158 69.133 27.310 -19.865 1.00 25.00 H new ATOM 0 HE1 HIS A 158 72.078 30.292 -20.121 1.00 25.00 H new ATOM 0 HE2 HIS A 158 69.569 29.897 -19.970 1.00 25.00 H new ATOM 1235 N ARG A 159 72.620 23.172 -17.742 1.00 25.00 N ATOM 1236 CA ARG A 159 72.993 21.759 -17.673 1.00 25.00 C ATOM 1237 C ARG A 159 72.096 21.092 -16.654 1.00 25.00 C ATOM 1238 O ARG A 159 71.671 21.723 -15.687 1.00 25.00 O ATOM 1239 CB ARG A 159 74.456 21.588 -17.273 1.00 25.00 C ATOM 1240 CG ARG A 159 75.425 22.042 -18.350 1.00 25.00 C ATOM 1241 CD ARG A 159 76.865 21.802 -17.927 1.00 25.00 C ATOM 1242 NE ARG A 159 77.191 20.367 -17.864 1.00 25.00 N ATOM 1243 CZ ARG A 159 78.386 19.873 -17.562 1.00 25.00 C ATOM 1244 NH1 ARG A 159 79.412 20.647 -17.302 1.00 25.00 N1+ ATOM 1245 NH2 ARG A 159 78.554 18.583 -17.519 1.00 25.00 N ATOM 0 H ARG A 159 73.138 23.785 -17.112 1.00 25.00 H new ATOM 0 HA ARG A 159 72.871 21.303 -18.655 1.00 25.00 H new ATOM 0 HB2 ARG A 159 74.645 22.153 -16.361 1.00 25.00 H new ATOM 0 HB3 ARG A 159 74.643 20.539 -17.043 1.00 25.00 H new ATOM 0 HG2 ARG A 159 75.221 21.506 -19.277 1.00 25.00 H new ATOM 0 HG3 ARG A 159 75.275 23.102 -18.555 1.00 25.00 H new ATOM 0 HD2 ARG A 159 77.536 22.295 -18.630 1.00 25.00 H new ATOM 0 HD3 ARG A 159 77.036 22.256 -16.951 1.00 25.00 H new ATOM 0 HE ARG A 159 76.443 19.704 -18.067 1.00 25.00 H new ATOM 0 HH11 ARG A 159 79.305 21.661 -17.328 1.00 25.00 H new ATOM 0 HH12 ARG A 159 80.317 20.235 -17.073 1.00 25.00 H new ATOM 0 HH21 ARG A 159 77.771 17.960 -17.716 1.00 25.00 H new ATOM 0 HH22 ARG A 159 79.469 18.195 -17.288 1.00 25.00 H new ATOM 1259 N SER A 160 71.807 19.825 -16.876 1.00 25.00 N ATOM 1260 CA SER A 160 70.938 19.076 -15.988 1.00 25.00 C ATOM 1261 C SER A 160 71.691 18.456 -14.825 1.00 25.00 C ATOM 1262 O SER A 160 72.918 18.393 -14.825 1.00 25.00 O ATOM 1263 CB SER A 160 70.251 17.977 -16.773 1.00 25.00 C ATOM 1264 OG SER A 160 71.190 17.056 -17.303 1.00 25.00 O ATOM 0 H SER A 160 72.163 19.290 -17.668 1.00 25.00 H new ATOM 0 HA SER A 160 70.211 19.776 -15.576 1.00 25.00 H new ATOM 0 HB2 SER A 160 69.548 17.451 -16.127 1.00 25.00 H new ATOM 0 HB3 SER A 160 69.671 18.416 -17.585 1.00 25.00 H new ATOM 0 HG SER A 160 70.804 16.608 -18.084 1.00 25.00 H new ATOM 1270 N LEU A 161 70.951 17.974 -13.841 1.00 25.00 N ATOM 1271 CA LEU A 161 71.539 17.338 -12.663 1.00 25.00 C ATOM 1272 C LEU A 161 72.315 16.066 -13.038 1.00 25.00 C ATOM 1273 