USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 815 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 22 CYS SG : rot -56:sc= 1.01 USER MOD Set 1.2: A 78 MET CE :methyl -118:sc= -2.37 (180deg=-2.92!) USER MOD Single : A 4 SER OG : rot 40:sc= 0.169 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc=-0.00442 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0188 K(o=-0.019,f=-1.3) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 150:sc= -0.0144 USER MOD Single : A 35 LYS NZ :NH3+ 147:sc= 0.755 (180deg=0.199) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 38 ASN : amide:sc= -0.0222 K(o=-0.022,f=-1.2!) USER MOD Single : A 41 GLN : amide:sc= -0.793 X(o=-0.79,f=-0.45) USER MOD Single : A 47 TYR OH : rot 119:sc= 0.00394 USER MOD Single : A 48 THR OG1 : rot -77:sc= 0.484 USER MOD Single : A 54 SER OG : rot -121:sc= 0.402 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 135:sc= 0.862 (180deg=0.0286) USER MOD Single : A 72 LYS NZ :NH3+ 167:sc=-0.00258 (180deg=-0.167) USER MOD Single : A 73 LYS NZ :NH3+ -178:sc= 0.931 (180deg=0.926) USER MOD Single : A 77 THR OG1 : rot 42:sc= 0.0653 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= -0.0286 (180deg=-0.0286) USER MOD Single : A 88 SER OG : rot -70:sc= -1.56! USER MOD Single : A 89 ASN : amide:sc= -0.224 K(o=-0.22,f=-7.4!) USER MOD Single : A 90 ASN : amide:sc= -0.0472 X(o=-0.047,f=0) USER MOD Single : A 93 MET CE :methyl -127:sc= -0.337 (180deg=-1.26) USER MOD Single : A 98 LYS NZ :NH3+ -171:sc= -0.0017 (180deg=-0.118) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 104 SER OG : rot 180:sc= 0.00114 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 4 7.491 13.449 11.478 1.00 0.00 N ATOM 2 CA SER A 4 8.232 12.249 11.042 1.00 0.00 C ATOM 3 C SER A 4 7.552 10.982 11.590 1.00 0.00 C ATOM 4 O SER A 4 7.227 10.918 12.783 1.00 0.00 O ATOM 5 CB SER A 4 9.689 12.336 11.547 1.00 0.00 C ATOM 6 OG SER A 4 10.281 13.564 11.167 1.00 0.00 O ATOM 0 HA SER A 4 8.233 12.198 9.953 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.709 12.238 12.632 1.00 0.00 H new ATOM 0 HB3 SER A 4 10.269 11.507 11.142 1.00 0.00 H new ATOM 0 HG SER A 4 9.625 14.286 11.259 1.00 0.00 H new ATOM 12 N HIS A 5 7.326 9.983 10.713 1.00 0.00 N ATOM 13 CA HIS A 5 6.648 8.712 11.064 1.00 0.00 C ATOM 14 C HIS A 5 7.297 7.544 10.302 1.00 0.00 C ATOM 15 O HIS A 5 7.493 7.631 9.091 1.00 0.00 O ATOM 16 CB HIS A 5 5.128 8.758 10.718 1.00 0.00 C ATOM 17 CG HIS A 5 4.354 9.791 11.476 1.00 0.00 C ATOM 18 ND1 HIS A 5 3.783 9.561 12.707 1.00 0.00 N ATOM 19 CD2 HIS A 5 4.088 11.072 11.175 1.00 0.00 C ATOM 20 CE1 HIS A 5 3.195 10.663 13.123 1.00 0.00 C ATOM 21 NE2 HIS A 5 3.370 11.600 12.208 1.00 0.00 N ATOM 0 H HIS A 5 7.609 10.033 9.734 1.00 0.00 H new ATOM 0 HA HIS A 5 6.756 8.568 12.139 1.00 0.00 H new ATOM 0 HB2 HIS A 5 5.016 8.948 9.651 1.00 0.00 H new ATOM 0 HB3 HIS A 5 4.693 7.778 10.915 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.388 11.591 10.277 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.660 10.781 14.054 1.00 0.00 H new ATOM 0 HE2 HIS A 5 3.026 12.558 12.265 1.00 0.00 H new ATOM 30 N MET A 6 7.631 6.462 11.024 1.00 0.00 N ATOM 31 CA MET A 6 8.118 5.194 10.440 1.00 0.00 C ATOM 32 C MET A 6 7.387 4.037 11.129 1.00 0.00 C ATOM 33 O MET A 6 7.271 4.021 12.360 1.00 0.00 O ATOM 34 CB MET A 6 9.660 5.035 10.619 1.00 0.00 C ATOM 35 CG MET A 6 10.510 6.060 9.861 1.00 0.00 C ATOM 36 SD MET A 6 12.277 5.837 10.143 1.00 0.00 S ATOM 37 CE MET A 6 12.955 7.199 9.196 1.00 0.00 C ATOM 0 H MET A 6 7.571 6.439 12.042 1.00 0.00 H new ATOM 0 HA MET A 6 7.915 5.193 9.369 1.00 0.00 H new ATOM 0 HB2 MET A 6 9.896 5.104 11.681 1.00 0.00 H new ATOM 0 HB3 MET A 6 9.947 4.035 10.293 1.00 0.00 H new ATOM 0 HG2 MET A 6 10.303 5.981 8.794 1.00 0.00 H new ATOM 0 HG3 MET A 6 10.221 7.065 10.168 1.00 0.00 H new ATOM 0 HE1 MET A 6 14.042 7.191 9.275 1.00 0.00 H new ATOM 0 HE2 MET A 6 12.666 7.094 8.150 1.00 0.00 H new ATOM 0 HE3 MET A 6 12.569 8.141 9.586 1.00 0.00 H new ATOM 47 N GLY A 7 6.859 3.108 10.326 1.00 0.00 N ATOM 48 CA GLY A 7 6.269 1.870 10.830 1.00 0.00 C ATOM 49 C GLY A 7 7.330 0.868 11.233 1.00 0.00 C ATOM 50 O GLY A 7 7.245 0.236 12.300 1.00 0.00 O ATOM 0 H GLY A 7 6.830 3.195 9.310 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.634 2.092 11.687 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.629 1.434 10.064 1.00 0.00 H new ATOM 54 N GLY A 8 8.335 0.725 10.362 1.00 0.00 N ATOM 55 CA GLY A 8 9.482 -0.126 10.633 1.00 0.00 C ATOM 56 C GLY A 8 10.339 -0.360 9.401 1.00 0.00 C ATOM 57 O GLY A 8 9.913 -0.052 8.278 1.00 0.00 O ATOM 0 H GLY A 8 8.370 1.195 9.458 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.091 0.329 11.414 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.135 -1.085 11.018 1.00 0.00 H new ATOM 61 N GLU A 9 11.553 -0.905 9.612 1.00 0.00 N ATOM 62 CA GLU A 9 12.458 -1.282 8.521 1.00 0.00 C ATOM 63 C GLU A 9 11.882 -2.494 7.780 1.00 0.00 C ATOM 64 O GLU A 9 11.902 -3.615 8.295 1.00 0.00 O ATOM 65 CB GLU A 9 13.882 -1.591 9.049 1.00 0.00 C ATOM 66 CG GLU A 9 14.907 -1.925 7.941 1.00 0.00 C ATOM 67 CD GLU A 9 16.340 -2.094 8.471 1.00 0.00 C ATOM 68 OE1 GLU A 9 16.990 -1.072 8.783 1.00 0.00 O ATOM 69 OE2 GLU A 9 16.827 -3.241 8.585 1.00 0.00 O ATOM 0 H GLU A 9 11.928 -1.094 10.542 1.00 0.00 H new ATOM 0 HA GLU A 9 12.543 -0.442 7.832 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.242 -0.732 9.615 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.827 -2.430 9.743 1.00 0.00 H new ATOM 0 HG2 GLU A 9 14.602 -2.843 7.438 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.895 -1.132 7.193 1.00 0.00 H new ATOM 76 N GLY A 10 11.329 -2.237 6.598 1.00 0.00 N ATOM 77 CA GLY A 10 10.797 -3.274 5.737 1.00 0.00 C ATOM 78 C GLY A 10 10.810 -2.844 4.290 1.00 0.00 C ATOM 79 O GLY A 10 11.111 -1.682 3.977 1.00 0.00 O ATOM 0 H GLY A 10 11.240 -1.296 6.214 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.385 -4.184 5.854 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.777 -3.513 6.039 1.00 0.00 H new ATOM 83 N PHE A 11 10.506 -3.795 3.410 1.00 0.00 N ATOM 84 CA PHE A 11 10.397 -3.563 1.961 1.00 0.00 C ATOM 85 C PHE A 11 8.960 -3.167 1.571 1.00 0.00 C ATOM 86 O PHE A 11 8.642 -3.068 0.393 1.00 0.00 O ATOM 87 CB PHE A 11 10.844 -4.830 1.199 1.00 0.00 C ATOM 88 CG PHE A 11 12.289 -5.241 1.477 1.00 0.00 C ATOM 89 CD1 PHE A 11 13.346 -4.510 0.942 1.00 0.00 C ATOM 90 CD2 PHE A 11 12.589 -6.354 2.263 1.00 0.00 C ATOM 91 CE1 PHE A 11 14.654 -4.875 1.181 1.00 0.00 C ATOM 92 CE2 PHE A 11 13.901 -6.720 2.504 1.00 0.00 C ATOM 93 CZ PHE A 11 14.933 -5.979 1.961 1.00 0.00 C ATOM 0 H PHE A 11 10.325 -4.762 3.680 1.00 0.00 H new ATOM 0 HA PHE A 11 11.051 -2.735 1.687 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.184 -5.655 1.467 1.00 0.00 H new ATOM 0 HB3 PHE A 11 10.724 -4.660 0.129 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.138 -3.644 0.331 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.786 -6.938 2.689 1.00 0.00 H new ATOM 0 HE1 PHE A 11 15.461 -4.296 0.757 1.00 0.00 H new ATOM 0 HE2 PHE A 11 14.118 -7.583 3.115 1.00 0.00 H new ATOM 0 HZ PHE A 11 15.958 -6.264 2.147 1.00 0.00 H new ATOM 103 N VAL A 12 8.110 -2.938 2.575 1.00 0.00 N ATOM 104 CA VAL A 12 6.713 -2.530 2.390 1.00 0.00 C ATOM 105 C VAL A 12 6.589 -1.022 2.651 1.00 0.00 C ATOM 106 O VAL A 12 7.323 -0.481 3.477 1.00 0.00 O ATOM 107 CB VAL A 12 5.778 -3.312 3.385 1.00 0.00 C ATOM 108 CG1 VAL A 12 4.282 -3.026 3.115 1.00 0.00 C ATOM 109 CG2 VAL A 12 6.056 -4.826 3.334 1.00 0.00 C ATOM 0 H VAL A 12 8.376 -3.032 3.555 1.00 0.00 H new ATOM 0 HA VAL A 12 6.408 -2.758 1.369 1.00 0.00 H new ATOM 0 HB VAL A 12 6.008 -2.952 4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.671 -3.585 3.824 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.089 -1.960 3.232 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.031 -3.331 2.099 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.396 -5.341 4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.876 -5.195 2.324 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.093 -5.015 3.610 1.00 0.00 H new ATOM 119 N VAL A 13 5.726 -0.331 1.893 1.00 0.00 N ATOM 120 CA VAL A 13 5.224 1.009 2.261 1.00 0.00 C ATOM 121 C VAL A 13 3.738 0.948 2.640 1.00 0.00 C ATOM 122 O VAL A 13 3.026 0.005 2.268 1.00 0.00 O ATOM 123 CB VAL A 13 5.431 2.063 1.109 1.00 0.00 C ATOM 124 CG1 VAL A 13 6.939 2.302 0.854 1.00 0.00 C ATOM 125 CG2 VAL A 13 4.686 1.665 -0.199 1.00 0.00 C ATOM 0 H VAL A 13 5.355 -0.680 1.009 1.00 0.00 H new ATOM 0 HA VAL A 13 5.807 1.335 3.122 1.00 0.00 H new ATOM 0 HB VAL A 13 4.987 3.001 1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.061 3.033 0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.407 2.677 1.764 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.412 1.364 0.563 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.860 2.424 -0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.059 0.703 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.617 1.589 -0.000 1.00 0.00 H new ATOM 135 N LYS A 14 3.279 1.978 3.367 1.00 0.00 N ATOM 136 CA LYS A 14 1.882 2.107 3.795 1.00 0.00 C ATOM 137 C LYS A 14 1.230 3.242 3.005 1.00 0.00 C ATOM 138 O LYS A 14 1.680 4.381 3.068 1.00 0.00 O ATOM 139 CB LYS A 14 1.784 2.398 5.308 1.00 0.00 C ATOM 140 CG LYS A 14 0.341 2.439 5.840 1.00 0.00 C ATOM 141 CD LYS A 14 0.269 2.843 7.322 1.00 0.00 C ATOM 142 CE LYS A 14 -1.169 2.817 7.845 1.00 0.00 C ATOM 143 NZ LYS A 14 -1.267 3.253 9.256 1.00 0.00 N ATOM 0 H LYS A 14 3.872 2.748 3.675 1.00 0.00 H new ATOM 0 HA LYS A 14 1.366 1.166 3.604 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.340 1.635 5.852 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.266 3.353 5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.241 3.144 5.246 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.118 1.459 5.712 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.884 2.166 7.914 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.684 3.843 7.447 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.790 3.463 7.224 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.568 1.807 7.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.260 3.217 9.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.697 2.622 9.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.912 4.227 9.344 1.00 0.00 H new ATOM 157 N VAL A 15 0.165 2.921 2.283 1.00 0.00 N ATOM 158 CA VAL A 15 -0.485 3.834 1.347 1.00 0.00 C ATOM 159 C VAL A 15 -1.819 4.269 1.956 1.00 0.00 C ATOM 160 O VAL A 15 -2.721 3.465 2.085 1.00 0.00 O ATOM 161 CB VAL A 15 -0.717 3.135 -0.046 1.00 0.00 C ATOM 162 CG1 VAL A 15 -0.885 4.177 -1.172 1.00 0.00 C ATOM 163 CG2 VAL A 15 0.410 2.131 -0.373 1.00 0.00 C ATOM 0 H VAL A 15 -0.280 2.005 2.331 1.00 0.00 H new ATOM 0 HA VAL A 15 0.151 4.703 1.175 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.646 2.568 0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.043 3.665 -2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.744 4.812 -0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.013 4.791 -1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.216 1.669 -1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.365 2.655 -0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.445 1.360 0.397 1.00 0.00 H new ATOM 173 N ARG A 16 -1.921 5.539 2.326 1.00 0.00 N ATOM 174 CA ARG A 16 -3.083 6.097 3.049 1.00 0.00 C ATOM 175 C ARG A 16 -3.647 7.238 2.195 1.00 0.00 C ATOM 176 O ARG A 16 -2.879 7.990 1.629 1.00 0.00 O ATOM 177 CB ARG A 16 -2.616 6.573 4.474 1.00 0.00 C ATOM 178 CG ARG A 16 -3.736 6.913 5.509 1.00 0.00 C ATOM 179 CD ARG A 16 -4.402 8.287 5.299 1.00 0.00 C ATOM 180 NE ARG A 16 -5.463 8.558 6.286 1.00 0.00 N ATOM 181 CZ ARG A 16 -6.013 9.754 6.518 1.00 0.00 C ATOM 182 NH1 ARG A 16 -5.580 10.846 5.901 1.00 0.00 N ATOM 183 NH2 ARG A 16 -6.989 9.849 7.396 1.00 0.00 N ATOM 0 H ARG A 16 -1.195 6.229 2.135 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.871 5.360 3.204 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.984 5.794 4.901 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.991 7.457 4.348 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.503 6.140 5.463 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.310 6.879 6.512 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.644 9.068 5.362 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.824 8.333 4.295 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.805 7.770 6.836 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.812 10.784 5.233 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.016 11.748 6.094 