USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 571 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 101 SER OG : rot -65:sc= 1.22 USER MOD Set 1.2: A 103 TYR OH : rot 100:sc= 1.15 USER MOD Single : A 41 LYS NZ :NH3+ -163:sc= 1.28 (180deg=1.12) USER MOD Single : A 43 SER OG : rot -102:sc= 0.369 USER MOD Single : A 49 TYR OH : rot 180:sc= -0.0224 USER MOD Single : A 50 ASN : amide:sc= 0.642! C(o=0.64!,f=-9.6!) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 116:sc= 0.0302 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.99 K(o=-0.99,f=-4.7!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 150:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 31:sc= 1.08 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0.269 K(o=0.27,f=-0.4) USER MOD Single : A 90 GLN : amide:sc= -0.061 X(o=-0.061,f=-0.075) USER MOD Single : A 91 GLN : amide:sc= -0.0831 K(o=-0.083,f=-1.5) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 123:sc= 1.2 USER MOD Single : A 107 SER OG : rot -170:sc= -0.24 USER MOD Single : A 108 GLN : amide:sc= 0.37 X(o=0.37,f=-0.039) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0.133 X(o=0.13,f=-0.0044) USER MOD ----------------------------------------------------------------- ATOM 28 N PRO A 40 4.238 4.426 -0.128 1.00 0.00 N0 ATOM 29 CA PRO A 40 5.384 4.648 -1.002 1.00 0.00 C0 ATOM 30 C PRO A 40 6.677 4.188 -0.340 1.00 0.00 C0 ATOM 31 O PRO A 40 6.879 4.391 0.856 1.00 0.00 O0 ATOM 32 CB PRO A 40 5.367 6.165 -1.215 1.00 0.00 C0 ATOM 33 CG PRO A 40 3.935 6.542 -1.038 1.00 0.00 C0 ATOM 34 CD PRO A 40 3.450 5.655 0.077 1.00 0.00 C0 ATOM 0 HA PRO A 40 5.330 4.088 -1.936 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.006 6.676 -0.494 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.730 6.432 -2.208 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.830 7.596 -0.781 1.00 0.00 H new ATOM 0 HG3 PRO A 40 3.365 6.378 -1.953 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.634 6.097 1.056 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.379 5.466 0.009 1.00 0.00 H new ATOM 42 N LYS A 41 7.551 3.570 -1.127 1.00 0.00 N0 ATOM 43 CA LYS A 41 8.823 3.073 -0.618 1.00 0.00 C0 ATOM 44 C LYS A 41 9.635 4.191 0.022 1.00 0.00 C0 ATOM 45 O LYS A 41 9.937 5.198 -0.620 1.00 0.00 O0 ATOM 46 CB LYS A 41 9.628 2.413 -1.739 1.00 0.00 C0 ATOM 47 CG LYS A 41 10.973 1.851 -1.300 1.00 0.00 C0 ATOM 48 CD LYS A 41 10.799 0.607 -0.440 1.00 0.00 C0 ATOM 49 CE LYS A 41 12.143 0.004 -0.058 1.00 0.00 C0 ATOM 50 NZ LYS A 41 11.987 -1.205 0.794 1.00 0.00 N0 ATOM 0 H LYS A 41 7.401 3.401 -2.122 1.00 0.00 H new ATOM 0 HA LYS A 41 8.607 2.328 0.148 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.034 1.607 -2.170 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.794 3.145 -2.530 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.572 1.608 -2.178 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.521 2.609 -0.740 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.243 0.861 0.462 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.208 -0.132 -0.981 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.693 -0.257 -0.962 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.737 0.748 0.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.890 -1.416 1.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.254 -1.032 1.