O LEU A 161 73.441 15.849 -12.559 1.00 25.00 O ATOM 1274 CB LEU A 161 70.420 17.023 -11.666 1.00 25.00 C ATOM 1275 CG LEU A 161 69.777 18.279 -11.048 1.00 25.00 C ATOM 1276 CD1 LEU A 161 68.420 17.952 -10.497 1.00 25.00 C ATOM 1277 CD2 LEU A 161 70.647 18.866 -9.928 1.00 25.00 C ATOM 0 H LEU A 161 69.932 18.009 -13.831 1.00 25.00 H new ATOM 0 HA LEU A 161 72.256 18.021 -12.208 1.00 25.00 H new ATOM 0 HB2 LEU A 161 69.649 16.440 -12.170 1.00 25.00 H new ATOM 0 HB3 LEU A 161 70.821 16.399 -10.867 1.00 25.00 H new ATOM 0 HG LEU A 161 69.686 19.021 -11.841 1.00 25.00 H new ATOM 0 HD11 LEU A 161 67.978 18.849 -10.063 1.00 25.00 H new ATOM 0 HD12 LEU A 161 67.781 17.583 -11.299 1.00 25.00 H new ATOM 0 HD13 LEU A 161 68.515 17.186 -9.727 1.00 25.00 H new ATOM 0 HD21 LEU A 161 70.162 19.751 -9.516 1.00 25.00 H new ATOM 0 HD22 LEU A 161 70.777 18.123 -9.141 1.00 25.00 H new ATOM 0 HD23 LEU A 161 71.622 19.142 -10.331 1.00 25.00 H new ATOM 1289 N ALA A 162 71.768 15.265 -13.947 1.00 25.00 N ATOM 1290 CA ALA A 162 72.463 14.070 -14.427 1.00 25.00 C ATOM 1291 C ALA A 162 73.762 14.444 -15.144 1.00 25.00 C ATOM 1292 O ALA A 162 74.739 13.707 -15.088 1.00 25.00 O ATOM 1293 CB ALA A 162 71.561 13.263 -15.363 1.00 25.00 C ATOM 0 H ALA A 162 70.851 15.418 -14.366 1.00 25.00 H new ATOM 0 HA ALA A 162 72.711 13.456 -13.561 1.00 25.00 H new ATOM 0 HB1 ALA A 162 72.095 12.378 -15.710 1.00 25.00 H new ATOM 0 HB2 ALA A 162 70.662 12.958 -14.828 1.00 25.00 H new ATOM 0 HB3 ALA A 162 71.283 13.877 -16.219 1.00 25.00 H new ATOM 1299 N SER A 163 73.793 15.614 -15.770 1.00 25.00 N ATOM 1300 CA SER A 163 75.004 16.080 -16.450 1.00 25.00 C ATOM 1301 C SER A 163 76.118 16.410 -15.457 1.00 25.00 C ATOM 1302 O SER A 163 77.283 16.484 -15.842 1.00 25.00 O ATOM 1303 CB SER A 163 74.720 17.321 -17.300 1.00 25.00 C ATOM 1304 OG SER A 163 73.776 17.049 -18.319 1.00 25.00 O ATOM 0 H SER A 163 73.002 16.256 -15.823 1.00 25.00 H new ATOM 0 HA SER A 163 75.331 15.263 -17.094 1.00 25.00 H new ATOM 0 HB2 SER A 163 74.347 18.122 -16.662 1.00 25.00 H new ATOM 0 HB3 SER A 163 75.648 17.676 -17.748 1.00 25.00 H new ATOM 0 HG SER A 163 72.872 17.071 -17.942 1.00 25.00 H new ATOM 1310 N TYR A 164 75.771 16.597 -14.189 1.00 25.00 N ATOM 1311 CA TYR A 164 76.770 16.836 -13.144 1.00 25.00 C ATOM 1312 C TYR A 164 77.005 15.559 -12.336 1.00 25.00 C ATOM 1313 O TYR A 164 77.868 15.516 -11.465 1.00 25.00 O ATOM 1314 CB