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.315 9.017 7.888 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.419 10.754 7.584 1.00 0.00 H new ATOM 197 N GLY A 17 -4.979 7.374 2.119 1.00 0.00 N ATOM 198 CA GLY A 17 -5.611 8.413 1.282 1.00 0.00 C ATOM 199 C GLY A 17 -6.055 7.902 -0.077 1.00 0.00 C ATOM 200 O GLY A 17 -6.315 8.695 -0.996 1.00 0.00 O ATOM 0 H GLY A 17 -5.640 6.782 2.623 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.474 8.819 1.809 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.908 9.234 1.142 1.00 0.00 H new ATOM 204 N LEU A 18 -6.173 6.573 -0.187 1.00 0.00 N ATOM 205 CA LEU A 18 -6.649 5.903 -1.403 1.00 0.00 C ATOM 206 C LEU A 18 -8.183 5.986 -1.476 1.00 0.00 C ATOM 207 O LEU A 18 -8.852 5.818 -0.447 1.00 0.00 O ATOM 208 CB LEU A 18 -6.217 4.414 -1.416 1.00 0.00 C ATOM 209 CG LEU A 18 -4.683 4.156 -1.458 1.00 0.00 C ATOM 210 CD1 LEU A 18 -4.375 2.651 -1.331 1.00 0.00 C ATOM 211 CD2 LEU A 18 -4.055 4.762 -2.739 1.00 0.00 C ATOM 0 H LEU A 18 -5.940 5.929 0.569 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.209 6.405 -2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.624 3.929 -0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.672 3.930 -2.281 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.229 4.656 -0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.297 2.496 -1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.767 2.278 -0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.843 2.113 -2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.982 4.568 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.511 4.307 -3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.230 5.838 -2.756 1.00 0.00 H new ATOM 223 N PRO A 19 -8.769 6.256 -2.682 1.00 0.00 N ATOM 224 CA PRO A 19 -10.229 6.218 -2.875 1.00 0.00 C ATOM 225 C PRO A 19 -10.788 4.791 -2.679 1.00 0.00 C ATOM 226 O PRO A 19 -10.131 3.794 -3.010 1.00 0.00 O ATOM 227 CB PRO A 19 -10.424 6.724 -4.333 1.00 0.00 C ATOM 228 CG PRO A 19 -9.125 6.418 -5.005 1.00 0.00 C ATOM 229 CD PRO A 19 -8.066 6.622 -3.943 1.00 0.00 C ATOM 0 HA PRO A 19 -10.767 6.829 -2.150 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.255 6.216 -4.823 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.643 7.791 -4.358 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.110 5.396 -5.384 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.959 7.077 -5.857 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.196 5.989 -4.116 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.712 7.653 -3.921 1.00 0.00 H new ATOM 237 N TRP A 20 -12.013 4.723 -2.150 1.00 0.00 N ATOM 238 CA TRP A 20 -12.767 3.467 -1.963 1.00 0.00 C ATOM 239 C TRP A 20 -13.089 2.817 -3.328 1.00 0.00 C ATOM 240 O TRP A 20 -13.373 1.616 -3.401 1.00 0.00 O ATOM 241 CB TRP A 20 -14.085 3.756 -1.190 1.00 0.00 C ATOM 242 CG TRP A 20 -13.888 4.260 0.226 1.00 0.00 C ATOM 243 CD1 TRP A 20 -13.334 5.451 0.612 1.00 0.00 C ATOM 244 CD2 TRP A 20 -14.273 3.594 1.441 1.00 0.00 C ATOM 245 NE1 TRP A 20 -13.338 5.552 1.976 1.00 0.00 N ATOM 246 CE2 TRP A 20 -13.910 4.431 2.509 1.00 0.00 C ATOM 247 CE3 TRP A 20 -14.891 2.375 1.722 1.00 0.00 C ATOM 248 CZ2 TRP A 20 -14.137 4.089 3.840 1.00 0.00 C ATOM 249 CZ3 TRP A 20 -15.118 2.033 3.041 1.00 0.00 C ATOM 250 CH2 TRP A 20 -14.742 2.888 4.090 1.00 0.00 C ATOM 0 H TRP A 20 -12.522 5.548 -1.833 1.00 0.00 H new ATOM 0 HA TRP A 20 -12.154 2.774 -1.387 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -14.663 4.493 -1.747 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -14.679 2.843 -1.157 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -12.950 6.202 -0.063 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -12.972 6.340 2.511 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -15.186 1.711 0.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -13.846 4.748 4.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -15.593 1.091 3.270 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -14.934 2.592 5.111 1.00 0.00 H new ATOM 261 N SER A 21 -13.029 3.638 -4.397 1.00 0.00 N ATOM 262 CA SER A 21 -13.369 3.239 -5.771 1.00 0.00 C ATOM 263 C SER A 21 -12.156 2.703 -6.566 1.00 0.00 C ATOM 264 O SER A 21 -12.302 2.422 -7.759 1.00 0.00 O ATOM 265 CB SER A 21 -13.978 4.460 -6.497 1.00 0.00 C ATOM 266 OG SER A 21 -13.110 5.583 -6.431 1.00 0.00 O ATOM 0 H SER A 21 -12.737 4.613 -4.324 1.00 0.00 H new ATOM 0 HA SER A 21 -14.083 2.418 -5.714 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.171 4.207 -7.540 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.938 4.712 -6.047 1.00 0.00 H new ATOM 0 HG SER A 21 -13.519 6.340 -6.899 1.00 0.00 H new ATOM 272 N CYS A 22 -10.968 2.559 -5.928 1.00 0.00 N ATOM 273 CA CYS A 22 -9.741 2.093 -6.627 1.00 0.00 C ATOM 274 C CYS A 22 -9.426 0.636 -6.277 1.00 0.00 C ATOM 275 O CYS A 22 -9.681 0.180 -5.156 1.00 0.00 O ATOM 276 CB CYS A 22 -8.518 2.969 -6.278 1.00 0.00 C ATOM 277 SG CYS A 22 -7.937 2.819 -4.572 1.00 0.00 S ATOM 0 H CYS A 22 -10.832 2.757 -4.937 1.00 0.00 H new ATOM 0 HA CYS A 22 -9.940 2.175 -7.695 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -7.700 2.709 -6.949 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -8.769 4.012 -6.471 1.00 0.00 H new ATOM 0 HG CYS A 22 -8.916 3.077 -3.756 1.00 0.00 H new ATOM 283 N SER A 23 -8.882 -0.080 -7.269 1.00 0.00 N ATOM 284 CA SER A 23 -8.346 -1.435 -7.124 1.00 0.00 C ATOM 285 C SER A 23 -6.807 -1.372 -7.152 1.00 0.00 C ATOM 286 O SER A 23 -6.224 -0.281 -7.306 1.00 0.00 O ATOM 287 CB SER A 23 -8.879 -2.320 -8.275 1.00 0.00 C ATOM 288 OG SER A 23 -10.293 -2.228 -8.368 1.00 0.00 O ATOM 0 H SER A 23 -8.801 0.279 -8.220 1.00 0.00 H new ATOM 0 HA SER A 23 -8.663 -1.869 -6.176 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.427 -2.010 -9.217 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.588 -3.357 -8.107 1.00 0.00 H new ATOM 0 HG SER A 23 -10.610 -2.794 -9.103 1.00 0.00 H new ATOM 294 N ALA A 24 -6.164 -2.548 -6.997 1.00 0.00 N ATOM 295 CA ALA A 24 -4.690 -2.673 -6.962 1.00 0.00 C ATOM 296 C ALA A 24 -4.011 -2.072 -8.218 1.00 0.00 C ATOM 297 O ALA A 24 -2.883 -1.595 -8.128 1.00 0.00 O ATOM 298 CB ALA A 24 -4.277 -4.142 -6.772 1.00 0.00 C ATOM 0 H ALA A 24 -6.651 -3.438 -6.893 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.342 -2.093 -6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.190 -4.214 -6.749 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.686 -4.516 -5.833 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.663 -4.738 -7.599 1.00 0.00 H new ATOM 304 N ASP A 25 -4.706 -2.131 -9.385 1.00 0.00 N ATOM 305 CA ASP A 25 -4.243 -1.530 -10.665 1.00 0.00 C ATOM 306 C ASP A 25 -3.873 -0.048 -10.535 1.00 0.00 C ATOM 307 O ASP A 25 -2.821 0.370 -11.017 1.00 0.00 O ATOM 308 CB ASP A 25 -5.323 -1.688 -11.767 1.00 0.00 C ATOM 309 CG ASP A 25 -5.681 -3.153 -12.045 1.00 0.00 C ATOM 310 OD1 ASP A 25 -6.512 -3.723 -11.297 1.00 0.00 O ATOM 311 OD2 ASP A 25 -5.125 -3.753 -12.993 1.00 0.00 O ATOM 0 H ASP A 25 -5.608 -2.600 -9.465 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.340 -2.074 -10.942 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.222 -1.150 -11.467 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.966 -1.225 -12.687 1.00 0.00 H new ATOM 316 N GLU A 26 -4.753 0.738 -9.887 1.00 0.00 N ATOM 317 CA GLU A 26 -4.564 2.199 -9.718 1.00 0.00 C ATOM 318 C GLU A 26 -3.410 2.513 -8.745 1.00 0.00 C ATOM 319 O GLU A 26 -2.665 3.476 -8.953 1.00 0.00 O ATOM 320 CB GLU A 26 -5.874 2.890 -9.232 1.00 0.00 C ATOM 321 CG GLU A 26 -7.012 2.988 -10.271 1.00 0.00 C ATOM 322 CD GLU A 26 -7.704 1.653 -10.589 1.00 0.00 C ATOM 323 OE1 GLU A 26 -8.665 1.293 -9.896 1.00 0.00 O ATOM 324 OE2 GLU A 26 -7.303 0.965 -11.551 1.00 0.00 O ATOM 0 H GLU A 26 -5.612 0.385 -9.466 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.305 2.599 -10.698 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.247 2.347 -8.364 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.627 3.897 -8.896 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.760 3.692 -9.906 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.608 3.402 -11.195 1.00 0.00 H new ATOM 331 N VAL A 27 -3.291 1.705 -7.685 1.00 0.00 N ATOM 332 CA VAL A 27 -2.239 1.860 -6.653 1.00 0.00 C ATOM 333 C VAL A 27 -0.861 1.456 -7.217 1.00 0.00 C ATOM 334 O VAL A 27 0.167 2.066 -6.896 1.00 0.00 O ATOM 335 CB VAL A 27 -2.580 1.012 -5.368 1.00 0.00 C ATOM 336 CG1 VAL A 27 -1.546 1.247 -4.233 1.00 0.00 C ATOM 337 CG2 VAL A 27 -4.019 1.317 -4.881 1.00 0.00 C ATOM 0 H VAL A 27 -3.919 0.921 -7.511 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.201 2.911 -6.366 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.524 -0.042 -5.642 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.816 0.645 -3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.553 0.959 -4.580 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.542 2.301 -3.957 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.236 0.723 -3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.104 2.376 -4.638 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.730 1.067 -5.668 1.00 0.00 H new ATOM 347 N GLN A 28 -0.868 0.445 -8.100 1.00 0.00 N ATOM 348 CA GLN A 28 0.340 -0.028 -8.792 1.00 0.00 C ATOM 349 C GLN A 28 0.801 1.035 -9.787 1.00 0.00 C ATOM 350 O GLN A 28 1.996 1.312 -9.911 1.00 0.00 O ATOM 351 CB GLN A 28 0.065 -1.391 -9.491 1.00 0.00 C ATOM 352 CG GLN A 28 1.308 -2.092 -10.091 1.00 0.00 C ATOM 353 CD GLN A 28 1.082 -3.569 -10.436 1.00 0.00 C ATOM 354 OE1 GLN A 28 0.272 -4.249 -9.810 1.00 0.00 O ATOM 355 NE2 GLN A 28 1.818 -4.082 -11.411 1.00 0.00 N ATOM 0 H GLN A 28 -1.712 -0.068 -8.354 1.00 0.00 H new ATOM 0 HA GLN A 28 1.139 -0.191 -8.069 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.397 -2.064 -8.769 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.661 -1.231 -10.288 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.613 -1.561 -10.993 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.133 -2.017 -9.383 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.482 -3.493 -11.913 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.720 -5.066 -11.660 1.00 0.00 H new ATOM 364 N ARG A 29 -0.174 1.634 -10.482 1.00 0.00 N ATOM 365 CA ARG A 29 0.056 2.756 -11.395 1.00 0.00 C ATOM 366 C ARG A 29 0.600 3.993 -10.633 1.00 0.00 C ATOM 367 O ARG A 29 1.458 4.712 -11.151 1.00 0.00 O ATOM 368 CB ARG A 29 -1.264 3.075 -12.146 1.00 0.00 C ATOM 369 CG ARG A 29 -1.154 4.151 -13.242 1.00 0.00 C ATOM 370 CD ARG A 29 -0.223 3.752 -14.407 1.00 0.00 C ATOM 371 NE ARG A 29 -0.058 4.867 -15.361 1.00 0.00 N ATOM 372 CZ ARG A 29 0.749 4.880 -16.433 1.00 0.00 C ATOM 373 NH1 ARG A 29 1.456 3.813 -16.780 1.00 0.00 N ATOM 374 NH2 ARG A 29 0.837 5.980 -17.158 1.00 0.00 N ATOM 0 H ARG A 29 -1.152 1.350 -10.425 1.00 0.00 H new ATOM 0 HA ARG A 29 0.817 2.482 -12.125 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.637 2.156 -12.598 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.009 3.396 -11.418 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.148 4.359 -13.637 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.789 5.076 -12.796 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.750 3.458 -14.014 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.633 2.885 -14.924 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.610 5.707 -15.189 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.393 2.958 -16.228 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.063 3.847 -17.599 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.296 6.805 -16.900 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.446 6.005 -17.976 1.00 0.00 H new ATOM 388 N PHE A 30 0.119 4.215 -9.390 1.00 0.00 N ATOM 389 CA PHE A 30 0.610 5.306 -8.518 1.00 0.00 C ATOM 390 C PHE A 30 2.105 5.111 -8.205 1.00 0.00 C ATOM 391 O PHE A 30 2.892 6.054 -8.274 1.00 0.00 O ATOM 392 CB PHE A 30 -0.222 5.373 -7.204 1.00 0.00 C ATOM 393 CG PHE A 30 0.164 6.516 -6.262 1.00 0.00 C ATOM 394 CD1 PHE A 30 -0.100 7.836 -6.610 1.00 0.00 C ATOM 395 CD2 PHE A 30 0.793 6.276 -5.041 1.00 0.00 C ATOM 396 CE1 PHE A 30 0.245 8.875 -5.771 1.00 0.00 C ATOM 397 CE2 PHE A 30 1.145 7.317 -4.202 1.00 0.00 C ATOM 398 CZ PHE A 30 0.868 8.618 -4.567 1.00 0.00 C ATOM 0 H PHE A 30 -0.615 3.648 -8.965 1.00 0.00 H new ATOM 0 HA PHE A 30 0.489 6.252 -9.046 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.276 5.473 -7.462 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.112 4.428 -6.672 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.583 8.051 -7.552 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.009 5.260 -4.746 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.027 9.893 -6.057 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.636 7.112 -3.262 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.138 9.433 -3.912 1.00 0.00 H new ATOM 408 N PHE A 31 2.485 3.867 -7.892 1.00 0.00 N ATOM 409 CA PHE A 31 3.891 3.497 -7.631 1.00 0.00 C ATOM 410 C PHE A 31 4.546 2.930 -8.906 1.00 0.00 C ATOM 411 O PHE A 31 5.345 1.990 -8.829 1.00 0.00 O ATOM 412 CB PHE A 31 3.965 2.478 -6.460 1.00 0.00 C ATOM 413 CG PHE A 31 3.478 3.031 -5.125 1.00 0.00 C ATOM 414 CD1 PHE A 31 4.234 3.974 -4.428 1.00 0.00 C ATOM 415 CD2 PHE A 31 2.264 2.628 -4.574 1.00 0.00 C ATOM 416 CE1 PHE A 31 3.792 4.490 -3.224 1.00 0.00 C ATOM 417 CE2 PHE A 31 1.828 3.146 -3.379 1.00 0.00 C ATOM 418 CZ PHE A 31 2.592 4.077 -2.700 1.00 0.00 C ATOM 0 H PHE A 31 1.833 3.087 -7.811 1.00 0.00 H new ATOM 0 HA PHE A 31 4.445 4.390 -7.342 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.371 1.601 -6.717 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.996 2.143 -6.348 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.178 4.306 -4.835 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.658 1.900 -5.093 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.390 5.218 -2.696 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.883 2.824 -2.967 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.246 4.479 -1.759 1.00 0.00 H new ATOM 428 N SER A 32 4.221 3.527 -10.079 1.00 0.00 N ATOM 429 CA SER A 32 4.796 3.125 -11.382 1.00 0.00 C ATOM 430 C SER A 32 6.333 3.276 -11.386 1.00 0.00 C ATOM 431 O SER A 32 7.041 2.478 -12.007 1.00 0.00 O ATOM 432 CB SER A 32 4.166 3.962 -12.517 1.00 0.00 C ATOM 433 OG SER A 32 4.664 3.595 -13.787 1.00 0.00 O ATOM 0 H SER A 32 3.556 4.297 -10.146 1.00 0.00 H new ATOM 0 HA SER A 32 4.566 2.072 -11.547 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.083 3.836 -12.502 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.366 5.019 -12.341 1.00 0.00 H new ATOM 0 HG SER A 32 4.239 4.147 -14.477 1.00 0.00 H new ATOM 439 N ASP A 33 6.835 4.303 -10.668 1.00 0.00 N ATOM 440 CA ASP A 33 8.283 4.598 -10.541 1.00 0.00 C ATOM 441 C ASP A 33 8.987 3.677 -9.510 1.00 0.00 C ATOM 442 O ASP A 33 10.165 3.892 -9.194 1.00 0.00 O ATOM 443 CB ASP A 33 8.467 6.077 -10.103 1.00 0.00 C ATOM 444 CG ASP A 33 7.779 7.089 -11.037 1.00 0.00 C ATOM 445 OD1 ASP A 33 6.550 7.287 -10.908 1.00 0.00 O ATOM 446 OD2 ASP A 33 8.454 7.690 -11.904 1.00 0.00 O ATOM 0 H ASP A 33 6.244 4.957 -10.155 1.00 0.00 H new ATOM 0 HA ASP A 33 8.740 4.418 -11.514 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.072 6.200 -9.095 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.532 6.304 -10.058 1.00 0.00 H new ATOM 451 N CYS A 34 8.257 2.681 -8.974 1.00 0.00 N ATOM 452 CA CYS A 34 8.759 1.748 -7.952 1.00 0.00 C ATOM 453 C CYS A 34 8.524 0.293 -8.403 1.00 0.00 C ATOM 454 O CYS A 34 7.445 -0.048 -8.918 1.00 0.00 O ATOM 455 CB CYS A 34 8.036 2.034 -6.615 1.00 0.00 C ATOM 456 SG CYS A 34 8.167 3.752 -6.082 1.00 0.00 S ATOM 0 H CYS A 34 7.290 2.501 -9.243 1.00 0.00 H new ATOM 0 HA CYS A 34 9.831 1.888 -7.815 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.983 1.772 -6.717 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.451 1.389 -5.841 1.00 0.00 H new ATOM 0 HG CYS A 34 7.110 4.076 -5.398 1.00 0.00 H new ATOM 462 N LYS A 35 9.549 -0.552 -8.208 1.00 0.00 N ATOM 463 CA LYS A 35 9.496 -1.987 -8.525 1.00 0.00 C ATOM 464 C LYS A 35 8.772 -2.707 -7.385 1.00 0.00 C ATOM 465 O LYS A 35 9.357 -2.967 -6.330 1.00 0.00 O ATOM 466 CB LYS A 35 10.922 -2.574 -8.728 1.00 0.00 C ATOM 467 CG LYS A 35 11.708 -1.957 -9.911 1.00 0.00 C ATOM 468 CD LYS A 35 13.093 -2.615 -10.127 1.00 0.00 C ATOM 469 CE LYS A 35 14.033 -2.480 -8.911 1.00 0.00 C ATOM 470 NZ LYS A 35 15.371 -3.056 -9.157 1.00 0.00 N ATOM 0 H LYS A 35 10.445 -0.255 -7.822 1.00 0.00 H new ATOM 0 HA LYS A 35 8.955 -2.131 -9.460 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.495 -2.428 -7.812 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.840 -3.650 -8.885 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.119 -2.056 -10.823 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.843 -0.890 -9.733 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.953 -3.672 -10.353 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.570 -2.163 -10.997 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.138 -1.426 -8.653 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.581 -2.975 -8.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.086 -2.507 -8.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.389 -4.043 -8.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.581 -3.023 -10.175 1.00 0.00 H new ATOM 484 N ILE A 36 7.482 -2.967 -7.606 1.00 0.00 N ATOM 485 CA ILE A 36 6.596 -3.591 -6.628 1.00 0.00 C ATOM 486 C ILE A 36 6.806 -5.111 -6.636 1.00 0.00 C ATOM 487 O ILE A 36 6.663 -5.764 -7.682 1.00 0.00 O ATOM 488 CB ILE A 36 5.087 -3.234 -6.924 1.00 0.00 C ATOM 489 CG1 ILE A 36 4.886 -1.684 -6.845 1.00 0.00 C ATOM 490 CG2 ILE A 36 4.113 -3.988 -5.970 1.00 0.00 C ATOM 491 CD1 ILE A 36 3.466 -1.207 -7.104 1.00 0.00 C ATOM 0 H ILE A 36 7.018 -2.745 -8.487 1.00 0.00 H new ATOM 0 HA ILE A 36 6.839 -3.204 -5.638 1.00 0.00 H new ATOM 0 HB ILE A 36 4.847 -3.567 -7.934 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.193 -1.343 -5.857 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.550 -1.209 -7.567 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.085 -3.713 -6.208 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.240 -5.063 -6.096 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.331 -3.716 -4.937 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.427 -0.120 -7.027 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.157 -1.511 -8.104 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.794 -1.647 -6.367 1.00 0.00 H new ATOM 503 N GLN A 37 7.155 -5.651 -5.453 1.00 0.00 N ATOM 504 CA GLN A 37 7.346 -7.098 -5.239 1.00 0.00 C ATOM 505 C GLN A 37 6.053 -7.855 -5.556 1.00 0.00 C ATOM 506 O GLN A 37 4.981 -7.495 -5.049 1.00 0.00 O ATOM 507 CB GLN A 37 7.816 -7.398 -3.777 1.00 0.00 C ATOM 508 CG GLN A 37 7.470 -8.818 -3.237 1.00 0.00 C ATOM 509 CD GLN A 37 8.164 -9.179 -1.921 1.00 0.00 C ATOM 510 OE1 GLN A 37 9.283 -8.744 -1.652 1.00 0.00 O ATOM 511 NE2 GLN A 37 7.493 -9.961 -1.087 1.00 0.00 N ATOM 0 H GLN A 37 7.313 -5.093 -4.614 1.00 0.00 H new ATOM 0 HA GLN A 37 8.129 -7.441 -5.916 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.896 -7.263 -3.727 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.371 -6.658 -3.112 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.391 -8.887 -3.096 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.741 -9.557 -3.991 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.567 -10.304 -1.343 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.903 -10.220 -0.190 1.00 0.00 H new ATOM 520 N ASN A 38 6.185 -8.863 -6.441 1.00 0.00 N ATOM 521 CA ASN A 38 5.113 -9.817 -6.784 1.00 0.00 C ATOM 522 C ASN A 38 3.899 -9.109 -7.460 1.00 0.00 C ATOM 523 O ASN A 38 2.795 -9.673 -7.542 1.00 0.00 O ATOM 524 CB ASN A 38 4.725 -10.620 -5.493 1.00 0.00 C ATOM 525 CG ASN A 38 4.079 -11.972 -5.751 1.00 0.00 C ATOM 526 OD1 ASN A 38 4.264 -12.582 -6.801 1.00 0.00 O ATOM 527 ND2 ASN A 38 3.360 -12.472 -4.772 1.00 0.00 N ATOM 0 H ASN A 38 7.054 -9.039 -6.945 1.00 0.00 H new ATOM 0 HA ASN A 38 5.473 -10.525 -7.531 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.622 -10.771 -4.893 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.042 -10.015 -4.898 1.00 0.00 H new ATOM 0 HD21 ASN A 38 2.935 -13.394 -4.871 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.227 -11.938 -3.913 1.00 0.00 H new ATOM 534 N GLY A 39 4.139 -7.868 -7.959 1.00 0.00 N ATOM 535 CA GLY A 39 3.121 -7.059 -8.632 1.00 0.00 C ATOM 536 C GLY A 39 1.930 -6.718 -7.734 1.00 0.00 C ATOM 537 O GLY A 39 2.117 -6.372 -6.565 1.00 0.00 O ATOM 0 H GLY A 39 5.049 -7.411 -7.899 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.577 -6.134 -8.986 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.763 -7.595 -9.511 1.00 0.00 H new ATOM 541 N ALA A 40 0.710 -6.839 -8.281 1.00 0.00 N ATOM 542 CA ALA A 40 -0.557 -6.611 -7.541 1.00 0.00 C ATOM 543 C ALA A 40 -0.748 -7.542 -6.319 1.00 0.00 C ATOM 544 O ALA A 40 -1.564 -7.248 -5.435 1.00 0.00 O ATOM 545 CB ALA A 40 -1.732 -6.759 -8.510 1.00 0.00 C ATOM 0 H ALA A 40 0.566 -7.100 -9.257 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.512 -5.600 -7.135 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.667 -6.593 -7.976 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.637 -6.026 -9.311 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.730 -7.763 -8.934 1.00 0.00 H new ATOM 551 N GLN A 41 -0.003 -8.661 -6.285 1.00 0.00 N ATOM 552 CA GLN A 41 -0.046 -9.622 -5.163 1.00 0.00 C ATOM 553 C GLN A 41 0.757 -9.079 -3.962 1.00 0.00 C ATOM 554 O GLN A 41 0.538 -9.505 -2.821 1.00 0.00 O ATOM 555 CB GLN A 41 0.489 -11.020 -5.603 1.00 0.00 C ATOM 556 CG GLN A 41 -0.415 -11.812 -6.588 1.00 0.00 C ATOM 557 CD GLN A 41 -0.603 -11.139 -7.954 1.00 0.00 C ATOM 558 OE1 GLN A 41 0.178 -11.356 -8.870 1.00 0.00 O ATOM 559 NE2 GLN A 41 -1.631 -10.311 -8.091 1.00 0.00 N ATOM 0 H GLN A 41 0.643 -8.926 -7.029 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.085 -9.745 -4.857 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.466 -10.884 -6.066 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.640 -11.627 -4.711 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.014 -12.802 -6.740 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.393 -11.956 -6.129 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.265 -10.151 -7.308 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.787 -9.835 -8.979 1.00 0.00 H new ATOM 568 N GLY A 42 1.679 -8.132 -4.234 1.00 0.00 N ATOM 569 CA GLY A 42 2.374 -7.378 -3.186 1.00 0.00 C ATOM 570 C GLY A 42 1.491 -6.295 -2.561 1.00 0.00 C ATOM 571 O GLY A 42 1.755 -5.842 -1.442 1.00 0.00 O ATOM 0 H GLY A 42 1.957 -7.875 -5.181 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.706 -8.065 -2.408 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.267 -6.916 -3.607 1.00 0.00 H new ATOM 575 N ILE A 43 0.437 -5.880 -3.292 1.00 0.00 N ATOM 576 CA ILE A 43 -0.523 -4.861 -2.832 1.00 0.00 C ATOM 577 C ILE A 43 -1.703 -5.537 -2.103 1.00 0.00 C ATOM 578 O ILE A 43 -2.329 -6.455 -2.638 1.00 0.00 O ATOM 579 CB ILE A 43 -1.068 -4.004 -4.035 1.00 0.00 C ATOM 580 CG1 ILE A 43 0.120 -3.430 -4.873 1.00 0.00 C ATOM 581 CG2 ILE A 43 -2.011 -2.867 -3.544 1.00 0.00 C ATOM 582 CD1 ILE A 43 -0.289 -2.598 -6.074 1.00 0.00 C ATOM 0 H ILE A 43 0.228 -6.245 -4.221 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.000 -4.195 -2.145 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.659 -4.657 -4.677 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.743 -2.818 -4.221 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.737 -4.260 -5.217 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.369 -2.296 -4.401 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.861 -3.301 -3.017 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.465 -2.207 -2.870 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.602 -2.244 -6.592 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.885 -3.208 -6.753 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.879 -1.744 -5.741 1.00 0.00 H new ATOM 594 N ARG A 44 -1.984 -5.061 -0.884 1.00 0.00 N ATOM 595 CA ARG A 44 -3.107 -5.540 -0.044 1.00 0.00 C ATOM 596 C ARG A 44 -3.754 -4.362 0.686 1.00 0.00 C ATOM 597 O ARG A 44 -3.151 -3.798 1.600 1.00 0.00 O ATOM 598 CB ARG A 44 -2.695 -6.632 1.000 1.00 0.00 C ATOM 599 CG ARG A 44 -2.462 -8.069 0.457 1.00 0.00 C ATOM 600 CD ARG A 44 -1.042 -8.305 -0.076 1.00 0.00 C ATOM 601 NE ARG A 44 -0.027 -8.110 0.974 1.00 0.00 N ATOM 602 CZ ARG A 44 1.269 -8.389 0.848 1.00 0.00 C ATOM 603 NH1 ARG A 44 1.752 -8.861 -0.287 1.00 0.00 N ATOM 604 NH2 ARG A 44 2.080 -8.198 1.870 1.00 0.00 N ATOM 0 H ARG A 44 -1.436 -4.324 -0.441 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.815 -6.009 -0.727 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.780 -6.303 1.493 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.470 -6.680 1.765 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.666 -8.786 1.252 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.178 -8.267 -0.341 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.966 -9.317 -0.473 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.846 -7.623 -0.903 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.342 -7.732 1.867 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.130 -9.016 -1.081 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.747 -9.070 -0.370 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.714 -7.838 2.751 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.074 -8.410 1.779 1.00 0.00 H new ATOM 618 N PHE A 45 -4.984 -4.011 0.284 1.00 0.00 N ATOM 619 CA PHE A 45 -5.798 -2.997 0.984 1.00 0.00 C ATOM 620 C PHE A 45 -6.172 -3.522 2.372 1.00 0.00 C ATOM 621 O PHE A 45 -6.455 -4.716 2.513 1.00 0.00 O ATOM 622 CB PHE A 45 -7.086 -2.658 0.196 1.00 0.00 C ATOM 623 CG PHE A 45 -6.835 -2.082 -1.191 1.00 0.00 C ATOM 624 CD1 PHE A 45 -6.595 -2.918 -2.282 1.00 0.00 C ATOM 625 CD2 PHE A 45 -6.828 -0.699 -1.404 1.00 0.00 C ATOM 626 CE1 PHE A 45 -6.364 -2.395 -3.535 1.00 0.00 C ATOM 627 CE2 PHE A 45 -6.597 -0.181 -2.661 1.00 0.00 C ATOM 628 CZ PHE A 45 -6.365 -1.028 -3.722 1.00 0.00 C ATOM 0 H PHE A 45 -5.444 -4.417 -0.531 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.207 -2.085 1.070 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.687 -3.562 0.099 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.674 -1.944 0.773 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.590 -3.989 -2.142 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.005 -0.030 -0.575 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.182 -3.055 -4.371 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.598 0.888 -2.813 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.183 -0.620 -4.705 1.00 0.00 H new ATOM 638 N ILE A 46 -6.143 -2.650 3.391 1.00 0.00 N ATOM 639 CA ILE A 46 -6.602 -2.997 4.736 1.00 0.00 C ATOM 640 C ILE A 46 -8.142 -3.102 4.707 1.00 0.00 C ATOM 641 O ILE A 46 -8.849 -2.097 4.877 1.00 0.00 O ATOM 642 CB ILE A 46 -6.132 -1.925 5.799 1.00 0.00 C ATOM 643 CG1 ILE A 46 -4.598 -1.652 5.683 1.00 0.00 C ATOM 644 CG2 ILE A 46 -6.506 -2.368 7.235 1.00 0.00 C ATOM 645 CD1 ILE A 46 -4.058 -0.578 6.627 1.00 0.00 C ATOM 0 H ILE A 46 -5.803 -1.692 3.303 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.167 -3.951 5.035 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.655 -0.993 5.586 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.064 -2.583 5.873 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.373 -1.359 4.657 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.172 -1.614 7.947 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.587 -2.484 7.310 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.023 -3.319 7.460 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.986 -0.462 6.471 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.559 0.369 6.425 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.244 -0.874 7.659 1.00 0.00 H new ATOM 657 N TYR A 47 -8.643 -4.310 4.398 1.00 0.00 N ATOM 658 CA TYR A 47 -10.081 -4.596 4.381 1.00 0.00 C ATOM 659 C TYR A 47 -10.535 -4.900 5.809 1.00 0.00 C ATOM 660 O TYR A 47 -9.866 -5.640 6.536 1.00 0.00 O ATOM 661 CB TYR A 47 -10.418 -5.803 3.457 1.00 0.00 C ATOM 662 CG TYR A 47 -10.225 -5.547 1.953 1.00 0.00 C ATOM 663 CD1 TYR A 47 -11.184 -4.847 1.216 1.00 0.00 C ATOM 664 CD2 TYR A 47 -9.095 -6.008 1.269 1.00 0.00 C ATOM 665 CE1 TYR A 47 -11.021 -4.618 -0.137 1.00 0.00 C ATOM 666 CE2 TYR A 47 -8.934 -5.780 -0.085 1.00 0.00 C ATOM 667 CZ TYR A 47 -9.895 -5.087 -0.782 1.00 0.00 C ATOM 668 OH TYR A 47 -9.731 -4.855 -2.128 1.00 0.00 O ATOM 0 H TYR A 47 -8.061 -5.111 4.154 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.604 -3.724 3.987 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.795 -6.649 3.749 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.454 -6.095 3.630 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -12.069 -4.478 1.713 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.334 -6.552 1.809 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -11.773 -4.073 -0.688 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -8.055 -6.146 -0.594 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.920 -4.324 -2.272 1.00 0.00 H new ATOM 678 N THR A 48 -11.670 -4.325 6.182 1.00 0.00 N ATOM 679 CA THR A 48 -12.285 -4.510 7.501 1.00 0.00 C ATOM 680 C THR A 48 -13.135 -5.803 7.538 1.00 0.00 C ATOM 681 O THR A 48 -13.214 -6.532 6.532 1.00 0.00 O ATOM 682 CB THR A 48 -13.167 -3.264 7.825 1.00 0.00 C ATOM 683 OG1 THR A 48 -14.193 -3.126 6.822 1.00 0.00 O ATOM 684 CG2 THR A 48 -12.327 -1.967 7.884 1.00 0.00 C ATOM 0 H THR A 48 -12.203 -3.706 5.571 1.00 0.00 H new ATOM 0 HA THR A 48 -11.502 -4.610 8.253 1.00 0.00 H new ATOM 0 HB THR A 48 -13.617 -3.418 8.806 1.00 0.00 H new ATOM 0 HG1 THR A 48 -13.805 -2.741 6.008 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.977 -1.122 8.112 1.00 0.00 H new ATOM 0 HG22 THR A 48 -11.568 -2.060 8.660 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.843 -1.803 6.921 1.00 0.00 H new ATOM 692 N ARG A 49 -13.789 -6.069 8.693 1.00 0.00 N ATOM 693 CA ARG A 49 -14.745 -7.194 8.844 1.00 0.00 C ATOM 694 C ARG A 49 -16.005 -6.930 7.968 1.00 0.00 C ATOM 695 O ARG A 49 -16.739 -7.860 7.617 1.00 0.00 O ATOM 696 CB ARG A 49 -15.096 -7.390 10.366 1.00 0.00 C ATOM 697 CG ARG A 49 -15.552 -8.818 10.805 1.00 0.00 C ATOM 698 CD ARG A 49 -16.987 -9.192 10.387 1.00 0.00 C ATOM 699 NE ARG A 49 -17.368 -10.565 10.783 1.00 0.00 N ATOM 700 CZ ARG A 49 -18.175 -11.381 10.076 1.00 0.00 C ATOM 701 NH1 ARG A 49 -18.691 -10.997 8.911 1.00 0.00 N ATOM 702 NH2 ARG A 49 -18.463 -12.579 10.546 1.00 0.00 N ATOM 0 H ARG A 49 -13.671 -5.515 9.541 1.00 0.00 H new ATOM 0 HA ARG A 49 -14.296 -8.123 8.494 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.220 -7.117 10.955 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -15.887 -6.686 10.626 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -14.863 -9.550 10.384 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -15.473 -8.893 11.890 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -17.685 -8.484 10.834 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -17.081 -9.093 9.306 1.00 0.00 H new ATOM 0 HE ARG A 49 -16.990 -10.923 11.660 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -18.478 -10.071 8.539 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -19.300 -11.628 8.390 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -18.076 -12.883 11.439 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -19.073 -13.202 10.016 1.00 0.00 H new ATOM 716 N GLU A 50 -16.188 -5.664 7.538 1.00 0.00 N ATOM 717 CA GLU A 50 -17.342 -5.233 6.729 1.00 0.00 C ATOM 718 C GLU A 50 -17.095 -5.508 5.220 1.00 0.00 C ATOM 719 O GLU A 50 -17.936 -5.180 4.378 1.00 0.00 O ATOM 720 CB GLU A 50 -17.593 -3.716 6.979 1.00 0.00 C ATOM 721 CG GLU A 50 -17.628 -3.287 8.465 1.00 0.00 C ATOM 722 CD GLU A 50 -18.647 -4.067 9.312 1.00 0.00 C ATOM 723 OE1 GLU A 50 -19.857 -3.768 9.225 1.00 0.00 O ATOM 724 OE2 GLU A 50 -18.248 -4.997 10.052 1.00 0.00 O ATOM 0 H GLU A 50 -15.534 -4.909 7.745 1.00 0.00 H new ATOM 0 HA GLU A 50 -18.223 -5.802 7.025 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -16.813 -3.147 6.472 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -18.541 -3.440 6.516 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -16.635 -3.419 8.895 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -17.861 -2.224 8.521 1.00 0.00 H new ATOM 731 N GLY A 51 -15.924 -6.106 4.897 1.00 0.00 N ATOM 732 CA GLY A 51 -15.552 -6.433 3.511 1.00 0.00 C ATOM 733 C GLY A 51 -15.240 -5.215 2.641 1.00 0.00 C ATOM 734 O GLY A 51 -15.275 -5.298 1.406 1.00 0.00 O ATOM 0 H GLY A 51 -15.221 -6.371 5.587 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.681 -7.088 3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.365 -6.995 3.051 1.00 0.00 H new ATOM 738 N ARG A 52 -14.931 -4.084 3.287 1.00 0.00 N ATOM 739 CA ARG A 52 -14.663 -2.804 2.600 1.00 0.00 C ATOM 740 C ARG A 52 -13.306 -2.241 3.058 1.00 0.00 C ATOM 741 O ARG A 52 -12.951 -2.382 4.235 1.00 0.00 O ATOM 742 CB ARG A 52 -15.832 -1.802 2.849 1.00 0.00 C ATOM 743 CG ARG A 52 -16.094 -1.442 4.328 1.00 0.00 C ATOM 744 CD ARG A 52 -17.374 -0.601 4.517 1.00 0.00 C ATOM 745 NE ARG A 52 -18.582 -1.336 4.087 1.00 0.00 N ATOM 746 CZ ARG A 52 -19.807 -0.804 3.929 1.00 0.00 C ATOM 747 NH1 ARG A 52 -20.030 0.491 4.114 1.00 0.00 N ATOM 748 NH2 ARG A 52 -20.806 -1.583 3.560 1.00 0.00 N ATOM 0 H ARG A 52 -14.858 -4.025 4.303 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.606 -2.969 1.524 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -15.623 -0.883 2.301 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -16.745 -2.224 2.428 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -16.177 -2.359 4.912 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -15.240 -0.890 4.720 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -17.473 -0.321 5.566 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -17.289 0.324 3.946 1.00 0.00 H new ATOM 0 HE ARG A 52 -18.478 -2.332 3.894 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -19.263 1.107 4.382 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -20.969 0.870 3.988 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -20.645 -2.577 3.398 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -21.740 -1.191 3.437 1.00 0.00 H new ATOM 762 N PRO A 53 -12.497 -1.628 2.129 1.00 0.00 N ATOM 763 CA PRO A 53 -11.160 -1.097 2.469 1.00 0.00 C ATOM 764 C PRO A 53 -11.260 0.197 3.296 1.00 0.00 C ATOM 765 O PRO A 53 -12.186 0.982 3.119 1.00 0.00 O ATOM 766 CB PRO A 53 -10.510 -0.852 1.082 1.00 0.00 C ATOM 767 CG PRO A 53 -11.670 -0.549 0.176 1.00 0.00 C ATOM 768 CD PRO A 53 -12.830 -1.389 0.689 1.00 0.00 C ATOM 0 HA PRO A 53 -10.576 -1.775 3.091 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.804 -0.022 1.115 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -9.958 -1.728 0.741 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.916 0.513 0.199 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.434 -0.799 -0.858 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -13.780 -0.866 0.581 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -12.918 -2.326 0.139 1.00 0.00 H new ATOM 776 N SER A 54 -10.279 0.413 4.182 1.00 0.00 N ATOM 777 CA SER A 54 -10.207 1.609 5.048 1.00 0.00 C ATOM 778 C SER A 54 -9.741 2.867 4.257 1.00 0.00 C ATOM 779 O SER A 54 -9.636 3.970 4.817 1.00 0.00 O ATOM 780 CB SER A 54 -9.243 1.303 6.227 1.00 0.00 C ATOM 781 OG SER A 54 -9.180 2.365 7.161 1.00 0.00 O ATOM 0 H SER A 54 -9.506 -0.238 4.323 1.00 0.00 H new ATOM 0 HA SER A 54 -11.202 1.835 5.430 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.570 0.395 6.734 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.245 1.107 5.835 1.00 0.00 H new ATOM 0 HG SER A 54 -8.255 2.680 7.237 1.00 0.00 H new ATOM 787 N GLY A 55 -9.472 2.683 2.945 1.00 0.00 N ATOM 788 CA GLY A 55 -8.826 3.703 2.114 1.00 0.00 C ATOM 789 C GLY A 55 -7.304 3.639 2.252 1.00 0.00 C ATOM 790 O GLY A 55 -6.585 4.552 1.846 1.00 0.00 O ATOM 0 H GLY A 55 -9.698 1.825 2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.107 3.558 1.071 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.180 4.692 2.405 1.00 0.00 H new ATOM 794 N GLU A 56 -6.835 2.568 2.922 1.00 0.00 N ATOM 795 CA GLU A 56 -5.415 2.276 3.139 1.00 0.00 C ATOM 796 C GLU A 56 -5.033 0.924 2.512 1.00 0.00 C ATOM 797 O GLU A 56 -5.899 0.061 2.317 1.00 0.00 O ATOM 798 CB GLU A 56 -5.139 2.267 4.660 1.00 0.00 C ATOM 799 CG GLU A 56 -5.550 3.563 5.388 1.00 0.00 C ATOM 800 CD GLU A 56 -5.422 3.473 6.912 1.00 0.00 C ATOM 801 OE1 GLU A 56 -4.290 3.333 7.409 1.00 0.00 O ATOM 802 OE2 GLU A 56 -6.444 3.571 7.626 1.00 0.00 O ATOM 0 H GLU A 56 -7.452 1.869 3.335 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.808 3.044 2.659 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.671 1.428 5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.075 2.094 4.823 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.932 4.385 5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.582 3.803 5.131 1.00 0.00 H new ATOM 809 N ALA A 57 -3.737 0.778 2.192 1.00 0.00 N ATOM 810 CA ALA A 57 -3.138 -0.456 1.659 1.00 0.00 C ATOM 811 C ALA A 57 -1.681 -0.585 2.124 1.00 0.00 C ATOM 812 O ALA A 57 -1.105 0.349 2.677 1.00 0.00 O ATOM 813 CB ALA A 57 -3.205 -0.471 0.115 1.00 0.00 C ATOM 0 H ALA A 57 -3.060 1.534 2.300 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.706 -1.305 2.039 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.757 -1.391 -0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.246 -0.418 -0.205 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.659 0.385 -0.281 1.00 0.00 H new ATOM 819 N PHE A 58 -1.122 -1.780 1.948 1.00 0.00 N ATOM 820 