USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 607 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0388 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0563 USER MOD Single : A 26 TYR OH : rot 74:sc= 0.301 USER MOD Single : A 30 THR OG1 : rot -108:sc= 1.32 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot -120:sc= -4.28! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.585 K(o=-0.59,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 61 CYS SG : rot 132:sc= -0.513 USER MOD Single : A 64 LYS NZ :NH3+ -165:sc= 1.15 (180deg=0.792) USER MOD Single : A 72 HIS : no HD1:sc= -5.18 K(o=-5.2,f=-3) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.805 -20.157 -12.021 1.00 0.00 N ATOM 2 CA GLY A 1 15.076 -18.883 -11.773 1.00 0.00 C ATOM 3 C GLY A 1 14.431 -18.840 -10.402 1.00 0.00 C ATOM 4 O GLY A 1 13.264 -18.471 -10.269 1.00 0.00 O ATOM 0 H1 GLY A 1 16.227 -20.136 -12.971 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.556 -20.271 -11.311 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.142 -20.955 -11.955 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.768 -18.047 -11.871 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.309 -18.753 -12.536 1.00 0.00 H new ATOM 10 N SER A 2 15.191 -19.220 -9.380 1.00 0.00 N ATOM 11 CA SER A 2 14.686 -19.224 -8.012 1.00 0.00 C ATOM 12 C SER A 2 15.239 -18.041 -7.224 1.00 0.00 C ATOM 13 O SER A 2 14.581 -17.521 -6.323 1.00 0.00 O ATOM 14 CB SER A 2 15.056 -20.534 -7.313 1.00 0.00 C ATOM 15 OG SER A 2 14.692 -21.654 -8.103 1.00 0.00 O ATOM 0 H SER A 2 16.159 -19.529 -9.473 1.00 0.00 H new ATOM 0 HA SER A 2 13.600 -19.135 -8.052 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.128 -20.556 -7.118 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.555 -20.588 -6.347 1.00 0.00 H new ATOM 0 HG SER A 2 14.940 -22.479 -7.635 1.00 0.00 H new ATOM 21 N SER A 3 16.452 -17.622 -7.570 1.00 0.00 N ATOM 22 CA SER A 3 17.094 -16.499 -6.894 1.00 0.00 C ATOM 23 C SER A 3 16.259 -15.230 -7.031 1.00 0.00 C ATOM 24 O SER A 3 16.024 -14.747 -8.139 1.00 0.00 O ATOM 25 CB SER A 3 18.494 -16.267 -7.465 1.00 0.00 C ATOM 26 OG SER A 3 18.534 -16.557 -8.851 1.00 0.00 O ATOM 0 H SER A 3 17.010 -18.042 -8.313 1.00 0.00 H new ATOM 0 HA SER A 3 17.176 -16.744 -5.835 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.791 -15.232 -7.298 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.213 -16.894 -6.938 1.00 0.00 H new ATOM 0 HG SER A 3 19.439 -16.399 -9.192 1.00 0.00 H new ATOM 32 N GLY A 4 15.812 -14.697 -5.899 1.00 0.00 N ATOM 33 CA GLY A 4 15.008 -13.490 -5.915 1.00 0.00 C ATOM 34 C GLY A 4 14.055 -13.412 -4.739 1.00 0.00 C ATOM 35 O GLY A 4 12.863 -13.687 -4.879 1.00 0.00 O ATOM 0 H GLY A 4 15.992 -15.080 -4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.664 -12.620 -5.905 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.438 -13.449 -6.843 1.00 0.00 H new ATOM 39 N SER A 5 14.580 -13.038 -3.577 1.00 0.00 N ATOM 40 CA SER A 5 13.767 -12.926 -2.372 1.00 0.00 C ATOM 41 C SER A 5 13.152 -11.535 -2.258 1.00 0.00 C ATOM 42 O SER A 5 13.815 -10.583 -1.842 1.00 0.00 O ATOM 43 CB SER A 5 14.612 -13.225 -1.133 1.00 0.00 C ATOM 44 OG SER A 5 15.314 -14.447 -1.276 1.00 0.00 O ATOM 0 H SER A 5 15.565 -12.807 -3.444 1.00 0.00 H new ATOM 0 HA SER A 5 12.960 -13.656 -2.439 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.320 -12.413 -0.967 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.969 -13.272 -0.254 1.00 0.00 H new ATOM 0 HG SER A 5 15.848 -14.614 -0.471 1.00 0.00 H new ATOM 50 N SER A 6 11.880 -11.423 -2.629 1.00 0.00 N ATOM 51 CA SER A 6 11.175 -10.149 -2.568 1.00 0.00 C ATOM 52 C SER A 6 10.465 -9.984 -1.228 1.00 0.00 C ATOM 53 O SER A 6 10.384 -10.923 -0.437 1.00 0.00 O ATOM 54 CB SER A 6 10.165 -10.046 -3.712 1.00 0.00 C ATOM 55 OG SER A 6 10.186 -8.756 -4.299 1.00 0.00 O ATOM 0 H SER A 6 11.317 -12.200 -2.975 1.00 0.00 H new ATOM 0 HA SER A 6 11.909 -9.350 -2.669 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.391 -10.797 -4.469 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.164 -10.262 -3.338 1.00 0.00 H new ATOM 0 HG SER A 6 9.533 -8.718 -5.028 1.00 0.00 H new ATOM 61 N GLY A 7 9.951 -8.783 -0.981 1.00 0.00 N ATOM 62 CA GLY A 7 9.253 -8.518 0.264 1.00 0.00 C ATOM 63 C GLY A 7 9.728 -7.244 0.935 1.00 0.00 C ATOM 64 O GLY A 7 10.876 -7.156 1.372 1.00 0.00 O ATOM 0 H GLY A 7 10.005 -7.990 -1.620 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.183 -8.445 0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.396 -9.358 0.943 1.00 0.00 H new ATOM 68 N LEU A 8 8.843 -6.256 1.019 1.00 0.00 N ATOM 69 CA LEU A 8 9.178 -4.981 1.642 1.00 0.00 C ATOM 70 C LEU A 8 8.903 -5.021 3.142 1.00 0.00 C ATOM 71 O LEU A 8 8.112 -5.836 3.617 1.00 0.00 O ATOM 72 CB LEU A 8 8.379 -3.848 0.995 1.00 0.00 C ATOM 73 CG LEU A 8 8.511 -3.748 -0.526 1.00 0.00 C ATOM 74 CD1 LEU A 8 7.174 -3.396 -1.158 1.00 0.00 C ATOM 75 CD2 LEU A 8 9.567 -2.721 -0.903 1.00 0.00 C ATOM 0 H LEU A 8 7.889 -6.314 0.664 1.00 0.00 H new ATOM 0 HA LEU A 8 10.242 -4.798 1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.326 -3.978 1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.697 -2.903 1.435 1.00 0.00 H new ATOM 0 HG LEU A 8 8.824 -4.720 -0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.289 -3.330 -2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.443 -4.168 -0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.829 -2.437 -0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.647 -2.663 -1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.283 -1.746 -0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.528 -3.017 -0.483 1.00 0.00 H new ATOM 87 N ARG A 9 9.561 -4.136 3.884 1.00 0.00 N ATOM 88 CA ARG A 9 9.386 -4.071 5.330 1.00 0.00 C ATOM 89 C ARG A 9 8.129 -3.287 5.692 1.00 0.00 C ATOM 90 O ARG A 9 7.529 -2.631 4.843 1.00 0.00 O ATOM 91 CB ARG A 9 10.610 -3.427 5.985 1.00 0.00 C ATOM 92 CG ARG A 9 11.932 -3.992 5.491 1.00 0.00 C ATOM 93 CD ARG A 9 12.499 -3.171 4.344 1.00 0.00 C ATOM 94 NE ARG A 9 12.774 -3.990 3.167 1.00 0.00 N ATOM 95 CZ ARG A 9 13.844 -4.772 3.041 1.00 0.00 C ATOM 96 NH1 ARG A 9 14.741 -4.843 4.017 1.00 0.00 N ATOM 97 NH2 ARG A 9 14.017 -5.486 1.936 1.00 0.00 N ATOM 0 H ARG A 9 10.220 -3.454 3.508 1.00 0.00 H new ATOM 0 HA ARG A 9 9.277 -5.089 5.703 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.590 -2.354 5.797 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.547 -3.562 7.065 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.648 -4.014 6.312 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.789 -5.022 5.165 1.00 0.00 H new ATOM 0 HD2 ARG A 9 11.794 -2.382 4.080 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.418 -2.682 4.668 1.00 0.00 H new ATOM 0 HE ARG A 9 12.107 -3.961 2.396 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.612 -4.297 4.869 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.559 -5.444 3.915 1.00 0.00 H new ATOM 0 HH21 ARG A 9 13.330 -5.436 1.183 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.837 -6.085 1.839 1.00 0.00 H new ATOM 111 N LEU A 10 7.736 -3.362 6.960 1.00 0.00 N ATOM 112 CA LEU A 10 6.550 -2.660 7.434 1.00 0.00 C ATOM 113 C LEU A 10 6.909 -1.268 7.945 1.00 0.00 C ATOM 114 O LEU A 10 7.379 -1.111 9.071 1.00 0.00 O ATOM 115 CB LEU A 10 5.867 -3.462 8.544 1.00 0.00 C ATOM 116 CG LEU A 10 5.039 -4.655 8.065 1.00 0.00 C ATOM 117 CD1 LEU A 10 4.541 -5.469 9.249 1.00 0.00 C ATOM 118 CD2 LEU A 10 3.871 -4.184 7.212 1.00 0.00 C ATOM 0 H LEU A 10 8.222 -3.902 7.676 1.00 0.00 H new ATOM 0 HA LEU A 10 5.862 -2.553 6.595 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.631 -3.823 9.233 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.218 -2.792 9.109 1.00 0.00 H new ATOM 0 HG LEU A 10 5.677 -5.293 7.454 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.954 -6.314 8.889 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.392 -5.837 9.822 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.919 -4.841 9.887 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.292 -5.046 6.880 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.234 -3.524 7.800 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.249 -3.644 6.344 1.00 0.00 H new ATOM 130 N GLY A 11 6.685 -0.261 7.107 1.00 0.00 N ATOM 131 CA GLY A 11 6.991 1.106 7.491 1.00 0.00 C ATOM 132 C GLY A 11 8.141 1.689 6.693 1.00 0.00 C ATOM 133 O GLY A 11 9.019 2.349 7.248 1.00 0.00 O ATOM 0 H GLY A 11 6.297 -0.366 6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.105 1.726 7.352 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.238 1.135 8.552 1.00 0.00 H new ATOM 137 N ASP A 12 8.137 1.444 5.387 1.00 0.00 N ATOM 138 CA ASP A 12 9.187 1.950 4.511 1.00 0.00 C ATOM 139 C ASP A 12 8.602 2.835 3.415 1.00 0.00 C ATOM 140 O ASP A 12 7.583 2.499 2.810 1.00 0.00 O ATOM 141 CB ASP A 12 9.962 0.788 3.886 1.00 0.00 C ATOM 142 CG ASP A 12 11.036 0.247 4.810 1.00 0.00 C ATOM 143 OD1 ASP A 12 10.714 -0.068 5.975 1.00 0.00 O ATOM 144 OD2 ASP A 12 12.199 0.138 4.368 1.00 0.00 O ATOM 0 H ASP A 12 7.418 0.898 4.912 1.00 0.00 H new ATOM 0 HA ASP A 12 9.869 2.551 5.112 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.268 -0.013 3.632 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.421 1.120 2.955 1.00 0.00 H new ATOM 149 N ARG A 13 9.253 3.965 3.163 1.00 0.00 N ATOM 150 CA ARG A 13 8.797 4.898 2.139 1.00 0.00 C ATOM 151 C ARG A 13 8.952 4.297 0.746 1.00 0.00 C ATOM 152 O ARG A 13 10.060 3.963 0.323 1.00 0.00 O ATOM 153 CB ARG A 13 9.580 6.210 2.231 1.00 0.00 C ATOM 154 CG ARG A 13 8.965 7.220 3.185 1.00 0.00 C ATOM 155 CD ARG A 13 9.469 7.025 4.607 1.00 0.00 C ATOM 156 NE ARG A 13 10.010 8.260 5.169 1.00 0.00 N ATOM 157 CZ ARG A 13 10.817 8.303 6.227 1.00 0.00 C ATOM 158 NH1 ARG A 13 11.176 7.182 6.842 1.00 0.00 N ATOM 159 NH2 ARG A 13 11.265 9.468 6.673 1.00 0.00 N ATOM 0 H ARG A 13 10.098 4.257 3.654 1.00 0.00 H new ATOM 0 HA ARG A 13 7.740 5.100 2.312 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.599 5.993 2.552 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.646 6.654 1.238 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.202 8.230 2.849 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.879 7.125 3.167 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.653 6.668 5.235 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.240 6.254 4.616 1.00 0.00 H new ATOM 0 HE ARG A 13 9.754 9.142 4.724 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.833 6.283 6.504 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.795 7.220 7.652 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.991 10.332 6.206 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.883 9.500 7.484 1.00 0.00 H new ATOM 173 N VAL A 14 7.836 4.163 0.037 1.00 0.00 N ATOM 174 CA VAL A 14 7.849 3.601 -1.308 1.00 0.00 C ATOM 175 C VAL A 14 7.079 4.488 -2.281 1.00 0.00 C ATOM 176 O VAL A 14 6.477 5.486 -1.884 1.00 0.00 O ATOM 177 CB VAL A 14 7.243 2.186 -1.334 1.00 0.00 C ATOM 178 CG1 VAL A 14 8.132 1.209 -0.581 1.00 0.00 C ATOM 179 CG2 VAL A 14 5.837 2.196 -0.754 1.00 0.00 C ATOM 0 H VAL A 14 6.912 4.436 0.371 1.00 0.00 H new ATOM 0 HA VAL A 14 8.893 3.546 -1.616 1.00 0.00 H new ATOM 0 HB VAL A 14 7.180 1.857 -2.371 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.687 0.215 -0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 14 9.117 1.180 -1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.231 1.531 0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.425 1.187 -0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.871 2.547 0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.205 2.862 -1.342 1.00 0.00 H new ATOM 189 N LEU A 15 7.103 4.117 -3.556 1.00 0.00 N ATOM 190 CA LEU A 15 6.407 4.877 -4.588 1.00 0.00 C ATOM 191 C LEU A 15 5.445 3.984 -5.366 1.00 0.00 C ATOM 192 O LEU A 15 5.826 2.919 -5.850 1.00 0.00 O ATOM 193 CB LEU A 15 7.414 5.517 -5.546 1.00 0.00 C ATOM 194 CG LEU A 15 6.868 6.678 -6.380 1.00 0.00 C ATOM 195 CD1 LEU A 15 6.260 7.742 -5.481 1.00 0.00 C ATOM 196 CD2 LEU A 15 7.968 7.274 -7.245 1.00 0.00 C ATOM 0 H LEU A 15 7.597 3.294 -3.900 1.00 0.00 H new ATOM 0 HA LEU A 15 5.831 5.662 -4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.266 5.874 -4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.788 4.748 -6.222 1.00 0.00 H new ATOM 0 HG LEU A 15 6.085 6.294 -7.034 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.877 8.559 -6.092 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.444 7.308 -4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.022 8.123 -4.802 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.563 8.098 -7.832 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.772 7.643 -6.608 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.358 6.509 -7.916 1.00 0.00 H new ATOM 208 N VAL A 16 4.197 4.426 -5.481 1.00 0.00 N ATOM 209 CA VAL A 16 3.182 3.666 -6.200 1.00 0.00 C ATOM 210 C VAL A 16 2.901 4.282 -7.566 1.00 0.00 C ATOM 211 O VAL A 16 2.242 5.316 -7.669 1.00 0.00 O ATOM 212 CB VAL A 16 1.865 3.590 -5.404 1.00 0.00 C ATOM 213 CG1 VAL A 16 0.886 2.640 -6.076 1.00 0.00 C ATOM 214 CG2 VAL A 16 2.135 3.166 -3.967 1.00 0.00 C ATOM 0 H VAL A 16 3.865 5.306 -5.086 1.00 0.00 H new ATOM 0 HA VAL A 16 3.576 2.658 -6.331 1.00 0.00 H new ATOM 0 HB VAL A 16 1.414 4.582 -5.387 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.037 2.601 -5.498 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.669 2.994 -7.084 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.324 1.643 -6.128 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.194 3.117 -3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.610 2.185 -3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.795 3.892 -3.491 1.00 0.00 H new ATOM 224 N GLY A 17 3.408 3.640 -8.613 1.00 0.00 N ATOM 225 CA GLY A 17 3.200 4.141 -9.960 1.00 0.00 C ATOM 226 C GLY A 17 4.310 5.072 -10.408 1.00 0.00 C ATOM 227 O GLY A 17 4.839 4.932 -11.511 1.00 0.00 O ATOM 0 H GLY A 17 3.958 2.783 -8.554 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.133 3.301 -10.651 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.247 4.668 -10.006 1.00 0.00 H new ATOM 231 N GLY A 18 4.663 6.025 -9.551 1.00 0.00 N ATOM 232 CA GLY A 18 5.714 6.967 -9.884 1.00 0.00 C ATOM 233 C GLY A 18 5.491 8.337 -9.272 1.00 0.00 C ATOM 234 O GLY A 18 6.426 9.130 -9.157 1.00 0.00 O ATOM 0 H GLY A 18 4.240 6.161 -8.633 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.671 6.573 -9.542 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.778 7.064 -10.968 1.00 0.00 H new ATOM 238 N THR A 19 4.251 8.621 -8.882 1.00 0.00 N ATOM 239 CA THR A 19 3.916 9.909 -8.284 1.00 0.00 C ATOM 240 C THR A 19 3.329 9.732 -6.887 1.00 0.00 C ATOM 241 O THR A 19 3.678 10.462 -5.959 1.00 0.00 O ATOM 242 CB THR A 19 2.924 10.663 -9.172 1.00 0.00 C ATOM 243 OG1 THR A 19 3.256 10.504 -10.541 1.00 0.00 O ATOM 244 CG2 THR A 19 2.869 12.147 -8.882 1.00 0.00 C ATOM 0 H THR A 19 3.464 7.978 -8.969 1.00 0.00 H new ATOM 0 HA THR A 19 4.836 10.488 -8.199 1.00 0.00 H new ATOM 0 HB THR A 19 1.949 10.230 -8.949 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.610 10.992 -11.093 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.147 12.621 -9.546 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.567 12.304 -7.846 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.853 12.586 -9.044 1.00 0.00 H new ATOM 252 N LYS A 20 2.433 8.760 -6.745 1.00 0.00 N ATOM 253 CA LYS A 20 1.794 8.493 -5.461 1.00 0.00 C ATOM 254 C LYS A 20 2.823 8.080 -4.412 1.00 0.00 C ATOM 255 O LYS A 20 3.256 6.928 -4.372 1.00 0.00 O ATOM 256 CB LYS A 20 0.737 7.399 -5.612 1.00 0.00 C ATOM 257 CG LYS A 20 -0.519 7.865 -6.332 1.00 0.00 C ATOM 258 CD LYS A 20 -0.999 6.835 -7.343 1.00 0.00 C ATOM 259 CE LYS A 20 -2.494 6.953 -7.592 1.00 0.00 C ATOM 260 NZ LYS A 20 -2.834 6.759 -9.029 1.00 0.00 N ATOM 0 H LYS A 20 2.133 8.145 -7.502 1.00 0.00 H new ATOM 0 HA LYS A 20 1.313 9.412 -5.127 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.169 6.560 -6.158 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.464 7.030 -4.624 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.307 8.056 -5.604 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.319 8.809 -6.840 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.461 6.967 -8.282 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.767 5.833 -6.981 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.022 6.213 -6.991 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.840 7.934 -7.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.862 6.847 -9.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.351 7.481 -9.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.527 5.813 -9.334 1.00 0.00 H new ATOM 274 N THR A 21 3.209 9.029 -3.564 1.00 0.00 N ATOM 275 CA THR A 21 4.185 8.764 -2.513 1.00 0.00 C ATOM 276 C THR A 21 3.493 8.303 -1.234 1.00 0.00 C ATOM 277 O THR A 21 2.633 9.002 -0.696 1.00 0.00 O ATOM 278 CB THR A 21 5.016 10.017 -2.234 1.00 0.00 C ATOM 279 OG1 THR A 21 4.235 11.186 -2.405 1.00 0.00 O ATOM 280 CG2 THR A 21 6.231 10.141 -3.127 1.00 0.00 C ATOM 0 H THR A 21 2.861 9.988 -3.584 1.00 0.00 H new ATOM 0 HA THR A 21 4.845 7.967 -2.855 1.00 0.00 H new ATOM 0 HB THR A 21 5.353 9.915 -1.202 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.784 11.976 -2.220 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.776 11.051 -2.876 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.880 9.278 -2.980 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.914 10.183 -4.169 1.00 0.00 H new ATOM 288 N GLY A 22 3.873 7.125 -0.753 1.00 0.00 N ATOM 289 CA GLY A 22 3.277 6.592 0.459 1.00 0.00 C ATOM 290 C GLY A 22 4.154 5.553 1.129 1.00 0.00 C ATOM 291 O GLY A 22 4.930 4.865 0.467 1.00 0.00 O ATOM 0 H GLY A 22 4.583 6.529 -1.180 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.089 7.408 1.157 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.311 6.148 0.220 1.00 0.00 H new ATOM 295 N VAL A 23 4.028 5.438 2.448 1.00 0.00 N ATOM 296 CA VAL A 23 4.814 4.474 3.209 1.00 0.00 C ATOM 297 C VAL A 23 4.091 3.137 3.316 1.00 0.00 C ATOM 298 O VAL A 23 2.864 3.088 3.400 1.00 0.00 O ATOM 299 CB VAL A 23 5.119 4.994 4.628 1.00 0.00 C ATOM 300 CG1 VAL A 23 6.127 4.091 5.322 1.00 0.00 C ATOM 301 CG2 VAL A 23 5.622 6.429 4.575 1.00 0.00 C ATOM 0 H VAL A 23 3.390 6.000 3.011 