TYR A 164 76.307 17.945 -12.209 1.00 25.00 C ATOM 1315 CG TYR A 164 76.377 19.326 -12.809 1.00 25.00 C ATOM 1316 CD1 TYR A 164 77.609 20.002 -12.915 1.00 25.00 C ATOM 1317 CD2 TYR A 164 75.214 19.982 -13.247 1.00 25.00 C ATOM 1318 CE1 TYR A 164 77.671 21.320 -13.436 1.00 25.00 C ATOM 1319 CE2 TYR A 164 75.272 21.301 -13.766 1.00 25.00 C ATOM 1320 CZ TYR A 164 76.497 21.958 -13.843 1.00 25.00 C ATOM 1321 OH TYR A 164 76.552 23.239 -14.310 1.00 25.00 O ATOM 0 H TYR A 164 74.807 16.588 -13.856 1.00 25.00 H new ATOM 0 HA TYR A 164 77.701 17.138 -13.624 1.00 25.00 H new ATOM 0 HB2 TYR A 164 75.280 17.744 -11.906 1.00 25.00 H new ATOM 0 HB3 TYR A 164 76.916 17.922 -11.306 1.00 25.00 H new ATOM 0 HD1 TYR A 164 78.516 19.511 -12.596 1.00 25.00 H new ATOM 0 HD2 TYR A 164 74.262 19.475 -13.188 1.00 25.00 H new ATOM 0 HE1 TYR A 164 78.621 21.827 -13.518 1.00 25.00 H new ATOM 0 HE2 TYR A 164 74.370 21.793 -14.100 1.00 25.00 H new ATOM 0 HH TYR A 164 75.679 23.491 -14.678 1.00 25.00 H new ATOM 1331 N GLY A 165 76.231 14.523 -12.627 1.00 25.00 N ATOM 1332 CA GLY A 165 76.354 13.265 -11.913 1.00 25.00 C ATOM 1333 C GLY A 165 75.614 13.227 -10.588 1.00 25.00 C ATOM 1334 O GLY A 165 75.984 12.449 -9.703 1.00 25.00 O ATOM 0 H GLY A 165 75.513 14.531 -13.352 1.00 25.00 H new ATOM 0 HA2 GLY A 165 75.981 12.462 -12.548 1.00 25.00 H new ATOM 0 HA3 GLY A 165 77.410 13.064 -11.733 1.00 25.00 H new ATOM 1338 N LEU A 166 74.572 14.036 -10.429 1.00 25.00 N ATOM 1339 CA LEU A 166 73.807 14.024 -9.179 1.00 25.00 C ATOM 1340 C LEU A 166 72.967 12.750 -9.057 1.00 25.00 C ATOM 1341 O LEU A 166 71.797 12.716 -9.412 1.00 25.00 O ATOM 1342 CB LEU A 166 72.892 15.251 -9.072 1.00 25.00 C ATOM 1343 CG LEU A 166 73.421 16.513 -8.378 1.00 25.00 C ATOM 1344 CD1 LEU A 166 73.783 16.230 -6.924 1.00 25.00 C ATOM 1345 CD2 LEU A 166 74.593 17.119 -9.104 1.00 25.00 C ATOM 0 H LEU A 166 74.240 14.697 -11.131 1.00 25.00 H new ATOM 0 HA LEU A 166 74.529 14.052 -8.363 1.00 25.00 H new ATOM 0 HB2 LEU A 166 72.596 15.531 -10.083 1.00 25.00 H new ATOM 0 HB3 LEU A 166 71.987 14.942 -8.549 1.00 25.00 H new ATOM 0 HG LEU A 166 72.612 17.243 -8.401 1.00 25.00 H new ATOM 0 HD11 LEU A 166 74.155 17.142 -6.457 1.00 25.00 H new ATOM 0 HD12 LEU A 166 72.898 15.884 -6.390 1.00 25.00 H new ATOM 0 HD13 LEU A 166 74.555 15.461 -6.884 1.00 25.00 H new ATOM 0 HD21 LEU A 166 74.930 18.009 -8.572 1.00 25.00 H new ATOM 0 HD22 LEU A 