CA PHE A 58 0.313 -2.051 2.071 1.00 0.00 C ATOM 821 C PHE A 58 0.839 -2.599 0.736 1.00 0.00 C ATOM 822 O PHE A 58 0.354 -3.626 0.252 1.00 0.00 O ATOM 823 CB PHE A 58 0.577 -3.073 3.207 1.00 0.00 C ATOM 824 CG PHE A 58 0.319 -2.551 4.616 1.00 0.00 C ATOM 825 CD1 PHE A 58 1.233 -1.698 5.231 1.00 0.00 C ATOM 826 CD2 PHE A 58 -0.811 -2.927 5.328 1.00 0.00 C ATOM 827 CE1 PHE A 58 1.021 -1.235 6.514 1.00 0.00 C ATOM 828 CE2 PHE A 58 -1.020 -2.468 6.610 1.00 0.00 C ATOM 829 CZ PHE A 58 -0.106 -1.620 7.205 1.00 0.00 C ATOM 0 H PHE A 58 -1.666 -2.609 1.710 1.00 0.00 H new ATOM 0 HA PHE A 58 0.833 -1.125 2.317 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.050 -3.949 3.040 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.613 -3.405 3.143 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.121 -1.395 4.696 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.535 -3.587 4.872 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.738 -0.572 6.975 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.903 -2.773 7.153 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.275 -1.260 8.209 1.00 0.00 H new ATOM 839 N VAL A 59 1.815 -1.896 0.150 1.00 0.00 N ATOM 840 CA VAL A 59 2.478 -2.290 -1.104 1.00 0.00 C ATOM 841 C VAL A 59 3.888 -2.794 -0.784 1.00 0.00 C ATOM 842 O VAL A 59 4.663 -2.075 -0.159 1.00 0.00 O ATOM 843 CB VAL A 59 2.549 -1.068 -2.098 1.00 0.00 C ATOM 844 CG1 VAL A 59 3.418 -1.373 -3.346 1.00 0.00 C ATOM 845 CG2 VAL A 59 1.126 -0.616 -2.510 1.00 0.00 C ATOM 0 H VAL A 59 2.174 -1.023 0.538 1.00 0.00 H new ATOM 0 HA VAL A 59 1.904 -3.084 -1.583 1.00 0.00 H new ATOM 0 HB VAL A 59 3.035 -0.249 -1.568 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.435 -0.501 -3.999 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.434 -1.612 -3.032 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.996 -2.221 -3.885 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.197 0.228 -3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.610 -1.441 -3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.568 -0.317 -1.623 1.00 0.00 H new ATOM 855 N GLU A 60 4.209 -4.029 -1.194 1.00 0.00 N ATOM 856 CA GLU A 60 5.572 -4.578 -1.076 1.00 0.00 C ATOM 857 C GLU A 60 6.420 -4.104 -2.260 1.00 0.00 C ATOM 858 O GLU A 60 5.899 -3.863 -3.349 1.00 0.00 O ATOM 859 CB GLU A 60 5.551 -6.124 -1.040 1.00 0.00 C ATOM 860 CG GLU A 60 4.781 -6.735 0.140 1.00 0.00 C ATOM 861 CD GLU A 60 4.871 -8.272 0.202 1.00 0.00 C ATOM 862 OE1 GLU A 60 4.677 -8.937 -0.840 1.00 0.00 O ATOM 863 OE2 GLU A 60 5.065 -8.830 1.305 1.00 0.00 O ATOM 0 H GLU A 60 3.539 -4.673 -1.614 1.00 0.00 H new ATOM 0 HA GLU A 60 6.005 -4.220 -0.142 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.112 -6.488 -1.969 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.579 -6.486 -1.010 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.167 -6.318 1.070 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.733 -6.443 0.070 1.00 0.00 H new ATOM 870 N LEU A 61 7.732 -3.989 -2.032 1.00 0.00 N ATOM 871 CA LEU A 61 8.706 -3.514 -3.032 1.00 0.00 C ATOM 872 C LEU A 61 9.944 -4.415 -3.001 1.00 0.00 C ATOM 873 O LEU A 61 10.264 -5.010 -1.968 1.00 0.00 O ATOM 874 CB LEU A 61 9.095 -2.014 -2.805 1.00 0.00 C ATOM 875 CG LEU A 61 7.899 -0.984 -2.787 1.00 0.00 C ATOM 876 CD1 LEU A 61 7.346 -0.760 -1.366 1.00 0.00 C ATOM 877 CD2 LEU A 61 8.266 0.351 -3.446 1.00 0.00 C ATOM 0 H LEU A 61 8.158 -4.226 -1.136 1.00 0.00 H new ATOM 0 HA LEU A 61 8.243 -3.569 -4.017 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.629 -1.937 -1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.792 -1.717 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 61 7.107 -1.435 -3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.525 -0.044 -1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.984 -1.706 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.137 -0.371 -0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.409 1.024 -3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.105 0.801 -2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.545 0.179 -4.485 1.00 0.00 H new ATOM 889 N GLU A 62 10.626 -4.506 -4.151 1.00 0.00 N ATOM 890 CA GLU A 62 11.778 -5.396 -4.348 1.00 0.00 C ATOM 891 C GLU A 62 12.979 -4.982 -3.471 1.00 0.00 C ATOM 892 O GLU A 62 13.742 -5.840 -3.013 1.00 0.00 O ATOM 893 CB GLU A 62 12.184 -5.409 -5.851 1.00 0.00 C ATOM 894 CG GLU A 62 13.333 -6.383 -6.187 1.00 0.00 C ATOM 895 CD GLU A 62 13.732 -6.369 -7.669 1.00 0.00 C ATOM 896 OE1 GLU A 62 13.095 -7.081 -8.473 1.00 0.00 O ATOM 897 OE2 GLU A 62 14.678 -5.643 -8.038 1.00 0.00 O ATOM 0 H GLU A 62 10.391 -3.958 -4.979 1.00 0.00 H new ATOM 0 HA GLU A 62 11.483 -6.400 -4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.312 -5.673 -6.449 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.479 -4.402 -6.145 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.203 -6.129 -5.582 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.035 -7.394 -5.908 1.00 0.00 H new ATOM 904 N SER A 63 13.123 -3.670 -3.218 1.00 0.00 N ATOM 905 CA SER A 63 14.317 -3.117 -2.550 1.00 0.00 C ATOM 906 C SER A 63 13.950 -1.933 -1.644 1.00 0.00 C ATOM 907 O SER A 63 12.928 -1.275 -1.855 1.00 0.00 O ATOM 908 CB SER A 63 15.357 -2.692 -3.613 1.00 0.00 C ATOM 909 OG SER A 63 15.711 -3.785 -4.455 1.00 0.00 O ATOM 0 H SER A 63 12.425 -2.969 -3.467 1.00 0.00 H new ATOM 0 HA SER A 63 14.750 -3.891 -1.916 1.00 0.00 H new ATOM 0 HB2 SER A 63 14.952 -1.881 -4.218 1.00 0.00 H new ATOM 0 HB3 SER A 63 16.249 -2.307 -3.119 1.00 0.00 H new ATOM 0 HG SER A 63 16.368 -3.488 -5.118 1.00 0.00 H new ATOM 915 N GLU A 64 14.804 -1.682 -0.630 1.00 0.00 N ATOM 916 CA GLU A 64 14.647 -0.554 0.312 1.00 0.00 C ATOM 917 C GLU A 64 14.823 0.798 -0.428 1.00 0.00 C ATOM 918 O GLU A 64 14.263 1.818 -0.027 1.00 0.00 O ATOM 919 CB GLU A 64 15.667 -0.711 1.488 1.00 0.00 C ATOM 920 CG GLU A 64 15.224 -0.122 2.851 1.00 0.00 C ATOM 921 CD GLU A 64 15.150 1.413 2.893 1.00 0.00 C ATOM 922 OE1 GLU A 64 16.211 2.066 2.970 1.00 0.00 O ATOM 923 OE2 GLU A 64 14.036 1.976 2.842 1.00 0.00 O ATOM 0 H GLU A 64 15.624 -2.258 -0.441 1.00 0.00 H new ATOM 0 HA GLU A 64 13.641 -0.563 0.731 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.876 -1.772 1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.604 -0.237 1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.244 -0.527 3.105 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.918 -0.460 3.620 1.00 0.00 H new ATOM 930 N ASP A 65 15.596 0.779 -1.520 1.00 0.00 N ATOM 931 CA ASP A 65 15.778 1.953 -2.392 1.00 0.00 C ATOM 932 C ASP A 65 14.443 2.307 -3.066 1.00 0.00 C ATOM 933 O ASP A 65 14.043 3.473 -3.093 1.00 0.00 O ATOM 934 CB ASP A 65 16.873 1.663 -3.447 1.00 0.00 C ATOM 935 CG ASP A 65 17.173 2.868 -4.355 1.00 0.00 C ATOM 936 OD1 ASP A 65 17.948 3.759 -3.945 1.00 0.00 O ATOM 937 OD2 ASP A 65 16.629 2.933 -5.477 1.00 0.00 O ATOM 0 H ASP A 65 16.113 -0.045 -1.826 1.00 0.00 H new ATOM 0 HA ASP A 65 16.100 2.806 -1.794 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.789 1.363 -2.938 1.00 0.00 H new ATOM 0 HB3 ASP A 65 16.560 0.820 -4.064 1.00 0.00 H new ATOM 942 N GLU A 66 13.785 1.274 -3.617 1.00 0.00 N ATOM 943 CA GLU A 66 12.410 1.373 -4.145 1.00 0.00 C ATOM 944 C GLU A 66 11.414 1.922 -3.102 1.00 0.00 C ATOM 945 O GLU A 66 10.512 2.689 -3.455 1.00 0.00 O ATOM 946 CB GLU A 66 11.918 0.003 -4.677 1.00 0.00 C ATOM 947 CG GLU A 66 12.834 -0.635 -5.736 1.00 0.00 C ATOM 948 CD GLU A 66 13.137 0.293 -6.924 1.00 0.00 C ATOM 949 OE1 GLU A 66 12.191 0.685 -7.635 1.00 0.00 O ATOM 950 OE2 GLU A 66 14.315 0.633 -7.151 1.00 0.00 O ATOM 0 H GLU A 66 14.191 0.343 -3.710 1.00 0.00 H new ATOM 0 HA GLU A 66 12.448 2.084 -4.970 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.820 -0.685 -3.837 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.923 0.129 -5.104 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.772 -0.927 -5.265 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.367 -1.547 -6.107 1.00 0.00 H new ATOM 957 N VAL A 67 11.584 1.523 -1.824 1.00 0.00 N ATOM 958 CA VAL A 67 10.752 2.020 -0.705 1.00 0.00 C ATOM 959 C VAL A 67 10.897 3.550 -0.578 1.00 0.00 C ATOM 960 O VAL A 67 9.908 4.257 -0.441 1.00 0.00 O ATOM 961 CB VAL A 67 11.150 1.316 0.645 1.00 0.00 C ATOM 962 CG1 VAL A 67 10.435 1.932 1.872 1.00 0.00 C ATOM 963 CG2 VAL A 67 10.882 -0.202 0.565 1.00 0.00 C ATOM 0 H VAL A 67 12.297 0.852 -1.539 1.00 0.00 H new ATOM 0 HA VAL A 67 9.710 1.780 -0.916 1.00 0.00 H new ATOM 0 HB VAL A 67 12.218 1.482 0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.747 1.408 2.776 1.00 0.00 H new ATOM 0 HG12 VAL A 67 10.698 2.987 1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.356 1.836 1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.163 -0.671 1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.823 -0.375 0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.470 -0.633 -0.245 1.00 0.00 H new ATOM 973 N LYS A 68 12.149 4.019 -0.634 1.00 0.00 N ATOM 974 CA LYS A 68 12.489 5.458 -0.630 1.00 0.00 C ATOM 975 C LYS A 68 11.886 6.217 -1.847 1.00 0.00 C ATOM 976 O LYS A 68 11.445 7.363 -1.712 1.00 0.00 O ATOM 977 CB LYS A 68 14.035 5.619 -0.556 1.00 0.00 C ATOM 978 CG LYS A 68 14.656 5.063 0.751 1.00 0.00 C ATOM 979 CD LYS A 68 14.207 5.860 2.004 1.00 0.00 C ATOM 980 CE LYS A 68 14.618 5.192 3.330 1.00 0.00 C ATOM 981 NZ LYS A 68 16.077 4.943 3.417 1.00 0.00 N ATOM 0 H LYS A 68 12.966 3.410 -0.684 1.00 0.00 H new ATOM 0 HA LYS A 68 12.039 5.915 0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.486 5.110 -1.408 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.286 6.676 -0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.373 4.017 0.868 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.743 5.093 0.675 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.635 6.862 1.962 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.123 5.975 1.984 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.312 5.826 4.162 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.085 4.247 3.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.423 5.232 4.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.265 3.930 3.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.567 5.492 2.682 1.00 0.00 H new ATOM 995 N LEU A 69 11.867 5.567 -3.025 1.00 0.00 N ATOM 996 CA LEU A 69 11.227 6.113 -4.256 1.00 0.00 C ATOM 997 C LEU A 69 9.689 6.233 -4.099 1.00 0.00 C ATOM 998 O LEU A 69 9.046 7.091 -4.712 1.00 0.00 O ATOM 999 CB LEU A 69 11.577 5.211 -5.472 1.00 0.00 C ATOM 1000 CG LEU A 69 13.101 5.080 -5.809 1.00 0.00 C ATOM 1001 CD1 LEU A 69 13.346 4.043 -6.922 1.00 0.00 C ATOM 1002 CD2 LEU A 69 13.719 6.452 -6.168 1.00 0.00 C ATOM 0 H LEU A 69 12.292 4.649 -3.160 1.00 0.00 H new ATOM 0 HA LEU A 69 11.617 7.117 -4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 69 11.178 4.214 -5.287 1.00 0.00 H new ATOM 0 HB3 LEU A 69 11.063 5.602 -6.350 1.00 0.00 H new ATOM 0 HG LEU A 69 13.604 4.719 -4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 69 14.414 3.978 -7.130 1.00 0.00 H new ATOM 0 HD12 LEU A 69 12.979 3.069 -6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.818 4.348 -7.826 1.00 0.00 H new ATOM 0 HD21 LEU A 69 14.777 6.326 -6.396 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.207 6.866 -7.037 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.609 7.133 -5.324 1.00 0.00 H new ATOM 1014 N ALA A 70 9.124 5.314 -3.318 1.00 0.00 N ATOM 1015 CA ALA A 70 7.714 5.375 -2.894 1.00 0.00 C ATOM 1016 C ALA A 70 7.501 6.551 -1.905 1.00 0.00 C ATOM 1017 O ALA A 70 6.537 7.319 -2.031 1.00 0.00 O ATOM 1018 CB ALA A 70 7.284 4.031 -2.288 1.00 0.00 C ATOM 0 H ALA A 70 9.626 4.503 -2.957 1.00 0.00 H new ATOM 0 HA ALA A 70 7.084 5.560 -3.764 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.240 4.089 -1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.399 3.243 -3.032 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.907 3.806 -1.422 1.00 0.00 H new ATOM 1024 N LEU A 71 8.440 6.687 -0.946 1.00 0.00 N ATOM 1025 CA LEU A 71 8.420 7.745 0.096 1.00 0.00 C ATOM 1026 C LEU A 71 8.602 9.164 -0.487 1.00 0.00 C ATOM 1027 O LEU A 71 8.143 10.131 0.109 1.00 0.00 O ATOM 1028 CB LEU A 71 9.514 7.475 1.172 1.00 0.00 C ATOM 1029 CG LEU A 71 9.337 6.173 2.014 1.00 0.00 C ATOM 1030 CD1 LEU A 71 10.506 5.971 3.001 1.00 0.00 C ATOM 1031 CD2 LEU A 71 7.980 6.167 2.737 1.00 0.00 C ATOM 0 H LEU A 71 9.242 6.062 -0.869 1.00 0.00 H new ATOM 0 HA LEU A 71 7.433 7.706 0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.483 7.434 0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.542 8.325 1.854 1.00 0.00 H new ATOM 0 HG LEU A 71 9.351 5.328 1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.348 5.055 3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.442 5.897 2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.555 6.818 3.685 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.881 5.249 3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.920 7.026 3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.176 6.221 2.003 1.00 0.00 H new ATOM 1043 N LYS A 72 9.265 9.291 -1.656 1.00 0.00 N ATOM 1044 CA LYS A 72 9.500 10.618 -2.281 1.00 0.00 C ATOM 1045 C LYS A 72 8.210 11.110 -2.971 1.00 0.00 C ATOM 1046 O LYS A 72 8.077 12.299 -3.281 1.00 0.00 O ATOM 1047 CB LYS A 72 10.698 10.583 -3.279 1.00 0.00 C ATOM 1048 CG LYS A 72 10.392 9.936 -4.641 1.00 0.00 C ATOM 1049 CD LYS A 72 11.624 9.846 -5.563 1.00 0.00 C ATOM 1050 CE LYS A 72 11.275 9.252 -6.939 1.00 0.00 C ATOM 1051 NZ LYS A 72 10.307 10.099 -7.679 1.00 0.00 N ATOM 0 H LYS A 72 9.644 8.504 -2.183 1.00 0.00 H new ATOM 0 HA LYS A 72 9.767 11.323 -1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.041 11.604 -3.448 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.523 10.043 -2.814 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.994 8.934 -4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.613 10.511 -5.142 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.051 10.840 -5.695 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.389 9.232 -5.087 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.185 9.142 -7.528 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.858 8.254 -6.