1.00 0.00 H new ATOM 0 HA VAL A 23 5.751 4.335 2.670 1.00 0.00 H new ATOM 0 HB VAL A 23 4.196 4.980 5.207 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.330 4.474 6.322 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.722 3.082 5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.053 4.070 4.747 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.832 6.779 5.586 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.534 6.473 3.979 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.861 7.065 4.122 1.00 0.00 H new ATOM 311 N VAL A 24 4.859 2.052 3.310 1.00 0.00 N ATOM 312 CA VAL A 24 4.290 0.713 3.405 1.00 0.00 C ATOM 313 C VAL A 24 3.744 0.447 4.804 1.00 0.00 C ATOM 314 O VAL A 24 4.481 0.495 5.789 1.00 0.00 O ATOM 315 CB VAL A 24 5.333 -0.367 3.061 1.00 0.00 C ATOM 316 CG1 VAL A 24 4.674 -1.735 2.967 1.00 0.00 C ATOM 317 CG2 VAL A 24 6.052 -0.023 1.766 1.00 0.00 C ATOM 0 H VAL A 24 5.876 2.074 3.240 1.00 0.00 H new ATOM 0 HA VAL A 24 3.475 0.664 2.683 1.00 0.00 H new ATOM 0 HB VAL A 24 6.072 -0.400 3.861 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.426 -2.485 2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.211 -1.982 3.922 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.912 -1.719 2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.785 -0.798 1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.328 0.040 0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.559 0.936 1.875 1.00 0.00 H new ATOM 327 N ARG A 25 2.447 0.164 4.883 1.00 0.00 N ATOM 328 CA ARG A 25 1.802 -0.109 6.162 1.00 0.00 C ATOM 329 C ARG A 25 1.523 -1.601 6.323 1.00 0.00 C ATOM 330 O ARG A 25 1.523 -2.126 7.436 1.00 0.00 O ATOM 331 CB ARG A 25 0.497 0.680 6.279 1.00 0.00 C ATOM 332 CG ARG A 25 0.689 2.098 6.792 1.00 0.00 C ATOM 333 CD ARG A 25 1.390 2.112 8.141 1.00 0.00 C ATOM 334 NE ARG A 25 1.245 3.398 8.820 1.00 0.00 N ATOM 335 CZ ARG A 25 2.028 3.802 9.818 1.00 0.00 C ATOM 336 NH1 ARG A 25 3.010 3.024 10.257 1.00 0.00 N ATOM 337 NH2 ARG A 25 1.828 4.986 10.380 1.00 0.00 N ATOM 0 H ARG A 25 1.823 0.118 4.077 1.00 0.00 H new ATOM 0 HA ARG A 25 2.480 0.204 6.956 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.016 0.718 5.302 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.181 0.149 6.948 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.273 2.671 6.071 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.280 2.589 6.879 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.981 1.322 8.770 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.449 1.893 8.002 1.00 0.00 H new ATOM 0 HE ARG A 25 0.500 4.023 8.511 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.168 2.112 9.829 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.607 3.339 11.022 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.074 5.587 10.048 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.428 5.295 11.145 1.00 0.00 H new ATOM 351 N TYR A 26 1.288 -2.278 5.204 1.00 0.00 N ATOM 352 CA TYR A 26 1.009 -3.709 5.221 1.00 0.00 C ATOM 353 C TYR A 26 1.765 -4.424 4.105 1.00 0.00 C ATOM 354 O TYR A 26 1.886 -3.908 2.994 1.00 0.00 O ATOM 355 CB TYR A 26 -0.493 -3.960 5.076 1.00 0.00 C ATOM 356 CG TYR A 26 -0.878 -5.418 5.185 1.00 0.00 C ATOM 357 CD1 TYR A 26 -1.060 -6.016 6.426 1.00 0.00 C ATOM 358 CD2 TYR A 26 -1.056 -6.196 4.049 1.00 0.00 C ATOM 359 CE1 TYR A 26 -1.411 -7.348 6.530 1.00 0.00 C ATOM 360 CE2 TYR A 26 -1.408 -7.530 4.145 1.00 0.00 C ATOM 361 CZ TYR A 26 -1.583 -8.101 5.388 1.00 0.00 C ATOM 362 OH TYR A 26 -1.933 -9.427 5.489 1.00 0.00 O ATOM 0 H TYR A 26 1.285 -1.859 4.274 1.00 0.00 H new ATOM 0 HA TYR A 26 1.346 -4.107 6.178 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.023 -3.395 5.843 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.825 -3.577 4.111 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.925 -5.430 7.323 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.917 -5.752 3.074 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.550 -7.798 7.502 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.545 -8.121 3.252 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.875 -9.498 5.749 1.00 0.00 H new ATOM 372 N VAL A 27 2.272 -5.615 4.409 1.00 0.00 N ATOM 373 CA VAL A 27 3.016 -6.401 3.432 1.00 0.00 C ATOM 374 C VAL A 27 2.712 -7.888 3.577 1.00 0.00 C ATOM 375 O VAL A 27 2.499 -8.384 4.684 1.00 0.00 O ATOM 376 CB VAL A 27 4.533 -6.183 3.576 1.00 0.00 C ATOM 377 CG1 VAL A 27 5.280 -6.852 2.432 1.00 0.00 C ATOM 378 CG2 VAL A 27 4.856 -4.697 3.636 1.00 0.00 C ATOM 0 H VAL A 27 2.181 -6.056 5.324 1.00 0.00 H new ATOM 0 HA VAL A 27 2.699 -6.063 2.446 1.00 0.00 H new ATOM 0 HB VAL A 27 4.860 -6.641 4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.351 -6.687 2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.075 -7.922 2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.950 -6.426 1.484 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.933 -4.563 3.738 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.515 -4.213 2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.352 -4.249 4.493 1.00 0.00 H new ATOM 388 N GLY A 28 2.692 -8.594 2.451 1.00 0.00 N ATOM 389 CA GLY A 28 2.413 -10.019 2.474 1.00 0.00 C ATOM 390 C GLY A 28 1.311 -10.410 1.509 1.00 0.00 C ATOM 391 O GLY A 28 0.902 -9.610 0.668 1.00 0.00 O ATOM 0 H GLY A 28 2.864 -8.206 1.524 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.321 -10.568 2.225 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.129 -10.314 3.484 1.00 0.00 H new ATOM 395 N GLU A 29 0.829 -11.642 1.631 1.00 0.00 N ATOM 396 CA GLU A 29 -0.232 -12.138 0.762 1.00 0.00 C ATOM 397 C GLU A 29 -1.596 -11.644 1.233 1.00 0.00 C ATOM 398 O GLU A 29 -1.703 -10.971 2.259 1.00 0.00 O ATOM 399 CB GLU A 29 -0.217 -13.667 0.724 1.00 0.00 C ATOM 400 CG GLU A 29 0.981 -14.244 -0.014 1.00 0.00 C ATOM 401 CD GLU A 29 1.162 -15.727 0.240 1.00 0.00 C ATOM 402 OE1 GLU A 29 0.690 -16.212 1.291 1.00 0.00 O ATOM 403 OE2 GLU A 29 1.776 -16.405 -0.610 1.00 0.00 O ATOM 0 H GLU A 29 1.156 -12.316 2.323 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.053 -11.755 -0.243 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.222 -14.048 1.745 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.132 -14.020 0.247 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.860 -14.074 -1.084 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.882 -13.714 0.293 1.00 0.00 H new ATOM 410 N THR A 30 -2.636 -11.981 0.478 1.00 0.00 N ATOM 411 CA THR A 30 -3.993 -11.572 0.818 1.00 0.00 C ATOM 412 C THR A 30 -4.996 -12.666 0.464 1.00 0.00 C ATOM 413 O THR A 30 -4.618 -13.741 -0.002 1.00 0.00 O ATOM 414 CB THR A 30 -4.357 -10.277 0.090 1.00 0.00 C ATOM 415 OG1 THR A 30 -4.196 -10.428 -1.309 1.00 0.00 O ATOM 416 CG2 THR A 30 -3.522 -9.092 0.524 1.00 0.00 C ATOM 0 H THR A 30 -2.565 -12.537 -0.374 1.00 0.00 H new ATOM 0 HA THR A 30 -4.034 -11.400 1.893 1.00 0.00 H new ATOM 0 HB THR A 30 -5.397 -10.081 0.349 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.409 -9.924 -1.604 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.831 -8.206 -0.031 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.662 -8.919 1.591 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.470 -9.296 0.325 1.00 0.00 H new ATOM 424 N ASP A 31 -6.275 -12.384 0.688 1.00 0.00 N ATOM 425 CA ASP A 31 -7.333 -13.344 0.393 1.00 0.00 C ATOM 426 C ASP A 31 -8.152 -12.898 -0.815 1.00 0.00 C ATOM 427 O ASP A 31 -8.591 -13.720 -1.617 1.00 0.00 O ATOM 428 CB ASP A 31 -8.247 -13.518 1.607 1.00 0.00 C ATOM 429 CG ASP A 31 -7.607 -14.354 2.698 1.00 0.00 C ATOM 430 OD1 ASP A 31 -6.592 -13.908 3.270 1.00 0.00 O ATOM 431 OD2 ASP A 31 -8.123 -15.456 2.978 1.00 0.00 O ATOM 0 H ASP A 31 -6.604 -11.499 1.073 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.865 -14.300 0.159 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.504 -12.538 2.008 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.179 -13.988 1.292 1.00 0.00 H new ATOM 436 N PHE A 32 -8.351 -11.589 -0.937 1.00 0.00 N ATOM 437 CA PHE A 32 -9.117 -11.033 -2.046 1.00 0.00 C ATOM 438 C PHE A 32 -8.430 -11.316 -3.378 1.00 0.00 C ATOM 439 O PHE A 32 -9.087 -11.474 -4.407 1.00 0.00 O ATOM 440 CB PHE A 32 -9.300 -9.526 -1.862 1.00 0.00 C ATOM 441 CG PHE A 32 -8.006 -8.780 -1.700 1.00 0.00 C ATOM 442 CD1 PHE A 32 -7.222 -8.481 -2.802 1.00 0.00 C ATOM 443 CD2 PHE A 32 -7.574 -8.380 -0.447 1.00 0.00 C ATOM 444 CE1 PHE A 32 -6.031 -7.795 -2.658 1.00 0.00 C ATOM 445 CE2 PHE A 32 -6.384 -7.694 -0.295 1.00 0.00 C ATOM 446 CZ PHE A 32 -5.612 -7.401 -1.401 1.00 0.00 C ATOM 0 H PHE A 32 -7.992 -10.894 -0.282 1.00 0.00 H new ATOM 0 HA PHE A 32 -10.096 -11.512 -2.055 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -9.836 -9.125 -2.723 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.925 -9.348 -0.987 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.545 -8.788 -3.786 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.174 -8.607 0.422 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.429 -7.567 -3.525 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.058 -7.387 0.688 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.682 -6.865 -1.284 1.00 