166 75.406 16.395 -9.150 1.00 25.00 H new ATOM 0 HD23 LEU A 166 74.293 17.392 -10.115 1.00 25.00 H new ATOM 1357 N LYS A 167 73.600 11.701 -8.563 1.00 25.00 N ATOM 1358 CA LYS A 167 72.932 10.420 -8.311 1.00 25.00 C ATOM 1359 C LYS A 167 71.906 10.531 -7.179 1.00 25.00 C ATOM 1360 O LYS A 167 72.042 11.352 -6.273 1.00 25.00 O ATOM 1361 CB LYS A 167 73.976 9.360 -7.932 1.00 25.00 C ATOM 1362 CG LYS A 167 74.996 9.858 -6.897 1.00 25.00 C ATOM 1363 CD LYS A 167 75.694 8.729 -6.138 1.00 25.00 C ATOM 1364 CE LYS A 167 74.813 8.149 -5.020 1.00 25.00 C ATOM 1365 NZ LYS A 167 74.428 9.194 -4.001 1.00 25.00 N1+ ATOM 0 H LYS A 167 74.591 11.705 -8.323 1.00 25.00 H new ATOM 0 HA LYS A 167 72.410 10.133 -9.224 1.00 25.00 H new ATOM 0 HB2 LYS A 167 73.466 8.482 -7.536 1.00 25.00 H new ATOM 0 HB3 LYS A 167 74.505 9.043 -8.831 1.00 25.00 H new ATOM 0 HG2 LYS A 167 75.748 10.465 -7.402 1.00 25.00 H new ATOM 0 HG3 LYS A 167 74.490 10.507 -6.182 1.00 25.00 H new ATOM 0 HD2 LYS A 167 75.961 7.936 -6.836 1.00 25.00 H new ATOM 0 HD3 LYS A 167 76.624 9.103 -5.709 1.00 25.00 H new ATOM 0 HE2 LYS A 167 73.911 7.719 -5.456 1.00 25.00 H new ATOM 0 HE3 LYS A 167 75.345 7.338 -4.523 1.00 25.00 H new ATOM 0 HZ1 LYS A 167 74.661 8.851 -3.047 1.00 25.00 H new ATOM 0 HZ2 LYS A 167 74.951 10.073 -4.190 1.00 25.00 H new ATOM 0 HZ3 LYS A 167 73.406 9.379 -4.063 1.00 25.00 H new ATOM 1379 N ASP A 168 70.934 9.633 -7.188 1.00 25.00 N ATOM 1380 CA ASP A 168 69.966 9.540 -6.102 1.00 25.00 C ATOM 1381 C ASP A 168 70.697 9.412 -4.769 1.00 25.00 C ATOM 1382 O ASP A 168 71.637 8.619 -4.628 1.00 25.00 O ATOM 1383 CB ASP A 168 69.072 8.319 -6.313 1.00 25.00 C ATOM 1384 CG ASP A 168 67.943 8.247 -5.309 1.00 25.00 C ATOM 1385 OD1 ASP A 168 68.173 7.802 -4.169 1.00 25.00 O ATOM 1386 OD2 ASP A 168 66.817 8.633 -5.672 1.00 25.00 O1- ATOM 0 H ASP A 168 70.793 8.955 -7.937 1.00 25.00 H new ATOM 0 HA ASP A 168 69.352 10.441 -6.092 1.00 25.00 H new ATOM 0 HB2 ASP A 168 68.657 8.347 -7.320 1.00 25.00 H new ATOM 0 HB3 ASP A 168 69.676 7.414 -6.242 1.00 25.00 H new ATOM 1391 N GLY A 169 70.305 10.238 -3.814 1.00 25.00 N ATOM 1392 CA GLY A 169 70.904 10.220 -2.495 1.00 25.00 C ATOM 1393 C GLY A 169 72.075 11.169 -2.341 1.00 25.00 C ATOM 1394 O GLY A 169 72.662 11.238 -1.267 1.00 25.00 O ATOM 0 H GLY A 169 69.568 10.934 -3.931 1.00 25.00 H new ATOM 0 HA2 GLY A 169 70.143 10.474 -1.757 1.00 25.00 H new ATOM 0 HA3 GLY A 