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.265 9.792 -8.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.365 10.007 -7.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.612 11.092 -7.637 1.00 0.00 H new ATOM 1065 N LYS A 73 7.266 10.169 -3.203 1.00 0.00 N ATOM 1066 CA LYS A 73 5.943 10.449 -3.792 1.00 0.00 C ATOM 1067 C LYS A 73 4.873 10.646 -2.688 1.00 0.00 C ATOM 1068 O LYS A 73 3.693 10.891 -2.979 1.00 0.00 O ATOM 1069 CB LYS A 73 5.577 9.305 -4.784 1.00 0.00 C ATOM 1070 CG LYS A 73 4.424 9.668 -5.745 1.00 0.00 C ATOM 1071 CD LYS A 73 4.372 8.782 -7.007 1.00 0.00 C ATOM 1072 CE LYS A 73 3.354 9.298 -8.042 1.00 0.00 C ATOM 1073 NZ LYS A 73 3.493 8.614 -9.352 1.00 0.00 N ATOM 0 H LYS A 73 7.407 9.183 -2.983 1.00 0.00 H new ATOM 0 HA LYS A 73 5.976 11.385 -4.350 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.459 9.046 -5.369 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.300 8.417 -4.216 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.477 9.583 -5.212 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.528 10.710 -6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.362 8.743 -7.462 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.112 7.763 -6.722 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.344 9.149 -7.661 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.488 10.371 -8.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.812 9.016 -10.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.459 8.749 -9.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.306 7.598 -9.235 1.00 0.00 H new ATOM 1087 N ASP A 74 5.310 10.544 -1.417 1.00 0.00 N ATOM 1088 CA ASP A 74 4.496 10.930 -0.245 1.00 0.00 C ATOM 1089 C ASP A 74 4.121 12.430 -0.324 1.00 0.00 C ATOM 1090 O ASP A 74 4.973 13.282 -0.044 1.00 0.00 O ATOM 1091 CB ASP A 74 5.270 10.627 1.068 1.00 0.00 C ATOM 1092 CG ASP A 74 4.637 11.265 2.320 1.00 0.00 C ATOM 1093 OD1 ASP A 74 3.543 10.849 2.715 1.00 0.00 O ATOM 1094 OD2 ASP A 74 5.217 12.212 2.892 1.00 0.00 O ATOM 0 H ASP A 74 6.236 10.192 -1.173 1.00 0.00 H new ATOM 0 HA ASP A 74 3.576 10.345 -0.246 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.322 9.547 1.208 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.294 10.985 0.967 1.00 0.00 H new ATOM 1099 N ARG A 75 2.856 12.684 -0.753 1.00 0.00 N ATOM 1100 CA ARG A 75 2.217 14.030 -0.945 1.00 0.00 C ATOM 1101 C ARG A 75 1.170 13.917 -2.061 1.00 0.00 C ATOM 1102 O ARG A 75 0.041 14.413 -1.934 1.00 0.00 O ATOM 1103 CB ARG A 75 3.225 15.163 -1.327 1.00 0.00 C ATOM 1104 CG ARG A 75 2.656 16.598 -1.360 1.00 0.00 C ATOM 1105 CD ARG A 75 3.731 17.649 -1.699 1.00 0.00 C ATOM 1106 NE ARG A 75 3.210 19.025 -1.586 1.00 0.00 N ATOM 1107 CZ ARG A 75 3.400 20.010 -2.481 1.00 0.00 C ATOM 1108 NH1 ARG A 75 4.000 19.773 -3.641 1.00 0.00 N ATOM 1109 NH2 ARG A 75 2.938 21.222 -2.223 1.00 0.00 N ATOM 0 H ARG A 75 2.217 11.925 -0.988 1.00 0.00 H new ATOM 0 HA ARG A 75 1.777 14.308 0.013 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.053 15.139 -0.618 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.640 14.936 -2.309 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.855 16.651 -2.097 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.215 16.833 -0.392 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.582 17.527 -1.029 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.096 17.481 -2.712 1.00 0.00 H new ATOM 0 HE ARG A 75 2.658 19.248 -0.758 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.325 18.832 -3.864 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.136 20.532 -4.309 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.442 21.404 -1.350 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.078 21.975 -2.897 1.00 0.00 H new ATOM 1123 N GLU A 76 1.583 13.229 -3.144 1.00 0.00 N ATOM 1124 CA GLU A 76 0.885 13.205 -4.443 1.00 0.00 C ATOM 1125 C GLU A 76 -0.588 12.762 -4.334 1.00 0.00 C ATOM 1126 O GLU A 76 -0.949 11.927 -3.500 1.00 0.00 O ATOM 1127 CB GLU A 76 1.662 12.286 -5.424 1.00 0.00 C ATOM 1128 CG GLU A 76 1.136 12.238 -6.878 1.00 0.00 C ATOM 1129 CD GLU A 76 1.236 13.586 -7.619 1.00 0.00 C ATOM 1130 OE1 GLU A 76 0.299 14.413 -7.524 1.00 0.00 O ATOM 1131 OE2 GLU A 76 2.262 13.824 -8.297 1.00 0.00 O ATOM 0 H GLU A 76 2.431 12.662 -3.139 1.00 0.00 H new ATOM 0 HA GLU A 76 0.863 14.227 -4.822 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.702 12.611 -5.447 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.654 11.272 -5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.697 11.486 -7.433 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.095 11.916 -6.868 1.00 0.00 H new ATOM 1138 N THR A 77 -1.412 13.337 -5.224 1.00 0.00 N ATOM 1139 CA THR A 77 -2.860 13.123 -5.270 1.00 0.00 C ATOM 1140 C THR A 77 -3.199 11.919 -6.166 1.00 0.00 C ATOM 1141 O THR A 77 -2.866 11.907 -7.357 1.00 0.00 O ATOM 1142 CB THR A 77 -3.605 14.404 -5.778 1.00 0.00 C ATOM 1143 OG1 THR A 77 -2.987 14.901 -6.982 1.00 0.00 O ATOM 1144 CG2 THR A 77 -3.607 15.511 -4.717 1.00 0.00 C ATOM 0 H THR A 77 -1.079 13.977 -5.945 1.00 0.00 H new ATOM 0 HA THR A 77 -3.199 12.913 -4.256 1.00 0.00 H new ATOM 0 HB THR A 77 -4.637 14.120 -5.985 1.00 0.00 H new ATOM 0 HG1 THR A 77 -2.761 14.149 -7.568 1.00 0.00 H new ATOM 0 HG21 THR A 77 -4.132 16.384 -5.104 1.00 0.00 H new ATOM 0 HG22 THR A 77 -4.110 15.153 -3.819 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.580 15.783 -4.473 1.00 0.00 H new ATOM 1152 N MET A 78 -3.848 10.911 -5.566 1.00 0.00 N ATOM 1153 CA MET A 78 -4.284 9.681 -6.248 1.00 0.00 C ATOM 1154 C MET A 78 -5.794 9.510 -6.027 1.00 0.00 C ATOM 1155 O MET A 78 -6.270 9.538 -4.881 1.00 0.00 O ATOM 1156 CB MET A 78 -3.484 8.474 -5.691 1.00 0.00 C ATOM 1157 CG MET A 78 -3.767 7.095 -6.316 1.00 0.00 C ATOM 1158 SD MET A 78 -5.387 6.449 -5.869 1.00 0.00 S ATOM 1159 CE MET A 78 -5.196 4.723 -6.268 1.00 0.00 C ATOM 0 H MET A 78 -4.090 10.927 -4.575 1.00 0.00 H new ATOM 0 HA MET A 78 -4.094 9.741 -7.320 1.00 0.00 H new ATOM 0 HB2 MET A 78 -2.422 8.688 -5.811 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.677 8.406 -4.620 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.698 7.171 -7.401 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.999 6.391 -5.996 1.00 0.00 H new ATOM 0 HE1 MET A 78 -5.907 4.449 -7.048 1.00 0.00 H new ATOM 0 HE2 MET A 78 -4.181 4.542 -6.622 1.00 0.00 H new ATOM 0 HE3 MET A 78 -5.383 4.121 -5.379 1.00 0.00 H new ATOM 1169 N GLY A 79 -6.537 9.380 -7.138 1.00 0.00 N ATOM 1170 CA GLY A 79 -7.991 9.219 -7.119 1.00 0.00 C ATOM 1171 C GLY A 79 -8.721 10.549 -7.044 1.00 0.00 C ATOM 1172 O GLY A 79 -9.622 10.818 -7.850 1.00 0.00 O ATOM 0 H GLY A 79 -6.139 9.384 -8.077 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.306 8.685 -8.015 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.274 8.604 -6.265 1.00 0.00 H new ATOM 1176 N HIS A 80 -8.301 11.382 -6.078 1.00 0.00 N ATOM 1177 CA HIS A 80 -8.853 12.725 -5.828 1.00 0.00 C ATOM 1178 C HIS A 80 -8.092 13.364 -4.659 1.00 0.00 C ATOM 1179 O HIS A 80 -7.772 14.557 -4.678 1.00 0.00 O ATOM 1180 CB HIS A 80 -10.374 12.658 -5.497 1.00 0.00 C ATOM 1181 CG HIS A 80 -11.029 13.986 -5.211 1.00 0.00 C ATOM 1182 ND1 HIS A 80 -11.639 14.278 -4.010 1.00 0.00 N ATOM 1183 CD2 HIS A 80 -11.179 15.093 -5.980 1.00 0.00 C ATOM 1184 CE1 HIS A 80 -12.138 15.499 -4.054 1.00 0.00 C ATOM 1185 NE2 HIS A 80 -11.869 16.014 -5.237 1.00 0.00 N ATOM 0 H HIS A 80 -7.550 11.135 -5.433 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.735 13.327 -6.729 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -10.891 12.189 -6.334 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.513 12.009 -4.632 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -10.821 15.224 -6.990 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -12.675 15.992 -3.257 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.132 16.949 -5.549 1.00 0.00 H new ATOM 1194 N ARG A 81 -7.805 12.530 -3.643 1.00 0.00 N ATOM 1195 CA ARG A 81 -7.222 12.962 -2.366 1.00 0.00 C ATOM 1196 C ARG A 81 -5.692 12.901 -2.383 1.00 0.00 C ATOM 1197 O ARG A 81 -5.096 12.278 -3.258 1.00 0.00 O ATOM 1198 CB ARG A 81 -7.766 12.080 -1.210 1.00 0.00 C ATOM 1199 CG ARG A 81 -9.298 12.132 -1.044 1.00 0.00 C ATOM 1200 CD ARG A 81 -9.773 11.448 0.245 1.00 0.00 C ATOM 1201 NE ARG A 81 -9.465 10.003 0.279 1.00 0.00 N ATOM 1202 CZ ARG A 81 -9.243 9.285 1.390 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -9.126 9.870 2.579 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -9.108 7.976 1.300 1.00 0.00 N ATOM 0 H ARG A 81 -7.975 11.525 -3.689 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.512 14.001 -2.209 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.465 11.047 -1.384 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.300 12.395 -0.277 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.625 13.172 -1.041 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.770 11.652 -1.901 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -9.305 11.934 1.101 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -10.849 11.587 0.348 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.417 9.512 -0.614 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.205 10.884 2.659 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.957 9.305 3.411 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.173 7.518 0.391 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.939 7.422 2.139 1.00 0.00 H new ATOM 1218 N TYR A 82 -5.090 13.534 -1.362 1.00 0.00 N ATOM 1219 CA TYR A 82 -3.641 13.497 -1.116 1.00 0.00 C ATOM 1220 C TYR A 82 -3.308 12.148 -0.466 1.00 0.00 C ATOM 1221 O TYR A 82 -4.078 11.666 0.375 1.00 0.00 O ATOM 1222 CB TYR A 82 -3.216 14.662 -0.181 1.00 0.00 C ATOM 1223 CG TYR A 82 -3.495 16.066 -0.748 1.00 0.00 C ATOM 1224 CD1 TYR A 82 -4.715 16.715 -0.532 1.00 0.00 C ATOM 1225 CD2 TYR A 82 -2.534 16.740 -1.502 1.00 0.00 C ATOM 1226 CE1 TYR A 82 -4.962 17.975 -1.047 1.00 0.00 C ATOM 1227 CE2 TYR A 82 -2.777 18.001 -2.018 1.00 0.00 C ATOM 1228 CZ TYR A 82 -3.990 18.614 -1.788 1.00 0.00 C ATOM 1229 OH TYR A 82 -4.232 19.879 -2.298 1.00 0.00 O ATOM 0 H TYR A 82 -5.602 14.091 -0.678 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.100 13.611 -2.055 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.738 14.557 0.770 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.150 14.573 0.029 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -5.480 16.222 0.049 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -1.580 16.268 -1.687 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.912 18.456 -0.869 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -2.018 18.503 -2.599 1.00 0.00 H new ATOM 0 HH TYR A 82 -3.445 20.188 -2.794 1.00 0.00 H new ATOM 1239 N VAL A 83 -2.192 11.523 -0.864 1.00 0.00 N ATOM 1240 CA VAL A 83 -1.801 10.200 -0.351 1.00 0.00 C ATOM 1241 C VAL A 83 -0.537 10.306 0.515 1.00 0.00 C ATOM 1242 O VAL A 83 0.473 10.901 0.107 1.00 0.00 O ATOM 1243 CB VAL A 83 -1.596 9.166 -1.522 1.00 0.00 C ATOM 