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.708 -2.013 0.202 1.00 0.00 H new ATOM 64 N GLY A 42 9.986 4.009 1.291 1.00 0.00 N0 ATOM 65 CA GLY A 42 10.754 5.008 2.024 1.00 0.00 C0 ATOM 66 C GLY A 42 9.940 5.595 3.171 1.00 0.00 C0 ATOM 67 O GLY A 42 10.498 6.112 4.140 1.00 0.00 O0 ATOM 0 H GLY A 42 9.750 3.178 1.833 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.665 4.555 2.415 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.060 5.805 1.346 1.00 0.00 H new ATOM 71 N SER A 43 8.619 5.512 3.055 1.00 0.00 N0 ATOM 72 CA SER A 43 7.726 6.057 4.070 1.00 0.00 C0 ATOM 73 C SER A 43 7.908 5.342 5.404 1.00 0.00 C0 ATOM 74 O SER A 43 7.901 4.113 5.466 1.00 0.00 O0 ATOM 75 CB SER A 43 6.285 5.938 3.616 1.00 0.00 C0 ATOM 76 OG SER A 43 5.406 6.380 4.613 1.00 0.00 O0 ATOM 0 H SER A 43 8.143 5.072 2.267 1.00 0.00 H new ATOM 0 HA SER A 43 7.976 7.109 4.208 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.136 6.524 2.709 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.064 4.901 3.365 1.00 0.00 H new ATOM 0 HG SER A 43 5.008 5.607 5.064 1.00 0.00 H new ATOM 82 N ALA A 44 8.068 6.119 6.469 1.00 0.00 N0 ATOM 83 CA ALA A 44 8.231 5.563 7.806 1.00 0.00 C0 ATOM 84 C ALA A 44 7.057 5.932 8.703 1.00 0.00 C0 ATOM 85 O ALA A 44 6.479 7.011 8.573 1.00 0.00 O0 ATOM 86 CB ALA A 44 9.539 6.039 8.424 1.00 0.00 C0 ATOM 0 H ALA A 44 8.088 7.138 6.432 1.00 0.00 H new ATOM 0 HA ALA A 44 8.259 4.477 7.716 1.00 0.00 H new ATOM 0 HB1 ALA A 44 9.645 5.615 9.422 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.374 5.717 7.802 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.535 7.127 8.491 1.00 0.00 H new ATOM 92 N PHE A 45 6.708 5.031 9.614 1.00 0.00 N0 ATOM 93 CA PHE A 45 5.553 5.226 10.483 1.00 0.00 C0 ATOM 94 C PHE A 45 5.941 5.102 11.951 1.00 0.00 C0 ATOM 95 O PHE A 45 6.725 4.229 12.325 1.00 0.00 O0 ATOM 96 CB PHE A 45 4.458 4.211 10.153 1.00 0.00 C0 ATOM 97 CG PHE A 45 3.863 4.385 8.784 1.00 0.00 C0 ATOM 98 CD1 PHE A 45 4.433 3.766 7.681 1.00 0.00 C0 ATOM 99 CD2 PHE A 45 2.736 5.169 8.596 1.00 0.00 C0 ATOM 100 CE1 PHE A 45 3.887 3.925 6.422 1.00 0.00 C0 ATOM 101 CE2 PHE A 45 2.187 5.328 7.338 1.00 0.00 C0 ATOM 102 CZ PHE A 45 2.765 4.706 6.250 1.00 0.00 C0 ATOM 0 H PHE A 45 7.209 4.157 9.770 1.00 0.00 H new ATOM 0 HA PHE A 45 5.174 6.233 10.309 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.871 3.206 10.234 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.665 4.291 10.897 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.313 3.153 7.808 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.281 5.662 9.443 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.340 3.437 5.572 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.306 5.939 7.206 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.339 4.831 5.266 1.00 0.00 H new ATOM 112 N VAL A 46 5.387 5.980 12.781 1.00 0.00 N0 ATOM 113 CA VAL A 46 5.560 5.883 14.225 1.00 0.00 C0 ATOM 114 C VAL A 46 4.227 5.640 14.924 1.00 0.00 C0 ATOM 115 O VAL A 46 3.358 6.510 14.942 1.00 0.00 O0 ATOM 116 CB VAL A 46 6.195 7.174 14.775 1.00 0.00 C0 ATOM 117 CG1 VAL A 46 6.377 7.077 16.282 1.00 0.00 C0 ATOM 118 CG2 VAL A 46 7.528 7.428 14.087 1.00 0.00 C0 ATOM 0 H VAL A 46 4.814 6.767 12.477 1.00 0.00 H new ATOM 0 HA VAL A 46 6.219 5.038 14.424 1.00 0.00 H new ATOM 0 HB VAL A 46 5.530 8.012 14.568 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.827 7.997 16.654 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.407 6.929 16.757 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.028 6.235 16.516 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.972 8.342 14.480 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.199 6.590 14.273 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.369 7.534 13.014 1.00 0.00 H new ATOM 128 N ARG A 47 4.074 4.451 15.497 1.00 0.00 N0 ATOM 129 CA ARG A 47 2.820 4.062 16.130 1.00 0.00 C0 ATOM 130 C ARG A 47 2.798 4.459 17.600 1.00 0.00 C0 ATOM 131 O ARG A 47 3.462 3.839 18.431 1.00 0.00 O0 ATOM 132 CB ARG A 47 2.603 2.560 16.011 1.00 0.00 C0 ATOM 133 CG ARG A 47 1.328 2.045 16.658 1.00 0.00 C0 ATOM 134 CD ARG A 47 0.951 0.705 16.138 1.00 0.00 C0 ATOM 135 NE ARG A 47 0.560 0.757 14.738 1.00 0.00 N0 ATOM 136 CZ ARG A 47 0.288 -0.323 13.980 1.00 0.00 C0 ATOM 137 NH1 ARG A 47 0.367 -1.528 14.499 1.00 0.00 N0 ATOM 138 NH2 ARG A 47 -0.060 -0.170 12.714 1.00 0.00 N0 ATOM 0 H ARG A 47 4.804 3.740 15.536 1.00 0.00 H new ATOM 0 HA ARG A 47 2.017 4.586 15.613 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.591 2.292 14.955 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.454 2.048 16.460 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.464 1.991 17.738 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.516 2.749 16.474 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.791 0.021 16.255 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.128 0.304 16.730 1.00 0.00 H new ATOM 0 HE ARG A 47 0.487 1.675 14.300 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.634 -1.646 15.476 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.161 -2.345 13.925 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.122 0.765 12.312 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.266 -0.987 12.139 1.00 0.00 H new ATOM 152 N ALA A 48 2.032 5.498 17.916 1.00 0.00 N0 ATOM 153 CA ALA A 48 1.897 5.960 19.292 1.00 0.00 C0 ATOM 154 C ALA A 48 0.881 5.124 20.057 1.00 0.00 C0 ATOM 155 O ALA A 48 -0.114 4.669 19.492 1.00 0.00 O0 ATOM 156 CB ALA A 48 1.502 7.429 19.321 1.00 0.00 C0 ATOM 0 H ALA A 48 1.495 6.036 17.236 1.00 0.00 H new ATOM 0 HA ALA A 48 2.864 5.845 19.781 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.405 7.759 20.355 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.268 8.022 18.821 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.549 7.560 18.808 1.00 0.00 H new ATOM 162 N TYR A 49 1.135 4.923 21.345 1.00 0.00 N0 ATOM 163 CA TYR A 49 0.229 4.161 22.196 1.00 0.00 C0 ATOM 164 C TYR A 49 -0.178 4.962 23.425 1.00 0.00 C0 ATOM 165 O TYR A 49 0.671 5.500 24.138 1.00 0.00 O0 ATOM 166 CB TYR A 49 0.875 2.838 22.616 1.00 0.00 C0 ATOM 167 CG TYR A 49 0.032 2.024 23.573 1.00 0.00 C0 ATOM 168 CD1 TYR A 49 -1.098 1.363 23.112 1.00 0.00 C0 ATOM 169 CD2 TYR A 49 0.389 1.939 24.911 1.00 0.00 C0 ATOM 170 CE1 TYR A 49 -1.867 0.620 23.987 1.00 0.00 C0 ATOM 171 CE2 TYR A 49 -0.380 1.196 25.785 1.00 0.00 C0 ATOM 172 CZ TYR A 49 -1.504 0.539 25.326 1.00 0.00 C0 ATOM 173 OH TYR A 49 -2.271 -0.202 26.198 1.00 0.00 O0 ATOM 0 H TYR A 49 1.963 5.278 21.824 1.00 0.00 H new ATOM 0 HA TYR A 49 -0.671 3.947 21.619 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.074 2.243 21.725 1.00 0.00 H new ATOM 0 HB3 TYR A 49 1.838 3.046 23.082 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.376 1.429 22.070 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.268 2.454 25.269 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.747 0.104 23.632 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.102 1.129 26.827 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.881 -0.157 27.096 1.00 0.00 H new ATOM 183 N ASN A 50 -1.481 5.042 23.669 1.00 0.00 N0 ATOM 184 CA ASN A 50 -2.005 5.783 24.811 1.00 0.00 C0 ATOM 185 C ASN A 50 -2.028 4.917 26.064 1.00 0.00 C0 ATOM 186 O ASN A 50 -2.974 4.164 26.293 1.00 0.00 O0 ATOM 187 CB ASN A 50 -3.390 6.322 24.509 1.00 0.00 C0 ATOM 188 CG ASN A 50 -3.931 7.180 25.618 1.00 0.00 C0 ATOM 189 OD1 ASN A 50 -3.562 7.011 26.786 1.00 0.00 O0 ATOM 190 ND2 ASN A 50 -4.800 8.097 25.277 1.00 0.00 N0 ATOM 0 H ASN A 50 -2.196 4.602 23.090 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.340 6.626 24.997 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -3.356 6.904 23.588 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -4.070 5.488 24.335 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.202 8.708 25.988 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.075 8.201 24.300 1.00 0.00 H new ATOM 197 N ALA A 51 -0.981 5.030 26.875 1.00 0.00 N0 ATOM 198 CA ALA A 51 -0.846 