169 71.238 9.207 -2.272 1.00 25.00 H new ATOM 1398 N ASP A 170 72.441 11.893 -3.391 1.00 25.00 N ATOM 1399 CA ASP A 170 73.519 12.880 -3.269 1.00 25.00 C ATOM 1400 C ASP A 170 72.981 14.196 -2.701 1.00 25.00 C ATOM 1401 O ASP A 170 71.774 14.334 -2.473 1.00 25.00 O ATOM 1402 CB ASP A 170 74.193 13.113 -4.610 1.00 25.00 C ATOM 1403 CG ASP A 170 75.695 13.194 -4.482 1.00 25.00 C ATOM 1404 OD1 ASP A 170 76.188 14.071 -3.741 1.00 25.00 O ATOM 1405 OD2 ASP A 170 76.381 12.308 -5.033 1.00 25.00 O1- ATOM 0 H ASP A 170 72.022 11.823 -4.318 1.00 25.00 H new ATOM 0 HA ASP A 170 74.265 12.486 -2.579 1.00 25.00 H new ATOM 0 HB2 ASP A 170 73.930 12.305 -5.293 1.00 25.00 H new ATOM 0 HB3 ASP A 170 73.816 14.037 -5.049 1.00 25.00 H new ATOM 1410 N VAL A 171 73.870 15.145 -2.436 1.00 25.00 N ATOM 1411 CA VAL A 171 73.492 16.392 -1.767 1.00 25.00 C ATOM 1412 C VAL A 171 74.061 17.644 -2.452 1.00 25.00 C ATOM 1413 O VAL A 171 75.211 17.677 -2.905 1.00 25.00 O ATOM 1414 CB VAL A 171 73.899 16.329 -0.248 1.00 25.00 C ATOM 1415 CG1 VAL A 171 75.384 16.012 -0.090 1.00 25.00 C ATOM 1416 CG2 VAL A 171 73.541 17.631 0.505 1.00 25.00 C ATOM 0 H VAL A 171 74.860 15.079 -2.673 1.00 25.00 H new ATOM 0 HA VAL A 171 72.409 16.485 -1.843 1.00 25.00 H new ATOM 0 HB VAL A 171 73.321 15.521 0.201 1.00 25.00 H new ATOM 0 HG11 VAL A 171 75.637 15.975 0.969 1.00 25.00 H new ATOM 0 HG12 VAL A 171 75.601 15.048 -0.549 1.00 25.00 H new ATOM 0 HG13 VAL A 171 75.975 16.787 -0.577 1.00 25.00 H new ATOM 0 HG21 VAL A 171 73.840 17.541 1.549 1.00 25.00 H new ATOM 0 HG22 VAL A 171 74.064 18.471 0.048 1.00 25.00 H new ATOM 0 HG23 VAL A 171 72.466 17.800 0.449 1.00 25.00 H new ATOM 1426 N VAL A 172 73.233 18.677 -2.521 1.00 25.00 N ATOM 1427 CA VAL A 172 73.601 19.959 -3.111 1.00 25.00 C ATOM 1428 C VAL A 172 73.601 20.999 -1.992 1.00 25.00 C ATOM 1429 O VAL A 172 72.718 20.993 -1.139 1.00 25.00 O ATOM 1430 CB VAL A 172 72.584 20.370 -4.215 1.00 25.00 C ATOM 1431 CG1 VAL A 172 73.051 21.633 -4.930 1.00 25.00 C ATOM 1432 CG2 VAL A 172 72.416 19.238 -5.237 1.00 25.00 C ATOM 0 H VAL A 172 72.277 18.650 -2.166 1.00 25.00 H new ATOM 0 HA VAL A 172 74.585 19.888 -3.575 1.00 25.00 H new ATOM 0 HB VAL A 172 71.625 20.566 -3.735 1.00 25.00 H new ATOM 0 HG11 VAL A 172 72.327 21.905 -5.698 1.00 25.00 H new ATOM 0 HG12 VAL A 172 73.139 22.447 -4.210 1.00 25.00 H new ATOM 0 HG13 VAL A 172 74.021 21.451 -5.393 1.00 25.00 H new