1244 CG1 VAL A 83 -0.956 7.831 -1.039 1.00 0.00 C ATOM 1245 CG2 VAL A 83 -2.942 8.888 -2.231 1.00 0.00 C ATOM 0 H VAL A 83 -1.540 11.914 -1.544 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.615 9.831 0.274 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.898 9.617 -2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.838 7.156 -1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.020 8.034 -0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.601 7.367 -0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.787 8.172 -3.038 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.653 8.478 -1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.336 9.818 -2.641 1.00 0.00 H new ATOM 1255 N GLU A 84 -0.626 9.717 1.721 1.00 0.00 N ATOM 1256 CA GLU A 84 0.487 9.577 2.652 1.00 0.00 C ATOM 1257 C GLU A 84 1.119 8.189 2.478 1.00 0.00 C ATOM 1258 O GLU A 84 0.452 7.161 2.626 1.00 0.00 O ATOM 1259 CB GLU A 84 0.028 9.775 4.128 1.00 0.00 C ATOM 1260 CG GLU A 84 -0.486 11.192 4.483 1.00 0.00 C ATOM 1261 CD GLU A 84 -1.929 11.498 4.032 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -2.869 11.175 4.786 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -2.132 12.080 2.944 1.00 0.00 O ATOM 0 H GLU A 84 -1.496 9.319 2.075 1.00 0.00 H new ATOM 0 HA GLU A 84 1.222 10.351 2.430 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.763 9.056 4.344 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.864 9.536 4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.424 11.324 5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.182 11.927 4.034 1.00 0.00 H new ATOM 1270 N VAL A 85 2.413 8.191 2.158 1.00 0.00 N ATOM 1271 CA VAL A 85 3.212 6.989 1.969 1.00 0.00 C ATOM 1272 C VAL A 85 4.197 6.903 3.147 1.00 0.00 C ATOM 1273 O VAL A 85 5.076 7.762 3.291 1.00 0.00 O ATOM 1274 CB VAL A 85 3.983 6.998 0.599 1.00 0.00 C ATOM 1275 CG1 VAL A 85 4.745 5.667 0.389 1.00 0.00 C ATOM 1276 CG2 VAL A 85 3.023 7.294 -0.587 1.00 0.00 C ATOM 0 H VAL A 85 2.944 9.051 2.021 1.00 0.00 H new ATOM 0 HA VAL A 85 2.558 6.117 1.942 1.00 0.00 H new ATOM 0 HB VAL A 85 4.717 7.803 0.631 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.271 5.696 -0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.464 5.528 1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.037 4.838 0.388 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.586 7.293 -1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.250 6.527 -0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.559 8.270 -0.444 1.00 0.00 H new ATOM 1286 N PHE A 86 4.011 5.891 4.006 1.00 0.00 N ATOM 1287 CA PHE A 86 4.879 5.627 5.172 1.00 0.00 C ATOM 1288 C PHE A 86 5.796 4.451 4.823 1.00 0.00 C ATOM 1289 O PHE A 86 5.685 3.882 3.737 1.00 0.00 O ATOM 1290 CB PHE A 86 4.036 5.260 6.427 1.00 0.00 C ATOM 1291 CG PHE A 86 2.979 6.281 6.832 1.00 0.00 C ATOM 1292 CD1 PHE A 86 1.727 6.300 6.211 1.00 0.00 C ATOM 1293 CD2 PHE A 86 3.226 7.213 7.838 1.00 0.00 C ATOM 1294 CE1 PHE A 86 0.767 7.218 6.582 1.00 0.00 C ATOM 1295 CE2 PHE A 86 2.262 8.130 8.209 1.00 0.00 C ATOM 1296 CZ PHE A 86 1.033 8.133 7.581 1.00 0.00 C ATOM 0 H PHE A 86 3.246 5.223 3.913 1.00 0.00 H new ATOM 0 HA PHE A 86 5.456 6.523 5.401 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.542 4.305 6.245 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.714 5.113 7.268 1.00 0.00 H new ATOM 0 HD1 PHE A 86 1.508 5.586 5.430 1.00 0.00 H new ATOM 0 HD2 PHE A 86 4.185 7.218 8.335 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -0.195 7.221 6.090 1.00 0.00 H new ATOM 0 HE2 PHE A 86 2.470 8.845 8.991 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.280 8.851 7.871 1.00 0.00 H new ATOM 1306 N LYS A 87 6.686 4.076 5.743 1.00 0.00 N ATOM 1307 CA LYS A 87 7.560 2.906 5.574 1.00 0.00 C ATOM 1308 C LYS A 87 7.111 1.830 6.558 1.00 0.00 C ATOM 1309 O LYS A 87 7.113 2.051 7.763 1.00 0.00 O ATOM 1310 CB LYS A 87 9.046 3.275 5.792 1.00 0.00 C ATOM 1311 CG LYS A 87 10.022 2.086 5.660 1.00 0.00 C ATOM 1312 CD LYS A 87 11.495 2.510 5.792 1.00 0.00 C ATOM 1313 CE LYS A 87 12.461 1.324 5.681 1.00 0.00 C ATOM 1314 NZ LYS A 87 13.863 1.779 5.760 1.00 0.00 N ATOM 0 H LYS A 87 6.824 4.570 6.624 1.00 0.00 H new ATOM 0 HA LYS A 87 7.478 2.533 4.553 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.327 4.042 5.071 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.158 3.713 6.784 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.791 1.345 6.426 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.872 1.604 4.694 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.730 3.240 5.017 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.642 3.006 6.752 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.260 0.610 6.480 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.296 0.802 4.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.499 0.960 5.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 14.057 2.442 4.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.022 2.256 6.670 1.00 0.00 H new ATOM 1328 N SER A 88 6.737 0.682 6.023 1.00 0.00 N ATOM 1329 CA SER A 88 6.167 -0.423 6.790 1.00 0.00 C ATOM 1330 C SER A 88 7.132 -1.606 6.859 1.00 0.00 C ATOM 1331 O SER A 88 7.898 -1.866 5.931 1.00 0.00 O ATOM 1332 CB SER A 88 4.829 -0.842 6.165 1.00 0.00 C ATOM 1333 OG SER A 88 3.913 0.235 6.193 1.00 0.00 O ATOM 0 H SER A 88 6.820 0.483 5.026 1.00 0.00 H new ATOM 0 HA SER A 88 5.994 -0.088 7.813 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.987 -1.167 5.137 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.417 -1.692 6.708 1.00 0.00 H new ATOM 0 HG SER A 88 3.641 0.409 7.118 1.00 0.00 H new ATOM 1339 N ASN A 89 7.063 -2.315 7.979 1.00 0.00 N ATOM 1340 CA ASN A 89 7.823 -3.549 8.210 1.00 0.00 C ATOM 1341 C ASN A 89 6.944 -4.725 7.754 1.00 0.00 C ATOM 1342 O ASN A 89 5.720 -4.583 7.719 1.00 0.00 O ATOM 1343 CB ASN A 89 8.201 -3.626 9.723 1.00 0.00 C ATOM 1344 CG ASN A 89 9.245 -4.700 10.082 1.00 0.00 C ATOM 1345 OD1 ASN A 89 9.231 -5.813 9.567 1.00 0.00 O ATOM 1346 ND2 ASN A 89 10.182 -4.354 10.957 1.00 0.00 N ATOM 0 H ASN A 89 6.471 -2.050 8.766 1.00 0.00 H new ATOM 0 HA ASN A 89 8.754 -3.578 7.644 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.580 -2.654 10.037 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.295 -3.815 10.299 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.911 -5.020 11.214 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.173 -3.422 11.372 1.00 0.00 H new ATOM 1353 N ASN A 90 7.562 -5.867 7.389 1.00 0.00 N ATOM 1354 CA ASN A 90 6.830 -7.122 7.058 1.00 0.00 C ATOM 1355 C ASN A 90 5.930 -7.542 8.242 1.00 0.00 C ATOM 1356 O ASN A 90 4.820 -8.042 8.054 1.00 0.00 O ATOM 1357 CB ASN A 90 7.838 -8.261 6.727 1.00 0.00 C ATOM 1358 CG ASN A 90 7.174 -9.602 6.366 1.00 0.00 C ATOM 1359 OD1 ASN A 90 6.903 -9.891 5.205 1.00 0.00 O ATOM 1360 ND2 ASN A 90 6.900 -10.426 7.364 1.00 0.00 N ATOM 0 H ASN A 90 8.576 -5.953 7.314 1.00 0.00 H new ATOM 0 HA ASN A 90 6.204 -6.940 6.185 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.468 -7.944 5.896 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.494 -8.412 7.584 1.00 0.00 H new ATOM 0 HD21 ASN A 90 6.454 -11.324 7.176 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.135 -10.164 8.321 1.00 0.00 H new ATOM 1367 N VAL A 91 6.445 -7.279 9.457 1.00 0.00 N ATOM 1368 CA VAL A 91 5.756 -7.580 10.718 1.00 0.00 C ATOM 1369 C VAL A 91 4.502 -6.701 10.882 1.00 0.00 C ATOM 1370 O VAL A 91 3.419 -7.217 11.189 1.00 0.00 O ATOM 1371 CB VAL A 91 6.707 -7.413 11.956 1.00 0.00 C ATOM 1372 CG1 VAL A 91 5.979 -7.784 13.267 1.00 0.00 C ATOM 1373 CG2 VAL A 91 7.992 -8.256 11.780 1.00 0.00 C ATOM 0 H VAL A 91 7.360 -6.848 9.588 1.00 0.00 H new ATOM 0 HA VAL A 91 5.447 -8.624 10.675 1.00 0.00 H new ATOM 0 HB VAL A 91 6.997 -6.364 12.019 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.660 -7.660 14.109 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.115 -7.133 13.400 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.648 -8.821 13.218 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.635 -8.124 12.650 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.726 -9.308 11.681 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.521 -7.930 10.885 1.00 0.00 H new ATOM 1383 N GLU A 92 4.652 -5.384 10.620 1.00 0.00 N ATOM 1384 CA GLU A 92 3.545 -4.414 10.761 1.00 0.00 C ATOM 1385 C GLU A 92 2.454 -4.704 9.714 1.00 0.00 C ATOM 1386 O GLU A 92 1.292 -4.865 10.059 1.00 0.00 O ATOM 1387 CB GLU A 92 4.038 -2.949 10.604 1.00 0.00 C ATOM 1388 CG GLU A 92 2.900 -1.903 10.672 1.00 0.00 C ATOM 1389 CD GLU A 92 3.373 -0.463 10.443 1.00 0.00 C ATOM 1390 OE1 GLU A 92 3.741 -0.133 9.297 1.00 0.00 O ATOM 1391 OE2 GLU A 92 3.377 0.346 11.398 1.00 0.00 O ATOM 0 H GLU A 92 5.530 -4.968 10.309 1.00 0.00 H new ATOM 0 HA GLU A 92 3.136 -4.527 11.765 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.766 -2.733 11.386 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.556 -2.849 9.650 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.145 -2.151 9.926 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.417 -1.967 11.647 1.00 0.00 H new ATOM 1398 N MET A 93 2.886 -4.796 8.443 1.00 0.00 N ATOM 1399 CA MET A 93 2.024 -5.075 7.279 1.00 0.00 C ATOM 1400 C MET A 93 1.119 -6.301 7.530 1.00 0.00 C ATOM 1401 O MET A 93 -0.106 -6.193 7.454 1.00 0.00 O ATOM 1402 CB MET A 93 2.927 -5.272 6.022 1.00 0.00 C ATOM 1403 CG MET A 93 2.234 -5.827 4.762 1.00 0.00 C ATOM 1404 SD MET A 93 2.053 -7.621 4.776 1.00 0.00 S ATOM 1405 CE MET A 93 3.770 -8.152 4.762 1.00 0.00 C ATOM 0 H MET A 93 3.867 -4.676 8.191 1.00 0.00 H new ATOM 0 HA MET A 93 1.357 -4.230 7.110 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.376 -4.311 5.770 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.742 -5.945 6.289 1.00 0.00 H new ATOM 0 HG2 MET A 93 1.249 -5.371 4.667 1.00 0.00 H new ATOM 0 HG3 MET A 93 2.807 -5.534 3.882 1.00 0.00 H new ATOM 0 HE1 MET A 93 3.927 -8.856 3.944 1.00 0.00 H new ATOM 0 HE2 MET A 93 4.418 -7.286 4.624 1.00 0.00 H new ATOM 0 HE3 MET A 93 4.009 -8.637 5.709 1.00 0.00 H new ATOM 1415 N ASP A 94 1.750 -7.425 7.909 1.00 0.00 N ATOM 1416 CA ASP A 94 1.061 -8.699 8.209 1.00 0.00 C ATOM 1417 C ASP A 94 0.018 -8.532 9.336 1.00 0.00 C ATOM 1418 O ASP A 94 -1.113 -9.016 9.222 1.00 0.00 O ATOM 1419 CB ASP A 94 2.120 -9.765 8.597 1.00 0.00 C ATOM 1420 CG ASP A 94 1.521 -11.144 8.951 1.00 0.00 C ATOM 1421 OD1 ASP A 94 1.179 -11.903 8.024 1.00 0.00 O ATOM 1422 OD2 ASP A 94 1.407 -11.478 10.154 1.00 0.00 O ATOM 0 H ASP A 94 2.763 -7.479 8.018 1.00 0.00 H new ATOM 0 HA ASP A 94 0.520 -9.022 7.320 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.820 -9.885 7.770 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.693 -9.400 9.449 1.00 0.00 H new ATOM 1427 N TRP A 95 0.404 -7.792 10.388 1.00 0.00 N ATOM 1428 CA TRP A 95 -0.417 -7.629 11.607 1.00 0.00 C ATOM 1429 C TRP A 95 -1.616 -6.698 11.390 1.00 0.00 C ATOM 1430 O TRP A 95 -2.667 -6.930 11.964 1.00 0.00 O ATOM 1431 CB TRP A 95 0.448 -7.122 12.797 1.00 0.00 C ATOM 1432 CG TRP A 95 1.321 -8.182 13.437 1.00 0.00 C ATOM 1433 CD1 TRP A 95 1.429 -9.496 13.079 1.00 0.00 C ATOM 1434 CD2 TRP A 95 2.183 -8.009 14.562 1.00 0.00 C ATOM 1435 NE1 TRP A 95 2.318 -10.137 13.896 1.00 0.00 N ATOM 1436 CE2 TRP A 95 2.789 -9.251 14.819 1.00 0.00 C ATOM 1437 CE3 TRP A 95 2.502 -6.923 15.377 1.00 0.00 C ATOM 1438 CZ2 TRP A 95 3.701 -9.439 15.851 1.00 0.00 C ATOM 1439 CZ3 TRP A 95 3.408 -7.111 16.402 1.00 0.00 C ATOM 1440 CH2 TRP A 95 3.996 -8.360 16.634 1.00 0.00 C ATOM 0 H TRP A 95 1.291 -7.290 10.421 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.812 -8.616 11.848 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.084 -6.309 12.447 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.212 -6.705 13.558 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.890 -9.961 12.267 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.586 -11.119 13.826 1.00 0.00 H new ATOM 0 HE3 TRP A 95 2.050 -5.956 15.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.159 -10.401 16.