0.00 H new ATOM 456 N ALA A 33 -7.102 -11.377 -3.352 1.00 0.00 N ATOM 457 CA ALA A 33 -6.325 -11.641 -4.557 1.00 0.00 C ATOM 458 C ALA A 33 -5.157 -12.576 -4.265 1.00 0.00 C ATOM 459 O ALA A 33 -4.705 -12.683 -3.125 1.00 0.00 O ATOM 460 CB ALA A 33 -5.822 -10.335 -5.156 1.00 0.00 C ATOM 0 H ALA A 33 -6.542 -11.247 -2.509 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.977 -12.133 -5.279 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.243 -10.546 -6.055 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.671 -9.701 -5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.191 -9.821 -4.431 1.00 0.00 H new ATOM 466 N LYS A 34 -4.674 -13.251 -5.302 1.00 0.00 N ATOM 467 CA LYS A 34 -3.557 -14.178 -5.157 1.00 0.00 C ATOM 468 C LYS A 34 -2.225 -13.456 -5.322 1.00 0.00 C ATOM 469 O LYS A 34 -2.098 -12.545 -6.141 1.00 0.00 O ATOM 470 CB LYS A 34 -3.669 -15.308 -6.182 1.00 0.00 C ATOM 471 CG LYS A 34 -5.038 -15.970 -6.213 1.00 0.00 C ATOM 472 CD LYS A 34 -4.973 -17.417 -5.751 1.00 0.00 C ATOM 473 CE LYS A 34 -5.420 -17.563 -4.305 1.00 0.00 C ATOM 474 NZ LYS A 34 -4.467 -18.386 -3.509 1.00 0.00 N ATOM 0 H LYS A 34 -5.038 -13.174 -6.252 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.597 -14.602 -4.153 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.444 -14.912 -7.172 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.915 -16.063 -5.961 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.725 -15.415 -5.575 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.439 -15.929 -7.226 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.604 -18.033 -6.392 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.954 -17.788 -5.857 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.513 -16.576 -3.852 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.408 -18.022 -4.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.808 -18.461 -2.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.397 -19.336 -3.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.530 -17.935 -3.516 1.00 0.00 H new ATOM 488 N GLY A 35 -1.232 -13.869 -4.540 1.00 0.00 N ATOM 489 CA GLY A 35 0.079 -13.250 -4.617 1.00 0.00 C ATOM 490 C GLY A 35 0.402 -12.418 -3.392 1.00 0.00 C ATOM 491 O GLY A 35 -0.299 -12.485 -2.383 1.00 0.00 O ATOM 0 H GLY A 35 -1.312 -14.621 -3.855 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.836 -14.025 -4.736 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.127 -12.618 -5.504 1.00 0.00 H new ATOM 495 N GLU A 36 1.469 -11.630 -3.481 1.00 0.00 N ATOM 496 CA GLU A 36 1.887 -10.780 -2.372 1.00 0.00 C ATOM 497 C GLU A 36 1.535 -9.321 -2.643 1.00 0.00 C ATOM 498 O GLU A 36 2.122 -8.682 -3.515 1.00 0.00 O ATOM 499 CB GLU A 36 3.393 -10.917 -2.137 1.00 0.00 C ATOM 500 CG GLU A 36 3.766 -12.107 -1.267 1.00 0.00 C ATOM 501 CD GLU A 36 5.249 -12.421 -1.317 1.00 0.00 C ATOM 502 OE1 GLU A 36 6.017 -11.783 -0.566 1.00 0.00 O ATOM 503 OE2 GLU A 36 5.642 -13.306 -2.106 1.00 0.00 O ATOM 0 H GLU A 36 2.060 -11.563 -4.310 1.00 0.00 H new ATOM 0 HA GLU A 36 1.355 -11.104 -1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.896 -11.009 -3.100 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.764 -10.005 -1.670 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.475 -11.905 -0.236 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.202 -12.981 -1.591 1.00 0.00 H new ATOM 510 N TRP A 37 0.572 -8.800 -1.889 1.00 0.00 N ATOM 511 CA TRP A 37 0.142 -7.416 -2.048 1.00 0.00 C ATOM 512 C TRP A 37 0.839 -6.510 -1.038 1.00 0.00 C ATOM 513 O TRP A 37 1.353 -6.976 -0.022 1.00 0.00 O ATOM 514 CB TRP A 37 -1.375 -7.310 -1.885 1.00 0.00 C ATOM 515 CG TRP A 37 -2.139 -7.946 -3.006 1.00 0.00 C ATOM 516 CD1 TRP A 37 -2.330 -9.281 -3.214 1.00 0.00 C ATOM 517 CD2 TRP A 37 -2.812 -7.273 -4.076 1.00 0.00 C ATOM 518 NE1 TRP A 37 -3.082 -9.480 -4.347 1.00 0.00 N ATOM 519 CE2 TRP A 37 -3.390 -8.262 -4.893 1.00 0.00 C ATOM 520 CE3 TRP A 37 -2.984 -5.928 -4.420 1.00 0.00 C ATOM 521 CZ2 TRP A 37 -4.127 -7.949 -6.034 1.00 0.00 C ATOM 522 CZ3 TRP A 37 -3.715 -5.620 -5.553 1.00 0.00 C ATOM 523 CH2 TRP A 37 -4.279 -6.627 -6.347 1.00 0.00 C ATOM 0 H TRP A 37 0.075 -9.315 -1.162 1.00 0.00 H new ATOM 0 HA TRP A 37 0.416 -7.089 -3.051 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.666 -7.779 -0.945 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.653 -6.258 -1.816 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.946 -10.067 -2.580 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.365 -10.386 -4.720 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.554 -5.145 -3.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.562 -8.723 -6.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.853 -4.585 -5.830 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.846 -6.353 -7.225 1.00 0.00 H new ATOM 534 N CYS A 38 0.854 -5.212 -1.327 1.00 0.00 N ATOM 535 CA CYS A 38 1.488 -4.241 -0.444 1.00 0.00 C ATOM 536 C CYS A 38 0.588 -3.027 -0.232 1.00 0.00 C ATOM 537 O CYS A 38 0.177 -2.372 -1.190 1.00 0.00 O ATOM 538 CB CYS A 38 2.836 -3.800 -1.022 1.00 0.00 C ATOM 539 SG CYS A 38 4.254 -4.196 0.028 1.00 0.00 S ATOM 0 H CYS A 38 0.435 -4.810 -2.165 1.00 0.00 H new ATOM 0 HA CYS A 38 1.653 -4.718 0.522 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.974 -4.272 -1.994 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.812 -2.723 -1.191 1.00 0.00 H new ATOM 0 HG CYS A 38 4.873 -3.100 0.352 1.00 0.00 H new ATOM 545 N GLY A 39 0.285 -2.735 1.028 1.00 0.00 N ATOM 546 CA GLY A 39 -0.564 -1.601 1.343 1.00 0.00 C ATOM 547 C GLY A 39 0.230 -0.336 1.601 1.00 0.00 C ATOM 548 O GLY A 39 0.824 -0.174 2.666 1.00 0.00 O ATOM 0 H GLY A 39 0.612 -3.263 1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.257 -1.430 0.519 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.165 -1.834 2.222 1.00 0.00 H new ATOM 552 N VAL A 40 0.240 0.563 0.622 1.00 0.00 N ATOM 553 CA VAL A 40 0.968 1.820 0.747 1.00 0.00 C ATOM 554 C VAL A 40 0.054 2.937 1.242 1.00 0.00 C ATOM 555 O VAL A 40 -0.977 3.223 0.634 1.00 0.00 O ATOM 556 CB VAL A 40 1.597 2.242 -0.594 1.00 0.00 C ATOM 557 CG1 VAL A 40 2.478 3.468 -0.411 1.00 0.00 C ATOM 558 CG2 VAL A 40 2.391 1.092 -1.198 1.00 0.00 C ATOM 0 H VAL A 40 -0.248 0.444 -0.266 1.00 0.00 H new ATOM 0 HA VAL A 40 1.762 1.654 1.475 1.00 0.00 H new ATOM 0 HB VAL A 40 0.794 2.501 -1.284 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.913 3.750 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.878 4.293 -0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.276 3.241 0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.828 1.409 -2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.186 0.799 -0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.729 0.244 -1.370 1.00 0.00 H new ATOM 568 N GLU A 41 0.440 3.563 2.350 1.00 0.00 N ATOM 569 CA GLU A 41 -0.345 4.648 2.926 1.00 0.00 C ATOM 570 C GLU A 41 0.010 5.982 2.277 1.00 0.00 C ATOM 571 O GLU A 41 1.179 6.364 2.218 1.00 0.00 O ATOM 572 CB GLU A 41 -0.114 4.725 4.437 1.00 0.00 C ATOM 573 CG GLU A 41 -1.169 5.534 5.173 1.00 0.00 C ATOM 574 CD GLU A 41 -0.741 6.969 5.415 1.00 0.00 C ATOM 575 OE1 GLU A 41 0.424 7.181 5.813 1.00 0.00 O ATOM 576 OE2 GLU A 41 -1.570 7.879 5.206 1.00 0.00 O ATOM 0 H GLU A 41 1.291 3.337 2.866 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.398 4.442 2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.093 3.714 4.845 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.866 5.165 4.624 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.094 5.527 4.597 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.385 5.057 6.129 1.00 0.00 H new ATOM 583 N LEU A 42 -1.007 6.688 1.793 1.00 0.00 N ATOM 584 CA LEU A 42 -0.803 7.979 1.148 1.00 0.00 C ATOM 585 C LEU A 42 -1.201 9.120 2.078 1.00 0.00 C ATOM 586 O LEU A 42 -2.006 8.938 2.992 1.00 0.00 O ATOM 587 CB LEU A 42 -1.610 8.058 -0.149 1.00 0.00 C ATOM 588 CG LEU A 42 -1.229 7.026 -1.212 1.00 0.00 C ATOM 589 CD1 LEU A 42 -2.132 7.156 -2.429 1.00 0.00 C ATOM 590 CD2 LEU A 42 0.231 7.186 -1.610 1.00 0.00 C ATOM 0 H LEU A 42 -1.981 6.387 1.836 1.00 0.00 H new ATOM 0 HA LEU A 42 0.257 8.077 0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.667 7.938 0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.491 9.055 -0.573 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.363 6.030 -0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.846 6.414 -3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.168 6.992 -2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.029 8.155 -2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.485 6.444 -2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.391 8.186 -2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.865 7.043 -0.735 1.00 0.00 H new ATOM 602 N ASP A 43 -0.630 10.297 1.843 1.00 0.00 N ATOM 603 CA ASP A 43 -0.925 11.467 2.661 1.00 0.00 C ATOM 604 C ASP A 43 -2.252 12.098 2.251 1.00 0.00 C ATOM 605 O ASP A 43 -3.032 12.533 3.099 1.00 0.00 O ATOM 606 CB ASP A 43 0.201 12.496 2.539 1.00 0.00 C ATOM 607 CG ASP A 43 1.438 12.094 3.318 1.00 0.00 C ATOM 608 OD1 ASP A 43 1.846 10.918 3.217 1.00 0.00 O ATOM 609 OD2 ASP A 43 1.998 12.954 4.029 1.00 