ATOM 0 HG21 VAL A 172 71.702 19.542 -6.002 1.00 25.00 H new ATOM 0 HG22 VAL A 172 73.378 19.023 -5.703 1.00 25.00 H new ATOM 0 HG23 VAL A 172 72.049 18.344 -4.733 1.00 25.00 H new ATOM 1442 N ILE A 173 74.592 21.877 -1.981 1.00 25.00 N ATOM 1443 CA ILE A 173 74.713 22.897 -0.943 1.00 25.00 C ATOM 1444 C ILE A 173 74.406 24.257 -1.558 1.00 25.00 C ATOM 1445 O ILE A 173 75.034 24.670 -2.525 1.00 25.00 O ATOM 1446 CB ILE A 173 76.143 22.917 -0.322 1.00 25.00 C ATOM 1447 CG1 ILE A 173 76.514 21.521 0.220 1.00 25.00 C ATOM 1448 CG2 ILE A 173 76.220 23.952 0.836 1.00 25.00 C ATOM 1449 CD1 ILE A 173 77.409 20.686 -0.726 1.00 25.00 C ATOM 0 H ILE A 173 75.331 21.906 -2.684 1.00 25.00 H new ATOM 0 HA ILE A 173 74.008 22.666 -0.145 1.00 25.00 H new ATOM 0 HB ILE A 173 76.847 23.200 -1.105 1.00 25.00 H new ATOM 0 HG12 ILE A 173 77.026 21.640 1.175 1.00 25.00 H new ATOM 0 HG13 ILE A 173 75.597 20.966 0.417 1.00 25.00 H new ATOM 0 HG21 ILE A 173 77.225 23.952 1.258 1.00 25.00 H new ATOM 0 HG22 ILE A 173 75.987 24.945 0.452 1.00 25.00 H new ATOM 0 HG23 ILE A 173 75.502 23.685 1.611 1.00 25.00 H new ATOM 0 HD11 ILE A 173 77.621 19.720 -0.268 1.00 25.00 H new ATOM 0 HD12 ILE A 173 76.893 20.532 -1.674 1.00 25.00 H new ATOM 0 HD13 ILE A 173 78.344 21.217 -0.904 1.00 25.00 H new ATOM 1461 N LEU A 174 73.438 24.953 -0.996 1.00 25.00 N ATOM 1462 CA LEU A 174 73.048 26.272 -1.473 1.00 25.00 C ATOM 1463 C LEU A 174 73.479 27.303 -0.430 1.00 25.00 C ATOM 1464 O LEU A 174 73.340 27.068 0.760 1.00 25.00 O ATOM 1465 CB LEU A 174 71.533 26.293 -1.689 1.00 25.00 C ATOM 1466 CG LEU A 174 70.978 27.655 -2.109 1.00 25.00 C ATOM 1467 CD1 LEU A 174 70.081 27.544 -3.329 1.00 25.00 C ATOM 1468 CD2 LEU A 174 70.219 28.268 -0.938 1.00 25.00 C ATOM 0 H LEU A 174 72.898 24.624 -0.196 1.00 25.00 H new ATOM 0 HA LEU A 174 73.529 26.510 -2.422 1.00 25.00 H new ATOM 0 HB2 LEU A 174 71.276 25.558 -2.451 1.00 25.00 H new ATOM 0 HB3 LEU A 174 71.042 25.982 -0.767 1.00 25.00 H new ATOM 0 HG LEU A 174 71.812 28.300 -2.384 1.00 25.00 H new ATOM 0 HD11 LEU A 174 69.706 28.532 -3.596 1.00 25.00 H new ATOM 0 HD12 LEU A 174 70.650 27.134 -4.163 1.00 25.00 H new ATOM 0 HD13 LEU A 174 69.241 26.886 -3.105 1.00 25.00 H new ATOM 0 HD21 LEU A 174 69.821 29.239 -1.231 1.00 25.00 H new ATOM 0 HD22 LEU A 174 69.398 27.610 -0.652 1.00 25.00 H new ATOM 0 HD23 LEU A 174 70.895 28.393 -0.092 1.00 25.00 H new ATOM 1480 N ARG A 