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.668 -6.277 17.038 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.697 -8.472 17.448 1.00 0.00 H new ATOM 1451 N VAL A 96 -1.451 -5.645 10.578 1.00 0.00 N ATOM 1452 CA VAL A 96 -2.521 -4.646 10.347 1.00 0.00 C ATOM 1453 C VAL A 96 -3.509 -5.149 9.261 1.00 0.00 C ATOM 1454 O VAL A 96 -4.671 -4.722 9.208 1.00 0.00 O ATOM 1455 CB VAL A 96 -1.933 -3.227 10.004 1.00 0.00 C ATOM 1456 CG1 VAL A 96 -3.047 -2.151 9.859 1.00 0.00 C ATOM 1457 CG2 VAL A 96 -0.896 -2.782 11.074 1.00 0.00 C ATOM 0 H VAL A 96 -0.589 -5.457 10.067 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.080 -4.528 11.275 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.432 -3.317 9.040 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.594 -1.188 9.622 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.728 -2.438 9.058 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.600 -2.072 10.795 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.504 -1.799 10.814 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.378 -2.734 12.050 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.077 -3.501 11.108 1.00 0.00 H new ATOM 1467 N LEU A 97 -3.048 -6.096 8.419 1.00 0.00 N ATOM 1468 CA LEU A 97 -3.930 -6.818 7.480 1.00 0.00 C ATOM 1469 C LEU A 97 -4.807 -7.833 8.253 1.00 0.00 C ATOM 1470 O LEU A 97 -6.002 -7.962 7.980 1.00 0.00 O ATOM 1471 CB LEU A 97 -3.103 -7.515 6.364 1.00 0.00 C ATOM 1472 CG LEU A 97 -2.370 -6.559 5.366 1.00 0.00 C ATOM 1473 CD1 LEU A 97 -1.465 -7.346 4.398 1.00 0.00 C ATOM 1474 CD2 LEU A 97 -3.370 -5.650 4.607 1.00 0.00 C ATOM 0 H LEU A 97 -2.069 -6.379 8.370 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.588 -6.099 6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.359 -8.157 6.836 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.769 -8.163 5.795 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.726 -5.904 5.953 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.970 -6.653 3.718 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.714 -7.895 4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.070 -8.048 3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.824 -5.000 3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.067 -6.269 4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.923 -5.041 5.322 1.00 0.00 H new ATOM 1486 N LYS A 98 -4.204 -8.524 9.243 1.00 0.00 N ATOM 1487 CA LYS A 98 -4.920 -9.501 10.101 1.00 0.00 C ATOM 1488 C LYS A 98 -5.775 -8.787 11.171 1.00 0.00 C ATOM 1489 O LYS A 98 -6.841 -9.272 11.559 1.00 0.00 O ATOM 1490 CB LYS A 98 -3.911 -10.457 10.796 1.00 0.00 C ATOM 1491 CG LYS A 98 -3.187 -11.436 9.840 1.00 0.00 C ATOM 1492 CD LYS A 98 -2.238 -12.403 10.591 1.00 0.00 C ATOM 1493 CE LYS A 98 -1.600 -13.453 9.660 1.00 0.00 C ATOM 1494 NZ LYS A 98 -2.615 -14.343 9.033 1.00 0.00 N ATOM 0 H LYS A 98 -3.215 -8.424 9.472 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.582 -10.080 9.457 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.163 -9.859 11.317 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -4.441 -11.035 11.553 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.928 -12.014 9.288 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.615 -10.867 9.107 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.450 -11.828 11.077 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.793 -12.912 11.379 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.033 -12.946 8.879 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.892 -14.057 10.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.135 -15.123 8.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.239 -14.730 9.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.180 -13.798 8.351 1.00 0.00 H new ATOM 1508 N HIS A 99 -5.295 -7.627 11.617 1.00 0.00 N ATOM 1509 CA HIS A 99 -5.857 -6.876 12.745 1.00 0.00 C ATOM 1510 C HIS A 99 -5.727 -5.381 12.428 1.00 0.00 C ATOM 1511 O HIS A 99 -4.695 -4.776 12.723 1.00 0.00 O ATOM 1512 CB HIS A 99 -5.097 -7.268 14.052 1.00 0.00 C ATOM 1513 CG HIS A 99 -5.552 -6.590 15.330 1.00 0.00 C ATOM 1514 ND1 HIS A 99 -6.330 -7.216 16.282 1.00 0.00 N ATOM 1515 CD2 HIS A 99 -5.283 -5.358 15.831 1.00 0.00 C ATOM 1516 CE1 HIS A 99 -6.517 -6.401 17.304 1.00 0.00 C ATOM 1517 NE2 HIS A 99 -5.891 -5.269 17.056 1.00 0.00 N ATOM 0 H HIS A 99 -4.486 -7.170 11.196 1.00 0.00 H new ATOM 0 HA HIS A 99 -6.911 -7.110 12.898 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -5.186 -8.346 14.188 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.038 -7.051 13.909 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -4.697 -4.588 15.352 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.087 -6.625 18.193 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -5.863 -4.458 17.675 1.00 0.00 H new ATOM 1526 N THR A 100 -6.760 -4.825 11.769 1.00 0.00 N ATOM 1527 CA THR A 100 -6.797 -3.413 11.343 1.00 0.00 C ATOM 1528 C THR A 100 -6.592 -2.457 12.548 1.00 0.00 C ATOM 1529 O THR A 100 -7.524 -2.137 13.293 1.00 0.00 O ATOM 1530 CB THR A 100 -8.114 -3.093 10.539 1.00 0.00 C ATOM 1531 OG1 THR A 100 -8.208 -1.691 10.244 1.00 0.00 O ATOM 1532 CG2 THR A 100 -9.388 -3.567 11.255 1.00 0.00 C ATOM 0 H THR A 100 -7.599 -5.347 11.515 1.00 0.00 H new ATOM 0 HA THR A 100 -5.964 -3.244 10.661 1.00 0.00 H new ATOM 0 HB THR A 100 -8.043 -3.655 9.608 1.00 0.00 H new ATOM 0 HG1 THR A 100 -9.032 -1.517 9.743 1.00 0.00 H new ATOM 0 HG21 THR A 100 -10.260 -3.317 10.650 1.00 0.00 H new ATOM 0 HG22 THR A 100 -9.344 -4.646 11.399 1.00 0.00 H new ATOM 0 HG23 THR A 100 -9.465 -3.074 12.224 1.00 0.00 H new ATOM 1540 N GLY A 101 -5.326 -2.058 12.756 1.00 0.00 N ATOM 1541 CA GLY A 101 -4.943 -1.218 13.876 1.00 0.00 C ATOM 1542 C GLY A 101 -3.604 -0.537 13.616 1.00 0.00 C ATOM 1543 O GLY A 101 -2.595 -1.231 13.529 1.00 0.00 O ATOM 0 H GLY A 101 -4.549 -2.314 12.147 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.711 -0.464 14.049 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.879 -1.821 14.782 1.00 0.00 H new ATOM 1547 N PRO A 102 -3.552 0.830 13.482 1.00 0.00 N ATOM 1548 CA PRO A 102 -2.285 1.568 13.235 1.00 0.00 C ATOM 1549 C PRO A 102 -1.399 1.709 14.500 1.00 0.00 C ATOM 1550 O PRO A 102 -0.319 2.309 14.439 1.00 0.00 O ATOM 1551 CB PRO A 102 -2.792 2.944 12.734 1.00 0.00 C ATOM 1552 CG PRO A 102 -4.100 3.141 13.450 1.00 0.00 C ATOM 1553 CD PRO A 102 -4.722 1.757 13.541 1.00 0.00 C ATOM 0 HA PRO A 102 -1.634 1.051 12.530 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -2.085 3.739 12.971 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -2.926 2.949 11.652 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -3.945 3.568 14.441 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -4.747 3.828 12.904 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.284 1.632 14.467 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -5.416 1.577 12.720 1.00 0.00 H new ATOM 1561 N ASN A 103 -1.873 1.161 15.636 1.00 0.00 N ATOM 1562 CA ASN A 103 -1.138 1.176 16.910 1.00 0.00 C ATOM 1563 C ASN A 103 0.079 0.232 16.826 1.00 0.00 C ATOM 1564 O ASN A 103 -0.076 -0.992 16.730 1.00 0.00 O ATOM 1565 CB ASN A 103 -2.079 0.770 18.080 1.00 0.00 C ATOM 1566 CG ASN A 103 -1.439 0.878 19.470 1.00 0.00 C ATOM 1567 OD1 ASN A 103 -0.559 1.709 19.709 1.00 0.00 O ATOM 1568 ND2 ASN A 103 -1.885 0.042 20.397 1.00 0.00 N ATOM 0 H ASN A 103 -2.779 0.695 15.693 1.00 0.00 H new ATOM 0 HA ASN A 103 -0.777 2.186 17.103 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.968 1.401 18.052 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -2.411 -0.256 17.924 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -1.499 0.074 21.341 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -2.614 -0.633 20.167 1.00 0.00 H new ATOM 1575 N SER A 104 1.278 0.829 16.847 1.00 0.00 N ATOM 1576 CA SER A 104 2.559 0.118 16.722 1.00 0.00 C ATOM 1577 C SER A 104 2.869 -0.722 17.981 1.00 0.00 C ATOM 1578 O SER A 104 2.452 -0.345 19.084 1.00 0.00 O ATOM 1579 CB SER A 104 3.674 1.158 16.481 1.00 0.00 C ATOM 1580 OG SER A 104 3.687 2.149 17.497 1.00 0.00 O ATOM 0 H SER A 104 1.388 1.838 16.953 1.00 0.00 H new ATOM 0 HA SER A 104 2.501 -0.575 15.882 1.00 0.00 H new ATOM 0 HB2 SER A 104 4.641 0.656 16.448 1.00 0.00 H new ATOM 0 HB3 SER A 104 3.528 1.632 15.510 1.00 0.00 H new ATOM 0 HG SER A 104 4.405 2.792 17.318 1.00 0.00 H new ATOM 1586 N PRO A 105 3.599 -1.884 17.840 1.00 0.00 N ATOM 1587 CA PRO A 105 4.047 -2.693 18.998 1.00 0.00 C ATOM 1588 C PRO A 105 5.233 -2.019 19.730 1.00 0.00 C ATOM 1589 O PRO A 105 6.380 -2.472 19.658 1.00 0.00 O ATOM 1590 CB PRO A 105 4.428 -4.050 18.344 1.00 0.00 C ATOM 1591 CG PRO A 105 4.888 -3.687 16.964 1.00 0.00 C ATOM 1592 CD PRO A 105 4.027 -2.508 16.545 1.00 0.00 C ATOM 0 HA PRO A 105 3.292 -2.808 19.775 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.215 -4.554 18.905 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.575 -4.728 18.312 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.945 -3.422 16.960 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.767 -4.525 16.277 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.588 -1.804 15.930 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.169 -2.831 15.956 1.00 0.00 H new ATOM 1600 N ASP A 106 4.922 -0.910 20.422 1.00 0.00 N ATOM 1601 CA ASP A 106 5.910 -0.065 21.107 1.00 0.00 C ATOM 1602 C ASP A 106 6.439 -0.771 22.369 1.00 0.00 C ATOM 1603 O ASP A 106 5.720 -0.920 23.357 1.00 0.00 O ATOM 1604 CB ASP A 106 5.266 1.308 21.441 1.00 0.00 C ATOM 1605 CG ASP A 106 6.160 2.219 22.298 1.00 0.00 C ATOM 1606 OD1 ASP A 106 7.138 2.788 21.769 1.00 0.00 O ATOM 1607 OD2 ASP A 106 5.885 2.375 23.508 1.00 0.00 O ATOM 0 H ASP A 106 3.965 -0.572 20.522 1.00 0.00 H new ATOM 0 HA ASP A 106 6.765 0.107 20.453 1.00 0.00 H new ATOM 0 HB2 ASP A 106 5.025 1.822 20.511 1.00 0.00 H new ATOM 0 HB3 ASP A 106 4.325 1.140 21.965 1.00 0.00 H new ATOM 1612 N THR A 107 7.693 -1.233 22.300 1.00 0.00 N ATOM 1613 CA THR A 107 8.380 -1.906 23.406 1.00 0.00 C ATOM 1614 C THR A 107 9.870 -1.525 23.366 1.00 0.00 C ATOM 1615 O THR A 107 10.599 -1.945 22.459 1.00 0.00 O ATOM 1616 CB THR A 107 8.205 -3.467 23.324 1.00 0.00 C ATOM 1617 OG1 THR A 107 6.807 -3.801 23.320 1.00 0.00 O ATOM 1618 CG2 THR A 107 8.893 -4.191 24.497 1.00 0.00 C ATOM 0 H THR A 107 8.267 -1.148 21.461 1.00 0.00 H new ATOM 0 HA THR A 107 7.940 -1.583 24.349 1.00 0.00 H new ATOM 0 HB THR A 107 8.678 -3.798 22.399 1.00 0.00 H new ATOM 0 HG1 THR A 107 6.703 -4.774 23.267 1.00 0.00 H new ATOM 0 HG21 THR A 107 8.745 -5.266 24.398 1.00 0.00 H new ATOM 0 HG22 THR A 107 9.960 -3.969 24.486 1.00 0.00 H new ATOM 0 HG23 THR A 107 8.461 -3.851 25.438 1.00 0.00 H new ATOM 1626 N ALA A 108 10.293 -0.692 24.325 1.00 0.00 N ATOM 1627 CA ALA A 108 11.691 -0.262 24.466 1.00 0.00 C ATOM 1628 C ALA A 108 12.114 -0.399 25.936 1.00 0.00 C ATOM 1629 O ALA A 108 12.310 0.597 26.649 1.00 0.00 O ATOM 1630 CB ALA A 108 11.864 1.172 23.921 1.00 0.00 C ATOM 0 H ALA A 108 9.672 -0.295 25.030 1.00 0.00 H new ATOM 0 HA ALA A 108 12.348 -0.899 23.874 1.00 0.00 H new ATOM 0 HB1 ALA A 108 12.904 1.480 24.031 1.00 0.00 H new ATOM 0 HB2 ALA A 108 11.588 1.196 22.867 1.00 0.00 H new ATOM 0 HB3 ALA A 108 11.223 1.854 24.480 1.00 0.00 H new ATOM 1636 N ASN A 109 12.175 -1.665 26.401 1.00 0.00 N ATOM 1637 CA ASN A 109 12.673 -2.018 27.742 1.00 0.00 C ATOM 1638 C ASN A 109 14.179 -1.716 27.802 1.00 0.00 C ATOM 1639 O ASN A 109 15.019 -2.561 27.480 1.00 0.00 O ATOM 1640 CB ASN A 109 12.370 -3.513 28.055 1.00 0.00 C ATOM 1641 CG ASN A 109 12.821 -3.961 29.453 1.00 0.00 C ATOM 1642 OD1 ASN A 109 12.817 -3.179 30.402 1.00 0.00 O ATOM 1643 ND2 ASN A 109 13.215 -5.220 29.579 1.00 0.00 N ATOM 0 H ASN A 109 11.878 -2.472 25.852 1.00 0.00 H new ATOM 0 HA ASN A 109 12.166 -1.424 28.502 1.00 0.00 H new ATOM 0 HB2 ASN A 109 11.298 -3.684 27.958 1.00 0.00 H new ATOM 0 HB3 ASN A 109 12.861 -4.137 27.308 1.00 0.00 H new ATOM 0 HD21 ASN A 109 13.528 -5.568 30.485 1.00 0.00 H new ATOM 0 HD22 ASN A 109 13.205 -5.841 28.770 1.00 0.00 H new ATOM 1650 N ASP A 110 14.489 -0.471 28.171 1.00 0.00 N ATOM 1651 CA ASP A 110 15.837 0.103 28.086 1.00 0.00 C ATOM 1652 C ASP A 110 16.197 0.794 29.412 1.00 0.00 C ATOM 1653 O ASP A 110 15.341 1.417 30.049 1.00 0.00 O ATOM 1654 CB ASP A 110 15.900 1.093 26.880 1.00 0.00 C ATOM 1655 CG ASP A 110 17.194 1.919 26.814 1.00 0.00 C ATOM 1656 OD1 ASP A 110 18.292 1.325 26.811 1.00 0.00 O ATOM 1657 OD2 ASP A 110 17.124 3.164 26.750 1.00 0.00 O ATOM 0 H ASP A 110 13.798 0.180 28.544 1.00 0.00 H new ATOM 0 HA ASP A 110 16.571 -0.685 27.918 1.00 0.00 H new ATOM 0 HB2 ASP A 110 15.795 0.528 25.954 1.00 0.00 H new ATOM 0 HB3 ASP A 110 15.050 1.773 26.937 1.00 0.00 H new ATOM 1662 N GLY A 111 17.470 0.672 29.810 1.00 0.00 N ATOM 1663 CA GLY A 111 17.961 1.241 31.054 1.00 0.00 C ATOM 1664 C GLY A 111 19.375 0.747 31.351 1.00 0.00 C ATOM 1665 O GLY A 111 19.520 -0.334 31.960 1.00 0.00 O ATOM 1666 OXT GLY A 111 20.344 1.426 30.968 1.00 0.00 O ATOM 0 H GLY A 111 18.181 0.175 29.273 1.00 0.00 H new ATOM 0 HA2 GLY A 111 17.956 2.329 30.989 1.00 0.00 H new ATOM 0 HA3 GLY A 111 17.295 0.968 31.873 1.00 0.00 H new TER 1670 GLY A 111