0.00 O ATOM 0 H ASP A 43 0.040 10.465 1.092 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.003 11.144 3.699 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.462 12.622 1.488 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.153 13.462 2.898 1.00 0.00 H new ATOM 614 N GLU A 44 -2.503 12.144 0.947 1.00 0.00 N ATOM 615 CA GLU A 44 -3.736 12.722 0.426 1.00 0.00 C ATOM 616 C GLU A 44 -4.711 11.628 -0.007 1.00 0.00 C ATOM 617 O GLU A 44 -4.296 10.566 -0.472 1.00 0.00 O ATOM 618 CB GLU A 44 -3.432 13.646 -0.755 1.00 0.00 C ATOM 619 CG GLU A 44 -3.021 15.049 -0.338 1.00 0.00 C ATOM 620 CD GLU A 44 -1.843 15.052 0.616 1.00 0.00 C ATOM 621 OE1 GLU A 44 -0.960 14.181 0.470 1.00 0.00 O ATOM 622 OE2 GLU A 44 -1.804 15.924 1.508 1.00 0.00 O ATOM 0 H GLU A 44 -1.869 11.788 0.232 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.200 13.303 1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.635 13.206 -1.355 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.314 13.709 -1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.766 15.628 -1.226 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.868 15.546 0.135 1.00 0.00 H new ATOM 629 N PRO A 45 -6.025 11.874 0.141 1.00 0.00 N ATOM 630 CA PRO A 45 -7.057 10.902 -0.239 1.00 0.00 C ATOM 631 C PRO A 45 -6.909 10.434 -1.682 1.00 0.00 C ATOM 632 O PRO A 45 -7.495 11.013 -2.596 1.00 0.00 O ATOM 633 CB PRO A 45 -8.365 11.679 -0.062 1.00 0.00 C ATOM 634 CG PRO A 45 -8.044 12.744 0.929 1.00 0.00 C ATOM 635 CD PRO A 45 -6.607 13.114 0.686 1.00 0.00 C ATOM 0 HA PRO A 45 -7.000 9.995 0.363 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.702 12.106 -1.006 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.164 11.031 0.298 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -8.697 13.607 0.800 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.188 12.385 1.948 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.518 13.943 -0.017 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.110 13.421 1.606 1.00 0.00 H new ATOM 643 N LEU A 46 -6.122 9.381 -1.880 1.00 0.00 N ATOM 644 CA LEU A 46 -5.897 8.835 -3.213 1.00 0.00 C ATOM 645 C LEU A 46 -5.818 7.312 -3.169 1.00 0.00 C ATOM 646 O LEU A 46 -5.112 6.694 -3.966 1.00 0.00 O ATOM 647 CB LEU A 46 -4.610 9.406 -3.812 1.00 0.00 C ATOM 648 CG LEU A 46 -4.465 10.925 -3.705 1.00 0.00 C ATOM 649 CD1 LEU A 46 -3.013 11.336 -3.884 1.00 0.00 C ATOM 650 CD2 LEU A 46 -5.348 11.618 -4.732 1.00 0.00 C ATOM 0 H LEU A 46 -5.630 8.889 -1.134 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.740 9.121 -3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.758 8.939 -3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.561 9.125 -4.864 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.788 11.233 -2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.929 12.420 -3.805 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.404 10.868 -3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.663 11.016 -4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.232 12.698 -4.642 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.056 11.304 -5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.390 11.349 -4.557 1.00 0.00 H new ATOM 662 N GLY A 47 -6.549 6.713 -2.234 1.00 0.00 N ATOM 663 CA GLY A 47 -6.548 5.268 -2.103 1.00 0.00 C ATOM 664 C GLY A 47 -7.874 4.649 -2.500 1.00 0.00 C ATOM 665 O GLY A 47 -8.810 5.356 -2.872 1.00 0.00 O ATOM 0 H GLY A 47 -7.142 7.203 -1.565 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.755 4.851 -2.724 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.320 5.000 -1.071 1.00 0.00 H new ATOM 669 N LYS A 48 -7.953 3.324 -2.421 1.00 0.00 N ATOM 670 CA LYS A 48 -9.174 2.609 -2.775 1.00 0.00 C ATOM 671 C LYS A 48 -10.062 2.411 -1.551 1.00 0.00 C ATOM 672 O LYS A 48 -11.288 2.379 -1.661 1.00 0.00 O ATOM 673 CB LYS A 48 -8.834 1.254 -3.397 1.00 0.00 C ATOM 674 CG LYS A 48 -7.887 1.349 -4.583 1.00 0.00 C ATOM 675 CD LYS A 48 -8.644 1.397 -5.902 1.00 0.00 C ATOM 676 CE LYS A 48 -8.298 2.644 -6.701 1.00 0.00 C ATOM 677 NZ LYS A 48 -8.237 2.368 -8.162 1.00 0.00 N ATOM 0 H LYS A 48 -7.187 2.724 -2.115 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.719 3.209 -3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.386 0.616 -2.635 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.756 0.769 -3.717 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.269 2.241 -4.485 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.213 0.492 -4.581 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.408 0.510 -6.490 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.716 1.374 -5.708 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.042 3.417 -6.508 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.338 3.036 -6.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.999 3.243 -8.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.509 1.649 -8.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.161 2.019 -8.488 1.00 0.00 H new ATOM 691 N ASN A 49 -9.437 2.278 -0.386 1.00 0.00 N ATOM 692 CA ASN A 49 -10.172 2.083 0.859 1.00 0.00 C ATOM 693 C ASN A 49 -9.274 2.330 2.067 1.00 0.00 C ATOM 694 O ASN A 49 -8.094 2.653 1.922 1.00 0.00 O ATOM 695 CB ASN A 49 -10.756 0.668 0.921 1.00 0.00 C ATOM 696 CG ASN A 49 -9.816 -0.378 0.350 1.00 0.00 C ATOM 697 OD1 ASN A 49 -10.112 -1.006 -0.666 1.00 0.00 O ATOM 698 ND2 ASN A 49 -8.677 -0.570 1.004 1.00 0.00 N ATOM 0 H ASN A 49 -8.423 2.302 -0.278 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.989 2.804 0.883 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.985 0.419 1.957 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.697 0.643 0.372 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.006 -1.261 0.668 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.473 -0.027 1.843 1.00 0.00 H new ATOM 705 N ASP A 50 -9.840 2.179 3.260 1.00 0.00 N ATOM 706 CA ASP A 50 -9.092 2.387 4.495 1.00 0.00 C ATOM 707 C ASP A 50 -8.407 1.098 4.943 1.00 0.00 C ATOM 708 O ASP A 50 -8.610 0.633 6.065 1.00 0.00 O ATOM 709 CB ASP A 50 -10.020 2.899 5.598 1.00 0.00 C ATOM 710 CG ASP A 50 -11.264 2.047 5.752 1.00 0.00 C ATOM 711 OD1 ASP A 50 -12.099 2.043 4.822 1.00 0.00 O ATOM 712 OD2 ASP A 50 -11.403 1.383 6.800 1.00 0.00 O ATOM 0 H ASP A 50 -10.815 1.913 3.398 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.323 3.135 4.302 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.478 2.919 6.544 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.312 3.925 5.375 1.00 0.00 H new ATOM 717 N GLY A 51 -7.596 0.528 4.059 1.00 0.00 N ATOM 718 CA GLY A 51 -6.892 -0.701 4.381 1.00 0.00 C ATOM 719 C GLY A 51 -7.826 -1.810 4.829 1.00 0.00 C ATOM 720 O GLY A 51 -7.420 -2.715 5.557 1.00 0.00 O ATOM 0 H GLY A 51 -7.413 0.894 3.125 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.332 -1.034 3.507 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.165 -0.503 5.169 1.00 0.00 H new ATOM 724 N ALA A 52 -9.080 -1.739 4.393 1.00 0.00 N ATOM 725 CA ALA A 52 -10.072 -2.744 4.755 1.00 0.00 C ATOM 726 C ALA A 52 -10.680 -3.387 3.514 1.00 0.00 C ATOM 727 O ALA A 52 -11.467 -2.762 2.801 1.00 0.00 O ATOM 728 CB ALA A 52 -11.160 -2.124 5.618 1.00 0.00 C ATOM 0 H ALA A 52 -9.432 -0.996 3.789 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.571 -3.524 5.327 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.894 -2.886 5.881 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.716 -1.718 6.527 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.651 -1.323 5.065 1.00 0.00 H new ATOM 734 N VAL A 53 -10.312 -4.638 3.260 1.00 0.00 N ATOM 735 CA VAL A 53 -10.821 -5.366 2.104 1.00 0.00 C ATOM 736 C VAL A 53 -11.902 -6.359 2.515 1.00 0.00 C ATOM 737 O VAL A 53 -11.647 -7.290 3.278 1.00 0.00 O ATOM 738 CB VAL A 53 -9.695 -6.122 1.376 1.00 0.00 C ATOM 739 CG1 VAL A 53 -10.203 -6.707 0.067 1.00 0.00 C ATOM 740 CG2 VAL A 53 -8.506 -5.205 1.132 1.00 0.00 C ATOM 0 H VAL A 53 -9.662 -5.169 3.840 1.00 0.00 H new ATOM 0 HA VAL A 53 -11.248 -4.627 1.426 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.366 -6.944 2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.393 -7.238 -0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.019 -7.400 0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.562 -5.903 -0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.720 -5.757 0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.818 -4.360 0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.126 -4.840 2.086 1.00 0.00 H new ATOM 750 N ALA A 54 -13.113 -6.153 2.003 1.00 0.00 N ATOM 751 CA ALA A 54 -14.234 -7.030 2.317 1.00 0.00 C ATOM 752 C ALA A 54 -14.540 -7.020 3.810 1.00 0.00 C ATOM 753 O ALA A 54 -15.030 -8.006 4.360 1.00 0.00 O ATOM 754 CB ALA A 54 -13.942 -8.448 1.846 1.00 0.00 C ATOM 0 H ALA A 54 -13.341 -5.387 1.370 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.113 -6.656 1.791 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.787 -9.093 2.087 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.782 -8.447 0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -13.048 -8.820 2.346 1.00 0.00 H new ATOM 760 N GLY A 55 -14.249 -5.899 4.462 1.00 0.00 N ATOM 761 CA GLY A 55 -14.501 -5.782 5.887 1.00 0.00 C ATOM 762 C GLY A 55 -13.271 -6.078 6.721 1.00 0.00 C ATOM 763 O GLY A 55 -13.118 -5.552 7.824 1.00 0.00 O ATOM 0 H GLY A 55 -13.843 -5.069 4.029 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.852 -4.774 6.109 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.300 -6.467 6.169 1.00 0.00 H new ATOM 767 N THR A 56 -12.390 -6.923 6.194 1.00 0.00 N ATOM 768 CA THR A 56 -11.166 -7.289 6.898 1.00 0.00 C ATOM 769 C THR A 56 -10.120 -6.186 6.782 1.00 0.00 C ATOM 770 O THR A 56 -9.607 -5.914 5.696 1.00 0.00 O ATOM 771 CB THR A 56 -10.607 -8.599 6.341 1.00 0.00 C ATOM 772 OG1 THR A 56 -11.643 -9.546 6.151 1.00 0.00 O ATOM 773 CG2 THR A 56 -9.564 -9.233 7.236 1.00 0.00 C ATOM 0 H THR A 56 -12.501 -7.367 5.282 1.00 0.00 H new ATOM 0 HA THR A 56 -11.409 -7.424 7.952 1.00 0.00 H new ATOM 0 HB THR A 56 -10.137 -8.333 5.394 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.266 -10.376 5.793 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.209 -10.158 6.782 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.727 -8.546 7.362 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.004 -9.451 8.209 1.00 0.00 H new ATOM 781 N ARG A 57 -9.808 -5.551 7.908 1.00 0.00 N ATOM 782 CA ARG A 57 -8.823 -4.477 7.933 1.00 0.00 C ATOM 783 C ARG A 57 -7.549 -4.924 8.643 1.00 0.00 C ATOM 784 O ARG A 57 -7.544 -5.134 9.857 1.00 0.00 O ATOM 785 CB ARG A 57 -9.402 -3.243 8.628 1.00 0.00 C ATOM 786 CG ARG A 57 -8.450 -2.058 8.658 1.00 0.00 C ATOM 787 CD ARG A 57 -9.144 -0.800 9.151 1.00 0.00 C ATOM 788 NE ARG A 57 -9.924 -1.043 10.363 1.00 0.00 N ATOM 789 CZ ARG A 57 -9.385 -1.260 11.560 1.00 0.00 C ATOM 790 NH1 ARG A 57 -8.066 -1.265 11.712 1.00 0.00 N ATOM 791 NH2 ARG A 57 -10.166 -1.472 12.611 1.00 0.00 N ATOM 0 H ARG A 57 -10.224 -5.763 8.815 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.573 -4.222 6.903 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.320 -2.948 8.120 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.674 -3.506 9.650 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.604 -2.286 9.306 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.049 -1.886 7.659 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.399 -0.029 9.348 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.800 -0.418 8.369 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.941 -1.046 10.287 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.459 -1.102 10.908 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.659 -1.432 12.632 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.180 -1.469 12.502 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.752 -1.638 13.528 1.00 0.00 H new ATOM 805 N TYR A 58 -6.470 -5.067 7.880 1.00 0.00 N ATOM 806 CA TYR A 58 -5.191 -5.490 8.437 1.00 0.00 C ATOM 807 C TYR A 58 -4.537 -4.357 9.222 1.00 0.00 C ATOM 808 O TYR A 58 -3.980 -4.575 10.297 1.00 0.00 O ATOM 809 CB TYR A 58 -4.254 -5.958 7.321 1.00 0.00 C ATOM 810 CG TYR A 58 -4.908 -6.899 6.335 1.00 0.00 C ATOM 811 CD1 TYR A 58 -5.549 -6.413 5.201 1.00 0.00 C ATOM 812 CD2 TYR A 58 -4.886 -8.274 6.535 1.00 0.00 C ATOM 813 CE1 TYR A 58 -6.148 -7.269 4.297 1.00 0.00 C ATOM 814 CE2 TYR A 58 -5.481 -9.136 5.635 1.00 0.00 C ATOM 815 CZ TYR A 58 -6.111 -8.629 4.518 1.00 0.00 C ATOM 816 OH TYR A 58 -6.706 -9.484 3.620 1.00 0.00 O ATOM 0 H TYR A 58 -6.456 -4.896 6.875 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.378 -6.320 9.118 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.878 -5.087 6.784 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.392 -6.454 7.766 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.579 -5.348 5.024 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.395 -8.675 7.409 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.643 -6.875 3.422 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.453 -10.202 5.805 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.589 -10.409 3.922 1.00 0.00 H new ATOM 826 N PHE A 59 -4.608 -3.147 8.676 1.00 0.00 N ATOM 827 CA PHE A 59 -4.022 -1.981 9.326 1.00 0.00 C ATOM 828 C PHE A 59 -5.039 -0.848 9.433 1.00 0.00 C ATOM 829 O PHE A 59 -5.877 -0.667 8.550 1.00 0.00 O ATOM 830 CB PHE A 59 -2.791 -1.505 8.553 1.00 0.00 C ATOM 831 CG PHE A 59 -3.088 -1.109 7.135 1.00 0.00 C ATOM 832 CD1 PHE A 59 -3.118 -2.060 6.127 1.00 0.00 C ATOM 833 CD2 PHE A 59 -3.338 0.214 6.809 1.00 0.00 C ATOM 834 CE1 PHE A 59 -3.391 -1.698 4.821 1.00 0.00 C ATOM 835 CE2 PHE A 59 -3.611 0.583 5.506 1.00 0.00 C ATOM 836 CZ PHE A 59 -3.638 -0.375 4.511 1.00 0.00 C ATOM 0 H PHE A 59 -5.065 -2.949 7.786 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.721 -2.271 10.333 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.351 -0.655 9.074 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.044 -2.299 8.551 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.926 -3.096 6.365 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.319 0.967 7.583 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.411 -2.448 4.045 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.803 1.618 5.266 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.852 -0.090 3.492 1.00 0.00 H new ATOM 846 N GLN A 60 -4.957 -0.087 10.520 1.00 0.00 N ATOM 847 CA GLN A 60 -5.869 1.029 10.742 1.00 0.00 C ATOM 848 C GLN A 60 -5.408 2.268 9.982 1.00 0.00 C ATOM 849 O GLN A 60 -4.277 2.725 10.147 1.00 0.00 O ATOM 850 CB GLN A 60 -5.970 1.340 12.237 1.00 0.00 C ATOM 851 CG GLN A 60 -6.965 2.442 12.563 1.00 0.00 C ATOM 852 CD GLN A 60 -8.402 1.964 12.509 1.00 0.00 C ATOM 853 OE1 GLN A 60 -8.876 1.280 13.416 1.00 0.00 O ATOM 854 NE2 GLN A 60 -9.105 2.323 11.440 1.00 0.00 N ATOM 0 H GLN A 60 -4.269 -0.223 11.260 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.853 0.743 10.370 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.257 0.433 12.770 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.986 1.629 12.607 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.754 2.835 13.558 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.833 3.265 11.861 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.672 2.891 10.712 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.078 2.031 11.348 1.00 0.00 H new ATOM 863 N CYS A 61 -6.291 2.806 9.147 1.00 0.00 N ATOM 864 CA CYS A 61 -5.974 3.992 8.360 1.00 0.00 C ATOM 865 C CYS A 61 -7.242 4.765 8.003 1.00 0.00 C ATOM 866 O CYS A 61 -8.330 4.193 7.941 1.00 0.00 O ATOM 867 CB CYS A 61 -5.225 3.597 7.085 1.00 0.00 C ATOM 868 SG CYS A 61 -3.426 3.734 7.212 1.00 0.00 S ATOM 0 H CYS A 61 -7.231 2.440 8.998 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.336 4.638 8.963 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.483 2.570 6.829 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.569 4.226 6.264 1.00 0.00 H new ATOM 0 HG CYS A 61 -2.875 2.645 6.764 1.00 0.00 H new ATOM 874 N PRO A 62 -7.118 6.082 7.763 1.00 0.00 N ATOM 875 CA PRO A 62 -8.262 6.932 7.410 1.00 0.00 C ATOM 876 C PRO A 62 -8.983 6.439 6.158 1.00 0.00 C ATOM 877 O PRO A 62 -8.503 5.540 5.468 1.00 0.00 O ATOM 878 CB PRO A 62 -7.630 8.306 7.156 1.00 0.00 C ATOM 879 CG PRO A 62 -6.327 8.272 7.877 1.00 0.00 C ATOM 880 CD PRO A 62 -5.859 6.846 7.815 1.00 0.00 C ATOM 0 HA PRO A 62 -9.019 6.938 8.195 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.486 8.483 6.090 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.267 9.108 7.529 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.604 8.941 7.409 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.443 8.600 8.910 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.240 6.663 6.937 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.262 6.580 8.687 1.00 0.00 H new ATOM 888 N PRO A 63 -10.153 7.026 5.846 1.00 0.00 N ATOM 889 CA PRO A 63 -10.939 6.641 4.670 1.00 0.00 C ATOM 890 C PRO A 63 -10.276 7.073 3.366 1.00 0.00 C ATOM 891 O PRO A 63 -9.916 8.238 3.197 1.00 0.00 O ATOM 892 CB PRO A 63 -12.263 7.383 4.868 1.00 0.00 C ATOM 893 CG PRO A 63 -11.915 8.560 5.712 1.00 0.00 C ATOM 894 CD PRO A 63 -10.799 8.108 6.614 1.00 0.00 C ATOM 0 HA PRO A 63 -11.050 5.560 4.590 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.690 7.692 3.914 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.003 6.749 5.358 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -11.602 9.403 5.096 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -12.776 8.892 6.293 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.103 8.919 6.829 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.177 7.750 7.572 1.00 0.00 H new ATOM 902 N LYS A 64 -10.119 6.126 2.446 1.00 0.00 N ATOM 903 CA LYS A 64 -9.499 6.408 1.156 1.00 0.00 C ATOM 904 C LYS A 64 -8.047 6.844 1.334 1.00 0.00 C ATOM 905 O LYS A 64 -7.596 7.807 0.712 1.00 0.00 O ATOM 906 CB LYS A 64 -10.284 7.491 0.414 1.00 0.00 C ATOM 907 CG LYS A 64 -11.782 7.232 0.365 1.00 0.00 C ATOM 908 CD LYS A 64 -12.214 6.711 -0.996 1.00 0.00 C ATOM 909 CE LYS A 64 -11.672 5.315 -1.256 1.00 0.00 C ATOM 910 NZ LYS A 64 -12.118 4.782 -2.574 1.00 0.00 N ATOM 0 H LYS A 64 -10.413 5.157 2.570 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.514 5.492 0.566 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.106 8.452 0.896 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.904 7.570 -0.605 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.053 6.509 1.135 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.319 8.153 0.590 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.302 6.696 -1.052 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.864 7.389 -1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.583 5.337 -1.223 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.002 4.644 -0.