4.209 28.072 1.00 0.00 C0 ATOM 199 C ALA A 51 -1.456 4.899 29.285 1.00 0.00 C0 ATOM 200 O ALA A 51 -1.287 4.448 30.418 1.00 0.00 O0 ATOM 201 CB ALA A 51 0.617 3.882 28.329 1.00 0.00 C0 ATOM 0 H ALA A 51 -0.213 5.684 26.724 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.390 3.279 27.905 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.701 3.269 29.226 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.023 3.336 27.477 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.177 4.806 28.468 1.00 0.00 H new ATOM 207 N GLY A 52 -2.165 5.995 29.041 1.00 0.00 N0 ATOM 208 CA GLY A 52 -2.785 6.761 30.116 1.00 0.00 C0 ATOM 209 C GLY A 52 -4.249 6.377 30.293 1.00 0.00 C0 ATOM 210 O GLY A 52 -4.717 5.394 29.718 1.00 0.00 O0 ATOM 0 H GLY A 52 -2.325 6.374 28.107 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.246 6.588 31.047 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.710 7.826 29.897 1.00 0.00 H new ATOM 214 N ASN A 53 -4.968 7.158 31.091 1.00 0.00 N0 ATOM 215 CA ASN A 53 -6.378 6.896 31.353 1.00 0.00 C0 ATOM 216 C ASN A 53 -7.268 7.900 30.633 1.00 0.00 C0 ATOM 217 O ASN A 53 -8.477 7.950 30.864 1.00 0.00 O0 ATOM 218 CB ASN A 53 -6.656 6.910 32.846 1.00 0.00 C0 ATOM 219 CG ASN A 53 -6.005 5.762 33.565 1.00 0.00 C0 ATOM 220 OD1 ASN A 53 -6.045 4.617 33.098 1.00 0.00 O0 ATOM 221 ND2 ASN A 53 -5.406 6.043 34.694 1.00 0.00 N0 ATOM 0 H ASN A 53 -4.597 7.979 31.569 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.611 5.904 30.966 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.299 7.849 33.270 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.733 6.874 33.012 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -4.948 5.303 35.226 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.397 7.002 35.042 1.00 0.00 H new ATOM 228 N SER A 54 -6.665 8.697 29.759 1.00 0.00 N0 ATOM 229 CA SER A 54 -7.399 9.714 29.015 1.00 0.00 C0 ATOM 230 C SER A 54 -6.642 10.135 27.763 1.00 0.00 C0 ATOM 231 O SER A 54 -5.545 9.646 27.495 1.00 0.00 O0 ATOM 232 CB SER A 54 -7.652 10.923 29.895 1.00 0.00 C0 ATOM 233 OG SER A 54 -6.461 11.617 30.147 1.00 0.00 O0 ATOM 0 H SER A 54 -5.668 8.659 29.548 1.00 0.00 H new ATOM 0 HA SER A 54 -8.352 9.284 28.708 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.369 11.586 29.411 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.098 10.605 30.837 1.00 0.00 H new ATOM 0 HG SER A 54 -6.649 12.393 30.715 1.00 0.00 H new ATOM 239 N GLU A 55 -7.234 11.046 26.997 1.00 0.00 N0 ATOM 240 CA GLU A 55 -6.574 11.609 25.825 1.00 0.00 C0 ATOM 241 C GLU A 55 -5.284 12.323 26.210 1.00 0.00 C0 ATOM 242 O GLU A 55 -5.283 13.198 27.075 1.00 0.00 O0 ATOM 243 CB GLU A 55 -7.509 12.578 25.101 1.00 0.00 C0 ATOM 244 CG GLU A 55 -6.947 13.145 23.804 1.00 0.00 C0 ATOM 245 CD GLU A 55 -7.893 14.092 23.121 1.00 0.00 C0 ATOM 246 OE1 GLU A 55 -8.962 14.310 23.637 1.00 0.00 O0 ATOM 247 OE2 GLU A 55 -7.544 14.599 22.081 1.00 0.00 O0 ATOM 0 H GLU A 55 -8.171 11.410 27.168 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.324 10.786 25.155 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.446 12.065 24.883 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.746 13.404 25.772 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.012 13.663 24.015 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.711 12.324 23.127 1.00 0.00 H new ATOM 254 N LEU A 56 -4.189 11.944 25.561 1.00 0.00 N0 ATOM 255 CA LEU A 56 -2.877 12.487 25.892 1.00 0.00 C0 ATOM 256 C LEU A 56 -2.356 13.387 24.779 1.00 0.00 C0 ATOM 257 O LEU A 56 -2.633 13.158 23.601 1.00 0.00 O0 ATOM 258 CB LEU A 56 -1.880 11.348 26.144 1.00 0.00 C0 ATOM 259 CG LEU A 56 -2.273 10.352 27.243 1.00 0.00 C0 ATOM 260 CD1 LEU A 56 -1.212 9.265 27.348 1.00 0.00 C0 ATOM 261 CD2 LEU A 56 -2.431 11.090 28.564 1.00 0.00 C0 ATOM 0 