175 74.025 28.429 -0.868 1.00 25.00 N ATOM 1481 CA ARG A 175 74.481 29.482 0.048 1.00 25.00 C ATOM 1482 C ARG A 175 73.866 30.819 -0.332 1.00 25.00 C ATOM 1483 O ARG A 175 74.171 31.386 -1.376 1.00 25.00 O ATOM 1484 CB ARG A 175 76.008 29.576 0.038 1.00 25.00 C ATOM 1485 CG ARG A 175 76.676 28.312 0.562 1.00 25.00 C ATOM 1486 CD ARG A 175 78.165 28.521 0.789 1.00 25.00 C ATOM 1487 NE ARG A 175 78.803 27.301 1.319 1.00 25.00 N ATOM 1488 CZ ARG A 175 78.841 26.945 2.601 1.00 25.00 C ATOM 1489 NH1 ARG A 175 78.300 27.669 3.551 1.00 25.00 N1+ ATOM 1490 NH2 ARG A 175 79.437 25.836 2.935 1.00 25.00 N ATOM 0 H ARG A 175 74.166 28.643 -1.855 1.00 25.00 H new ATOM 0 HA ARG A 175 74.157 29.225 1.057 1.00 25.00 H new ATOM 0 HB2 ARG A 175 76.350 29.768 -0.979 1.00 25.00 H new ATOM 0 HB3 ARG A 175 76.320 30.426 0.645 1.00 25.00 H new ATOM 0 HG2 ARG A 175 76.203 28.010 1.497 1.00 25.00 H new ATOM 0 HG3 ARG A 175 76.526 27.499 -0.148 1.00 25.00 H new ATOM 0 HD2 ARG A 175 78.642 28.805 -0.149 1.00 25.00 H new ATOM 0 HD3 ARG A 175 78.317 29.345 1.486 1.00 25.00 H new ATOM 0 HE ARG A 175 79.252 26.679 0.647 1.00 25.00 H new ATOM 0 HH11 ARG A 175 77.827 28.543 3.320 1.00 25.00 H new ATOM 0 HH12 ARG A 175 78.352 27.359 4.521 1.00 25.00 H new ATOM 0 HH21 ARG A 175 79.867 25.252 2.218 1.00 25.00 H new ATOM 0 HH22 ARG A 175 79.473 25.551 3.914 1.00 25.00 H new ATOM 1504 N GLN A 176 72.980 31.297 0.537 1.00 25.00 N ATOM 1505 CA GLN A 176 72.213 32.533 0.358 1.00 25.00 C ATOM 1506 C GLN A 176 72.798 33.681 1.195 1.00 25.00 C ATOM 1507 O GLN A 176 73.189 33.550 2.346 1.00 25.00 O ATOM 1508 CB GLN A 176 70.737 32.227 0.712 1.00 25.00 C ATOM 1509 CG GLN A 176 69.724 33.193 0.069 1.00 25.00 C ATOM 1510 CD GLN A 176 69.410 34.392 0.918 1.00 25.00 C ATOM 1511 OE1 GLN A 176 70.048 34.749 1.880 1.00 25.00 O ATOM 1512 NE2 GLN A 176 68.323 35.033 0.566 1.00 25.00 N ATOM 1513 OXT GLN A 176 72.923 34.714 0.597 1.00 25.00 O ATOM 0 H GLN A 176 72.767 30.822 1.414 1.00 25.00 H new ATOM 0 HA GLN A 176 72.270 32.872 -0.676 1.00 25.00 H new ATOM 0 HB2 GLN A 176 70.503 31.210 0.398 1.00 25.00 H new ATOM 0 HB3 GLN A 176 70.619 32.262 1.795 1.00 25.00 H new ATOM 0 HG2 GLN A 176 70.116 33.531 -0.890 1.00 25.00 H new ATOM 0 HG3 GLN A 176 68.800 32.652 -0.137 1.00 25.00 H new ATOM 0 HE21 GLN A 176 67.790 34.725 -0.247 1.00 25.00 H new ATOM 0 HE22 GLN A 176 68.010 35.840 1.105 1.00 25.00 H new TER 1523 GLN A 176