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.950 3.756 -2.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.133 4.971 -2.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.583 5.247 -3.335 1.00 0.00 H new ATOM 924 N PHE A 65 -7.320 6.130 2.187 1.00 0.00 N ATOM 925 CA PHE A 65 -5.919 6.442 2.447 1.00 0.00 C ATOM 926 C PHE A 65 -5.025 5.252 2.113 1.00 0.00 C ATOM 927 O PHE A 65 -4.054 5.383 1.368 1.00 0.00 O ATOM 928 CB PHE A 65 -5.727 6.844 3.911 1.00 0.00 C ATOM 929 CG PHE A 65 -5.820 8.326 4.144 1.00 0.00 C ATOM 930 CD1 PHE A 65 -6.907 9.047 3.675 1.00 0.00 C ATOM 931 CD2 PHE A 65 -4.822 8.996 4.831 1.00 0.00 C ATOM 932 CE1 PHE A 65 -6.995 10.410 3.888 1.00 0.00 C ATOM 933 CE2 PHE A 65 -4.904 10.359 5.047 1.00 0.00 C ATOM 934 CZ PHE A 65 -5.993 11.067 4.575 1.00 0.00 C ATOM 0 H PHE A 65 -7.678 5.331 2.710 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.635 7.278 1.808 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.479 6.341 4.519 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.753 6.491 4.252 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.694 8.538 3.137 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.969 8.447 5.203 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.847 10.961 3.517 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.118 10.870 5.584 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.060 12.132 4.743 1.00 0.00 H new ATOM 944 N GLY A 66 -5.360 4.092 2.669 1.00 0.00 N ATOM 945 CA GLY A 66 -4.579 2.897 2.418 1.00 0.00 C ATOM 946 C GLY A 66 -4.709 2.407 0.989 1.00 0.00 C ATOM 947 O GLY A 66 -5.806 2.084 0.534 1.00 0.00 O ATOM 0 H GLY A 66 -6.159 3.959 3.289 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.530 3.100 2.635 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.898 2.108 3.099 1.00 0.00 H new ATOM 951 N LEU A 67 -3.586 2.353 0.280 1.00 0.00 N ATOM 952 CA LEU A 67 -3.578 1.899 -1.106 1.00 0.00 C ATOM 953 C LEU A 67 -3.047 0.473 -1.209 1.00 0.00 C ATOM 954 O LEU A 67 -1.892 0.204 -0.877 1.00 0.00 O ATOM 955 CB LEU A 67 -2.727 2.835 -1.966 1.00 0.00 C ATOM 956 CG LEU A 67 -2.897 2.658 -3.477 1.00 0.00 C ATOM 957 CD1 LEU A 67 -3.789 3.750 -4.047 1.00 0.00 C ATOM 958 CD2 LEU A 67 -1.542 2.660 -4.171 1.00 0.00 C ATOM 0 H LEU A 67 -2.670 2.618 0.642 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.605 1.912 -1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.971 3.865 -1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.678 2.683 -1.713 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.375 1.695 -3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.898 3.607 -5.122 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.770 3.703 -3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.340 4.724 -3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.683 2.533 -5.244 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.037 3.607 -3.981 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.935 1.841 -3.785 1.00 0.00 H new ATOM 970 N PHE A 68 -3.898 -0.438 -1.671 1.00 0.00 N ATOM 971 CA PHE A 68 -3.513 -1.837 -1.818 1.00 0.00 C ATOM 972 C PHE A 68 -3.070 -2.132 -3.248 1.00 0.00 C ATOM 973 O PHE A 68 -3.882 -2.133 -4.172 1.00 0.00 O ATOM 974 CB PHE A 68 -4.677 -2.751 -1.431 1.00 0.00 C ATOM 975 CG PHE A 68 -4.568 -3.302 -0.037 1.00 0.00 C ATOM 976 CD1 PHE A 68 -3.407 -3.926 0.387 1.00 0.00 C ATOM 977 CD2 PHE A 68 -5.630 -3.197 0.848 1.00 0.00 C ATOM 978 CE1 PHE A 68 -3.303 -4.434 1.668 1.00 0.00 C ATOM 979 CE2 PHE A 68 -5.533 -3.702 2.131 1.00 0.00 C ATOM 980 CZ PHE A 68 -4.369 -4.321 2.541 1.00 0.00 C ATOM 0 H PHE A 68 -4.857 -0.233 -1.950 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.673 -2.030 -1.151 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.611 -2.196 -1.522 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.729 -3.579 -2.138 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.572 -4.017 -0.292 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.543 -2.715 0.531 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.391 -4.918 1.986 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.367 -3.612 2.812 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.291 -4.717 3.543 1.00 0.00 H new ATOM 990 N ALA A 69 -1.777 -2.383 -3.421 1.00 0.00 N ATOM 991 CA ALA A 69 -1.225 -2.681 -4.737 1.00 0.00 C ATOM 992 C ALA A 69 -0.234 -3.840 -4.667 1.00 0.00 C ATOM 993 O ALA A 69 0.419 -4.047 -3.644 1.00 0.00 O ATOM 994 CB ALA A 69 -0.558 -1.444 -5.320 1.00 0.00 C ATOM 0 H ALA A 69 -1.091 -2.386 -2.666 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.045 -2.979 -5.391 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.150 -1.680 -6.303 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.293 -0.645 -5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.247 -1.120 -4.661 1.00 0.00 H new ATOM 1000 N PRO A 70 -0.107 -4.612 -5.760 1.00 0.00 N ATOM 1001 CA PRO A 70 0.812 -5.754 -5.817 1.00 0.00 C ATOM 1002 C PRO A 70 2.234 -5.371 -5.421 1.00 0.00 C ATOM 1003 O PRO A 70 2.680 -4.253 -5.677 1.00 0.00 O ATOM 1004 CB PRO A 70 0.763 -6.180 -7.286 1.00 0.00 C ATOM 1005 CG PRO A 70 -0.560 -5.702 -7.777 1.00 0.00 C ATOM 1006 CD PRO A 70 -0.848 -4.433 -7.024 1.00 0.00 C ATOM 0 HA PRO A 70 0.524 -6.543 -5.122 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.580 -5.735 -7.854 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.856 -7.261 -7.388 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.535 -5.521 -8.852 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.335 -6.447 -7.597 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.505 -3.554 -7.570 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.916 -4.303 -6.849 1.00 0.00 H new ATOM 1014 N ILE A 71 2.942 -6.307 -4.797 1.00 0.00 N ATOM 1015 CA ILE A 71 4.314 -6.068 -4.367 1.00 0.00 C ATOM 1016 C ILE A 71 5.198 -5.672 -5.545 1.00 0.00 C ATOM 1017 O ILE A 71 5.991 -4.735 -5.452 1.00 0.00 O ATOM 1018 CB ILE A 71 4.911 -7.312 -3.678 1.00 0.00 C ATOM 1019 CG1 ILE A 71 6.311 -7.008 -3.142 1.00 0.00 C ATOM 1020 CG2 ILE A 71 4.949 -8.488 -4.642 1.00 0.00 C ATOM 1021 CD1 ILE A 71 6.916 -8.145 -2.350 1.00 0.00 C ATOM 0 H ILE A 71 2.588 -7.238 -4.578 1.00 0.00 H new ATOM 0 HA ILE A 71 4.285 -5.247 -3.650 1.00 0.00 H new ATOM 0 HB ILE A 71 4.273 -7.580 -2.836 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.967 -6.770 -3.979 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.264 -6.121 -2.511 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.373 -9.357 -4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.937 -8.719 -4.974 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.564 -8.232 -5.504 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.908 -7.858 -2.002 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.281 -8.369 -1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.995 -9.028 -2.984 1.00 0.00 H new ATOM 1033 N HIS A 72 5.058 -6.392 -6.653 1.00 0.00 N ATOM 1034 CA HIS A 72 5.843 -6.115 -7.849 1.00 0.00 C ATOM 1035 C HIS A 72 5.592 -4.696 -8.352 1.00 0.00 C ATOM 1036 O HIS A 72 6.454 -4.093 -8.992 1.00 0.00 O ATOM 1037 CB HIS A 72 5.510 -7.125 -8.949 1.00 0.00 C ATOM 1038 CG HIS A 72 4.066 -7.128 -9.341 1.00 0.00 C ATOM 1039 ND1 HIS A 72 3.177 -8.119 -8.989 1.00 0.00 N ATOM 1040 CD2 HIS A 72 3.356 -6.232 -10.074 1.00 0.00 C ATOM 1041 CE1 HIS A 72 1.981 -7.803 -9.507 1.00 0.00 C ATOM 1042 NE2 HIS A 72 2.038 -6.665 -10.174 1.00 0.00 N ATOM 0 H HIS A 72 4.408 -7.172 -6.747 1.00 0.00 H new ATOM 0 HA HIS A 72 6.897 -6.206 -7.588 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.116 -6.906 -9.828 1.00 0.00 H new ATOM 0 HB3 HIS A 72 5.788 -8.123 -8.611 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.752 -5.327 -10.510 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.089 -8.401 -9.393 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.273 -6.199 -10.662 1.00 0.00 H new ATOM 1050 N LYS A 73 4.408 -4.168 -8.058 1.00 0.00 N ATOM 1051 CA LYS A 73 4.046 -2.820 -8.480 1.00 0.00 C ATOM 1052 C LYS A 73 4.733 -1.773 -7.608 1.00 0.00 C ATOM 1053 O LYS A 73 5.021 -0.666 -8.061 1.00 0.00 O ATOM 1054 CB LYS A 73 2.529 -2.633 -8.421 1.00 0.00 C ATOM 1055 CG LYS A 73 1.809 -3.111 -9.672 1.00 0.00 C ATOM 1056 CD LYS A 73 1.716 -2.010 -10.716 1.00 0.00 C ATOM 1057 CE LYS A 73 1.934 -2.552 -12.118 1.00 0.00 C ATOM 1058 NZ LYS A 73 2.102 -1.460 -13.117 1.00 0.00 N ATOM 0 H LYS A 73 3.683 -4.653 -7.529 1.00 0.00 H new ATOM 0 HA LYS A 73 4.381 -2.687 -9.509 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.138 -3.172 -7.558 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.307 -1.577 -8.265 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.336 -3.968 -10.091 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.807 -3.450 -9.409 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.738 -1.533 -10.657 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.459 -1.241 -10.503 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.817 -3.191 -12.127 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.086 -3.176 -12.