H LEU A 56 -4.184 11.262 24.802 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.982 13.085 26.797 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.742 10.798 25.213 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.915 11.785 26.403 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.224 9.881 26.995 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.492 8.558 28.129 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.132 8.741 26.395 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.251 9.717 27.595 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.710 10.383 29.345 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.488 11.569 28.828 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.208 11.848 28.467 1.00 0.00 H new ATOM 273 N ASP A 57 -1.601 14.412 25.158 1.00 0.00 N0 ATOM 274 CA ASP A 57 -1.047 15.354 24.192 1.00 0.00 C0 ATOM 275 C ASP A 57 0.184 14.778 23.506 1.00 0.00 C0 ATOM 276 O ASP A 57 1.314 15.028 23.923 1.00 0.00 O0 ATOM 277 CB ASP A 57 -0.686 16.674 24.878 1.00 0.00 C0 ATOM 278 CG ASP A 57 -0.245 17.751 23.896 1.00 0.00 C0 ATOM 279 OD1 ASP A 57 -0.112 17.448 22.733 1.00 0.00 O0 ATOM 280 OD2 ASP A 57 -0.046 18.865 24.316 1.00 0.00 O0 ATOM 0 H ASP A 57 -1.358 14.612 26.128 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.809 15.540 23.435 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.548 17.033 25.440 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.113 16.497 25.598 1.00 0.00 H new ATOM 285 N VAL A 58 -0.043 14.006 22.448 1.00 0.00 N0 ATOM 286 CA VAL A 58 1.046 13.360 21.724 1.00 0.00 C0 ATOM 287 C VAL A 58 1.146 13.887 20.298 1.00 0.00 C0 ATOM 288 O VAL A 58 0.159 13.907 19.563 1.00 0.00 O0 ATOM 289 CB VAL A 58 0.837 11.835 21.692 1.00 0.00 C0 ATOM 290 CG1 VAL A 58 1.942 11.163 20.889 1.00 0.00 C0 ATOM 291 CG2 VAL A 58 0.793 11.288 23.110 1.00 0.00 C0 ATOM 0 H VAL A 58 -0.972 13.813 22.073 1.00 0.00 H new ATOM 0 HA VAL A 58 1.974 13.589 22.247 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.114 11.619 21.206 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.779 10.085 20.877 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.932 11.543 19.868 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.907 11.379 21.347 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.645 10.209 23.079 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.733 11.511 23.615 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.030 11.752 23.654 1.00 0.00 H new ATOM 301 N SER A 59 2.344 14.313 19.912 1.00 0.00 N0 ATOM 302 CA SER A 59 2.611 14.706 18.534 1.00 0.00 C0 ATOM 303 C SER A 59 4.068 14.461 18.163 1.00 0.00 C0 ATOM 304 O SER A 59 4.940 14.414 19.031 1.00 0.00 O0 ATOM 305 CB SER A 59 2.268 16.169 18.333 1.00 0.00 C0 ATOM 306 OG SER A 59 3.145 16.994 19.049 1.00 0.00 O0 ATOM 0 H SER A 59 3.147 14.395 20.536 1.00 0.00 H new ATOM 0 HA SER A 59 1.986 14.095 17.883 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.316 16.415 17.272 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.244 16.354 18.657 1.00 0.00 H new ATOM 0 HG SER A 59 2.905 17.933 18.902 1.00 0.00 H new ATOM 312 N VAL A 60 4.326 14.303 16.869 1.00 0.00 N0 ATOM 313 CA VAL A 60 5.672 14.023 16.385 1.00 0.00 C0 ATOM 314 C VAL A 60 6.059 14.967 15.254 1.00 0.00 C0 ATOM 315 O VAL A 60 5.365 15.053 14.239 1.00 0.00 O0 ATOM 316 CB VAL A 60 5.770 12.567 15.890 1.00 0.00 C0 ATOM 317 CG1 VAL A 60 7.175 12.267 15.391 1.00 0.00 C0 ATOM 318 CG2 VAL A 60 5.378 11.613 17.010 1.00 0.00 C0 ATOM 0 H VAL A 60 3.619 14.364 16.136 1.00 0.00 H new ATOM 0 HA VAL A 60 6.360 14.174 17.216 1.00 0.00 H new ATOM 0 HB VAL A 60 5.081 12.429 15.057 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.226 11.234 15.045 1.00 0.00 H new ATOM 0 HG12 VAL A 60 7.420 12.938 14.567 