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.248 -1.872 -14.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.249 -0.865 -13.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.926 -0.879 -12.861 1.00 0.00 H new ATOM 1072 N VAL A 74 4.990 -2.129 -6.354 1.00 0.00 N ATOM 1073 CA VAL A 74 5.641 -1.220 -5.420 1.00 0.00 C ATOM 1074 C VAL A 74 7.073 -0.920 -5.854 1.00 0.00 C ATOM 1075 O VAL A 74 7.753 -1.778 -6.416 1.00 0.00 O ATOM 1076 CB VAL A 74 5.661 -1.797 -3.991 1.00 0.00 C ATOM 1077 CG1 VAL A 74 6.196 -0.769 -3.005 1.00 0.00 C ATOM 1078 CG2 VAL A 74 4.270 -2.263 -3.582 1.00 0.00 C ATOM 0 H VAL A 74 4.757 -3.041 -5.962 1.00 0.00 H new ATOM 0 HA VAL A 74 5.061 -0.297 -5.422 1.00 0.00 H new ATOM 0 HB VAL A 74 6.327 -2.660 -3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.202 -1.196 -2.002 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.211 -0.489 -3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.559 0.115 -3.019 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.305 -2.667 -2.570 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.580 -1.420 -3.613 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.928 -3.036 -4.270 1.00 0.00 H new ATOM 1088 N ILE A 75 7.523 0.302 -5.590 1.00 0.00 N ATOM 1089 CA ILE A 75 8.872 0.714 -5.954 1.00 0.00 C ATOM 1090 C ILE A 75 9.556 1.436 -4.799 1.00 0.00 C ATOM 1091 O ILE A 75 9.098 2.487 -4.351 1.00 0.00 O ATOM 1092 CB ILE A 75 8.865 1.637 -7.188 1.00 0.00 C ATOM 1093 CG1 ILE A 75 8.013 1.028 -8.304 1.00 0.00 C ATOM 1094 CG2 ILE A 75 10.285 1.883 -7.674 1.00 0.00 C ATOM 1095 CD1 ILE A 75 7.812 1.953 -9.484 1.00 0.00 C ATOM 0 H ILE A 75 6.972 1.024 -5.125 1.00 0.00 H new ATOM 0 HA ILE A 75 9.426 -0.194 -6.192 1.00 0.00 H new ATOM 0 HB ILE A 75 8.428 2.594 -6.904 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.485 0.108 -8.650 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.039 0.753 -7.898 1.00 0.00 H new ATOM 0 HG21 ILE A 75 10.263 2.537 -8.546 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.864 2.356 -6.881 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.747 0.933 -7.944 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.199 1.456 -10.236 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.312 2.863 -9.152 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.780 2.208 -9.916 1.00 0.00 H new ATOM 1107 N ARG A 76 10.658 0.865 -4.320 1.00 0.00 N ATOM 1108 CA ARG A 76 11.406 1.454 -3.216 1.00 0.00 C ATOM 1109 C ARG A 76 11.989 2.806 -3.614 1.00 0.00 C ATOM 1110 O ARG A 76 12.604 2.941 -4.672 1.00 0.00 O ATOM 1111 CB ARG A 76 12.526 0.511 -2.772 1.00 0.00 C ATOM 1112 CG ARG A 76 12.696 0.435 -1.264 1.00 0.00 C ATOM 1113 CD ARG A 76 13.416 -0.838 -0.848 1.00 0.00 C ATOM 1114 NE ARG A 76 13.920 -0.762 0.521 1.00 0.00 N ATOM 1115 CZ ARG A 76 14.548 -1.761 1.138 1.00 0.00 C ATOM 1116 NH1 ARG A 76 14.751 -2.913 0.511 1.00 0.00 N ATOM 1117 NH2 ARG A 76 14.973 -1.608 2.384 1.00 0.00 N ATOM 0 H ARG A 76 11.052 -0.005 -4.680 1.00 0.00 H new ATOM 0 HA ARG A 76 10.719 1.607 -2.384 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.322 -0.488 -3.157 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.464 0.839 -3.219 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.257 1.302 -0.916 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.718 0.475 -0.784 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.735 -1.685 -0.937 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.246 -1.024 -1.530 1.00 0.00 H new ATOM 0 HE ARG A 76 13.783 0.108 1.035 1.00 0.00 H new ATOM 0 HH11 ARG A 76 14.425 -3.036 -0.448 1.00 0.00 H new ATOM 0 HH12 ARG A 76 15.233 -3.675 0.988 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.819 -0.725 2.871 1.00 0.00 H new ATOM 0 HH22 ARG A 76 15.454 -2.373 2.856 1.00 0.00 H new ATOM 1131 N ILE A 77 11.793 3.805 -2.760 1.00 0.00 N ATOM 1132 CA ILE A 77 12.299 5.147 -3.022 1.00 0.00 C ATOM 1133 C ILE A 77 12.851 5.784 -1.752 1.00 0.00 C ATOM 1134 O ILE A 77 12.807 7.004 -1.588 1.00 0.00 O ATOM 1135 CB ILE A 77 11.204 6.057 -3.605 1.00 0.00 C ATOM 1136 CG1 ILE A 77 9.926 5.956 -2.769 1.00 0.00 C ATOM 1137 CG2 ILE A 77 10.924 5.691 -5.055 1.00 0.00 C ATOM 1138 CD1 ILE A 77 9.228 7.284 -2.570 1.00 0.00 C ATOM 0 H ILE A 77 11.287 3.710 -1.880 1.00 0.00 H new ATOM 0 HA ILE A 77 13.102 5.045 -3.752 1.00 0.00 H new ATOM 0 HB ILE A 77 11.557 7.088 -3.573 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.239 5.262 -3.253 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.171 5.534 -1.794 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.147 6.344 -5.452 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.834 5.811 -5.643 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.590 4.655 -5.111 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.331 7.137 -1.969 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.899 7.974 -2.058 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.951 7.698 -3.539 1.00 0.00 H new ATOM 1150 N GLY A 78 13.371 4.952 -0.856 1.00 0.00 N ATOM 1151 CA GLY A 78 13.925 5.452 0.389 1.00 0.00 C ATOM 1152 C GLY A 78 15.439 5.503 0.371 1.00 0.00 C ATOM 1153 O GLY A 78 16.095 4.950 1.253 1.00 0.00 O ATOM 0 H GLY A 78 13.419 3.939 -0.970 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.533 6.451 0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.596 4.816 1.211 1.00 0.00 H new ATOM 1157 N SER A 79 15.996 6.169 -0.636 1.00 0.00 N ATOM 1158 CA SER A 79 17.443 6.289 -0.764 1.00 0.00 C ATOM 1159 C SER A 79 17.852 7.742 -0.994 1.00 0.00 C ATOM 1160 O SER A 79 17.025 8.578 -1.361 1.00 0.00 O ATOM 1161 CB SER A 79 17.948 5.415 -1.914 1.00 0.00 C ATOM 1162 OG SER A 79 19.000 4.567 -1.485 1.00 0.00 O ATOM 0 H SER A 79 15.467 6.633 -1.374 1.00 0.00 H new ATOM 0 HA SER A 79 17.895 5.948 0.168 1.00 0.00 H new ATOM 0 HB2 SER A 79 17.128 4.813 -2.305 1.00 0.00 H new ATOM 0 HB3 SER A 79 18.296 6.048 -2.730 1.00 0.00 H new ATOM 0 HG SER A 79 19.304 4.017 -2.237 1.00 0.00 H new ATOM 1168 N GLY A 80 19.129 8.035 -0.775 1.00 0.00 N ATOM 1169 CA GLY A 80 19.622 9.387 -0.965 1.00 0.00 C ATOM 1170 C GLY A 80 21.128 9.436 -1.146 1.00 0.00 C ATOM 1171 O GLY A 80 21.623 9.321 -2.267 1.00 0.00 O ATOM 0 H GLY A 80 19.831 7.361 -0.470 1.00 0.00 H new ATOM 0 HA2 GLY A 80 19.140 9.827 -1.838 1.00 0.00 H new ATOM 0 HA3 GLY A 80 19.342 9.996 -0.106 1.00 0.00 H new ATOM 1175 N PRO A 81 21.890 9.607 -0.052 1.00 0.00 N ATOM 1176 CA PRO A 81 23.354 9.669 -0.110 1.00 0.00 C ATOM 1177 C PRO A 81 23.954 8.474 -0.843 1.00 0.00 C ATOM 1178 O PRO A 81 25.005 8.583 -1.473 1.00 0.00 O ATOM 1179 CB PRO A 81 23.772 9.660 1.362 1.00 0.00 C ATOM 1180 CG PRO A 81 22.595 10.205 2.094 1.00 0.00 C ATOM 1181 CD PRO A 81 21.385 9.752 1.326 1.00 0.00 C ATOM 0 HA PRO A 81 23.703 10.544 -0.658 1.00 0.00 H new ATOM 0 HB2 PRO A 81 24.015 8.652 1.698 1.00 0.00 H new ATOM 0 HB3 PRO A 81 24.658 10.273 1.525 1.00 0.00 H new ATOM 0 HG2 PRO A 81 22.568 9.836 3.119 1.00 0.00 H new ATOM 0 HG3 PRO A 81 22.638 11.293 2.148 1.00 0.00 H new ATOM 0 HD2 PRO A 81 20.993 8.811 1.712 1.00 0.00 H new ATOM 0 HD3 PRO A 81 20.577 10.481 1.383 1.00 0.00 H new ATOM 1189 N SER A 82 23.279 7.331 -0.753 1.00 0.00 N ATOM 1190 CA SER A 82 23.745 6.115 -1.407 1.00 0.00 C ATOM 1191 C SER A 82 23.007 5.888 -2.723 1.00 0.00 C ATOM 1192 O SER A 82 22.730 4.750 -3.102 1.00 0.00 O ATOM 1193 CB SER A 82 23.552 4.909 -0.486 1.00 0.00 C ATOM 1194 OG SER A 82 24.544 4.876 0.526 1.00 0.00 O ATOM 0 H SER A 82 22.408 7.223 -0.233 1.00 0.00 H new ATOM 0 HA SER A 82 24.807 6.232 -1.622 1.00 0.00 H new ATOM 0 HB2 SER A 82 22.563 4.951 -0.029 1.00 0.00 H new ATOM 0 HB3 SER A 82 23.594 3.990 -1.071 1.00 0.00 H new ATOM 0 HG SER A 82 24.398 4.097 1.102 1.00 0.00 H new ATOM 1200 N SER A 83 22.689 6.978 -3.413 1.00 0.00 N ATOM 1201 CA SER A 83 21.982 6.898 -4.686 1.00 0.00 C ATOM 1202 C SER A 83 22.860 7.397 -5.829 1.00 0.00 C ATOM 1203 O SER A 83 23.219 6.635 -6.727 1.00 0.00 O ATOM 1204 CB SER A 83 20.690 7.716 -4.628 1.00 0.00 C ATOM 1205 OG SER A 83 19.807 7.350 -5.674 1.00 0.00 O ATOM 0 H SER A 83 22.910 7.927 -3.112 1.00 0.00 H new ATOM 0 HA SER A 83 21.735 5.852 -4.870 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.202 7.563 -3.666 1.00 0.00 H new ATOM 0 HB3 SER A 83 20.925 8.778 -4.701 1.00 0.00 H new ATOM 0 HG SER A 83 18.989 7.886 -5.614 1.00 0.00 H new ATOM 1211 N GLY A 84 23.203 8.680 -5.789 1.00 0.00 N ATOM 1212 CA GLY A 84 24.036 9.258 -6.826 1.00 0.00 C ATOM 1213 C GLY A 84 23.346 9.286 -8.177 1.00 0.00 C ATOM 1214 O GLY A 84 24.054 9.332 -9.205 1.00 0.00 O ATOM 1215 OXT GLY A 84 22.098 9.260 -8.205 1.00 0.00 O ATOM 0 H GLY A 84 22.919 9.330 -5.056 1.00 0.00 H new ATOM 0 HA2 GLY A 84 24.312 10.273 -6.542 1.00 0.00 H new ATOM 0 HA3 GLY A 84 24.961 8.686 -6.906 1.00 0.00 H new TER 1219 GLY A 84