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.888 12.413 16.202 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.449 10.585 16.654 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.050 11.751 17.857 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.354 11.819 17.322 1.00 0.00 H new ATOM 328 N GLY A 61 7.168 15.675 15.434 1.00 0.00 N0 ATOM 329 CA GLY A 61 7.667 16.589 14.414 1.00 0.00 C0 ATOM 330 C GLY A 61 6.715 17.761 14.210 1.00 0.00 C0 ATOM 331 O GLY A 61 6.548 18.597 15.097 1.00 0.00 O0 ATOM 0 H GLY A 61 7.739 15.633 16.278 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.649 16.961 14.705 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.795 16.053 13.473 1.00 0.00 H new ATOM 335 N SER A 62 6.094 17.814 13.037 1.00 0.00 N0 ATOM 336 CA SER A 62 5.118 18.854 12.734 1.00 0.00 C0 ATOM 337 C SER A 62 3.724 18.267 12.553 1.00 0.00 C0 ATOM 338 O SER A 62 2.791 18.967 12.163 1.00 0.00 O0 ATOM 339 CB SER A 62 5.527 19.604 11.481 1.00 0.00 C0 ATOM 340 OG SER A 62 5.565 18.747 10.373 1.00 0.00 O0 ATOM 0 H SER A 62 6.249 17.148 12.280 1.00 0.00 H new ATOM 0 HA SER A 62 5.091 19.545 13.577 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.825 20.416 11.293 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.507 20.058 11.628 1.00 0.00 H new ATOM 0 HG SER A 62 5.829 19.253 9.577 1.00 0.00 H new ATOM 346 N THR A 63 3.590 16.976 12.839 1.00 0.00 N0 ATOM 347 CA THR A 63 2.314 16.286 12.690 1.00 0.00 C0 ATOM 348 C THR A 63 1.601 16.152 14.030 1.00 0.00 C0 ATOM 349 O THR A 63 2.122 15.538 14.961 1.00 0.00 O0 ATOM 350 CB THR A 63 2.507 14.893 12.064 1.00 0.00 C0 ATOM 351 OG1 THR A 63 3.096 15.026 10.764 1.00 0.00 O0 ATOM 352 CG2 THR A 63 1.172 14.176 11.939 1.00 0.00 C0 ATOM 0 H THR A 63 4.351 16.386 13.176 1.00 0.00 H new ATOM 0 HA THR A 63 1.697 16.888 12.024 1.00 0.00 H new ATOM 0 HB THR A 63 3.164 14.310 12.710 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.980 14.603 10.761 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.327 13.193 11.495 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.727 14.061 12.927 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.504 14.759 11.305 1.00 0.00 H new ATOM 360 N SER A 64 0.408 16.728 14.119 1.00 0.00 N0 ATOM 361 CA SER A 64 -0.357 16.718 15.361 1.00 0.00 C0 ATOM 362 C SER A 64 -1.217 15.466 15.468 1.00 0.00 C0 ATOM 363 O SER A 64 -1.354 14.711 14.504 1.00 0.00 O0 ATOM 364 CB SER A 64 -1.233 17.953 15.444 1.00 0.00 C0 ATOM 365 OG SER A 64 -2.251 17.913 14.481 1.00 0.00 O0 ATOM 0 H SER A 64 -0.051 17.208 13.345 1.00 0.00 H new ATOM 0 HA SER A 64 0.349 16.719 16.191 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.672 18.026 16.439 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.624 18.845 15.298 1.00 0.00 H new ATOM 0 HG SER A 64 -2.804 18.719 14.555 1.00 0.00 H new ATOM 371 N LEU A 65 -1.795 15.250 16.644 1.00 0.00 N0 ATOM 372 CA LEU A 65 -2.677 14.110 16.866 1.00 0.00 C0 ATOM 373 C LEU A 65 -3.607 14.356 18.048 1.00 0.00 C0 ATOM 374 O LEU A 65 -3.178 14.827 19.101 1.00 0.00 O0 ATOM 375 CB LEU A 65 -1.851 12.841 17.113 1.00 0.00 C0 ATOM 376 CG LEU A 65 -2.654 11.583 17.464 1.00 0.00 C0 ATOM 377 CD1 LEU A 65 -3.473 11.148 16.256 1.00 0.00 C0 ATOM 378 CD2 LEU A 65 -1.704 10.480 17.906 1.00 0.00 C0 ATOM 0 H LEU A 65 -1.669 15.850 17.459 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.285 13.978 15.971 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.260 12.635 16.221 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.148 13.039 17.922 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.339 11.796 18.285 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.044 10.254 16.506 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.157 11.948 15.973 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.805 10.931 15.423 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.275 9.586 18.155 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.009 10.253 17.098 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.146 10.810 18.782 1.00 0.00 H new ATOM 390 N ASN A 66 -4.884 14.033 17.867 1.00 0.00 N0 ATOM 391 CA ASN A 66 -5.873 14.195 18.925 1.00 0.00 C0 ATOM 392 C ASN A 66 -6.980 13.155 18.808 1.00 0.00 C0 ATOM 393 O ASN A 66 -6.971 12.324 17.900 1.00 0.00 O0 ATOM 394 CB ASN A 66 -6.452 15.597 18.905 1.00 0.00 C0 ATOM 395 CG ASN A 66 -7.153 15.915 17.614 1.00 0.00 C0 ATOM 396 OD1 ASN A 66 -7.815 15.052 17.024 1.00 0.00 O0 ATOM 397 ND2 ASN A 66 -7.020 17.136 17.162 1.00 0.00 N0 ATOM 0 H ASN A 66 -5.258 13.657 16.996 1.00 0.00 H new ATOM 0 HA ASN A 66 -5.370 14.042 19.880 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.153 15.708 19.732 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.652 16.319 19.067 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.472 17.409 16.289 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.464 17.815 17.682 1.00 0.00 H new ATOM 404 N ASP A 67 -7.932 13.206 19.732 1.00 0.00 N0 ATOM 405 CA ASP A 67 -9.051 12.271 19.733 1.00 0.00 C0 ATOM 406 C ASP A 67 -8.566 10.833 19.872 1.00 0.00 C0 ATOM 407 O ASP A 67 -9.018 9.944 19.151 1.00 0.00 O0 ATOM 408 CB ASP A 67 -9.872 12.416 18.450 1.00 0.00 C0 ATOM 409 CG ASP A 67 -11.265 11.812 18.567 1.00 0.00 C0 ATOM 410 OD1 ASP A 67 -11.774 11.748 19.661 1.00 0.00 O0 ATOM 411 OD2 ASP A 67 -11.808 11.422 17.560 1.00 0.00 O0 ATOM 0 H ASP A 67 -7.951 13.886 20.492 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.680 12.509 20.590 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.960 13.473 18.198 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.341 11.935 17.628 1.00 0.00 H new ATOM 416 N VAL A 68 -7.645 10.612 20.803 1.00 0.00 N0 ATOM 417 CA VAL A 68 -7.096 9.282 21.038 1.00 0.00 C0 ATOM 418 C VAL A 68 -7.634 8.685 22.333 1.00 0.00 C0 ATOM 419 O VAL A 68 -7.432 9.238 23.413 1.00 0.00 O0 ATOM 420 CB VAL A 68 -5.559 9.341 21.105 1.00 0.00 C0 ATOM 421 CG1 VAL A 68 -4.983 7.959 21.373 1.00 0.00 C0 ATOM 422 CG2 VAL A 68 -5.007 9.914 19.808 1.00 0.00 C0 ATOM 0 H VAL A 68 -7.262 11.338 21.408 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.401 8.647 20.206 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.265 9.993 21.928 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.896 8.020 21.417 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.364 7.584 22.323 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.276 7.281 20.571 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.919 9.953 19.862 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.307 9.280 18.974 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.399 10.920 19.659 1.00 0.00 H new ATOM 432 N ALA A 69 -8.321 7.554 22.216 1.00 0.00 N0 ATOM 433 CA ALA A 69 -8.916 6.896 23.374 1.00 0.00 C0 ATOM 434 C ALA A 69 -7.856 6.195 24.214 1.00 0.00 C0 ATOM 435 O ALA A 69 -6.812 5.792 23.702 1.00 0.00 O0 ATOM 436 CB ALA A 69 -9.980 5.903 22.929 1.00 0.00 C0 ATOM 0 H ALA A 69 -8.480 7.073 21.331 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.384 7.662 23.993 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.415 5.420 23.804 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.761 6.428 22.379 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.527 5.149 22.285 1.00 0.00 H new ATOM 442 N PRO A 70 -8.131 6.053 25.506 1.00 0.00 N0 ATOM 443 CA PRO A 70 -7.230 5.346 26.408 1.00 0.00 C0 ATOM 444 C PRO A 70 -6.909 3.953 25.885 1.00 0.00 C0 ATOM 445 O PRO A 70 -7.802 3.214 25.468 1.00 0.00 O0 ATOM 446 CB PRO A 70 -8.027 5.290 27.716 1.00 0.00 C0 ATOM 447 CG PRO A 70 -8.913 6.486 27.656 1.00 0.00 C0 ATOM 448 CD PRO A 70 -9.323 6.577 26.209 1.00 0.00 C0 ATOM 0 HA PRO A 70 -6.262 5.833 26.522 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.606 4.369 27.791 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.370 5.325 28.585 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.779 6.372 28.308 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.388 7.386 27.978 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.212 5.981 26.001 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.550 7.602 25.915 1.00 0.00 H new ATOM 456 N LEU A 71 -5.629 3.597 25.911 1.00 0.00 N0 ATOM 457 CA LEU A 71 -5.191 2.279 25.466 1.00 0.00 C0 ATOM 458 C LEU A 71 -5.401 2.105 23.967 1.00 0.00 C0 ATOM 459 O LEU A 71 -5.466 0.984 23.465 1.00 0.00 O0 ATOM 460 CB LEU A 71 -5.951 1.184 26.225 1.00 0.00 C0 ATOM 461 CG LEU A 71 -5.927 1.296 27.755 1.00 0.00 C0 ATOM 462 CD1 LEU A 71 -6.723 0.149 28.361 1.00 0.00 C0 ATOM 463 CD2 LEU A 71 -4.486 1.281 28.242 1.00 0.00 C0 ATOM 0 H LEU A 71 -4.876 4.204 26.236 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.125 2.193 25.676 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.990 1.193 25.895 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.535 0.217 25.943 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.385 2.234 28.068 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.706 0.229 29.448 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.754 0.196 28.010 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.280 -0.800 28.060 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.468 1.361 29.329 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.009 0.349 27.939 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.946 2.123 27.808 1.00 0.00 H new ATOM 475 N GLY A 72 -5.507 3.223 23.256 1.00 0.00 N0 ATOM 476 CA GLY A 72 -5.594 3.200 21.801 1.00 0.00 C0 ATOM 477 C GLY A 72 -4.231 3.435 21.164 1.00 0.00 C0 ATOM 478 O GLY A 72 -3.202 3.383 21.838 1.00 0.00 O0 ATOM 0 H GLY A 72 -5.535 4.157 23.665 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.991 2.239 21.473 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.293 3.965 21.464 1.00 0.00 H new ATOM 482 N SER A 73 -4.230 3.693 19.860 1.00 0.00 N0 ATOM 483 CA SER A 73 -2.990 3.904 19.123 1.00 0.00 C0 ATOM 484 C SER A 73 -3.243 4.658 17.823 1.00 0.00 C0 ATOM 485 O SER A 73 -4.372 4.711 17.335 1.00 0.00 O0 ATOM 486 CB SER A 73 -2.325 2.575 18.825 1.00 0.00 C0 ATOM 487 OG SER A 73 -3.089 1.823 17.922 1.00 0.00 O0 ATOM 0 H SER A 73 -5.075 3.761 19.292 1.00 0.00 H new ATOM 0 HA SER A 73 -2.329 4.507 19.746 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.331 2.746 18.412 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.193 2.014 19.750 1.00 0.00 H new ATOM 0 HG SER A 73 -2.639 0.971 17.744 1.00 0.00 H new ATOM 493 N SER A 74 -2.187 5.240 17.267 1.00 0.00 N0 ATOM 494 CA SER A 74 -2.285 5.955 16.000 1.00 0.00 C0 ATOM 495 C SER A 74 -0.916 6.118 15.351 1.00 0.00 C0 ATOM 496 O SER A 74 0.081 6.351 16.034 1.00 0.00 O0 ATOM 497 CB SER A 74 -2.916 7.317 16.217 1.00 0.00 C0 ATOM 498 OG SER A 74 -3.013 8.024 15.012 1.00 0.00 O0 ATOM 0 H SER A 74 -1.252 5.231 17.674 1.00 0.00 H new ATOM 0 HA SER A 74 -2.913 5.367 15.330 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.908 7.197 16.653 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.321 7.888 16.930 1.00 0.00 H new ATOM 0 HG SER A 74 -3.790 8.620 15.044 1.00 0.00 H new ATOM 504 N ASP A 75 -0.875 5.993 14.029 1.00 0.00 N0 ATOM 505 CA ASP A 75 0.384 6.031 13.295 1.00 0.00 C0 ATOM 506 C ASP A 75 0.681 7.433 12.782 1.00 0.00 C0 ATOM 507 O ASP A 75 -0.184 8.088 12.200 1.00 0.00 O0 ATOM 508 CB ASP A 75 0.350 5.048 12.121 1.00 0.00 C0 ATOM 509 CG ASP A 75 0.269 3.594 12.568 1.00 0.00 C0 ATOM 510 OD1 ASP A 75 0.541 3.329 13.715 1.00 0.00 O0 ATOM 511 OD2 ASP A 75 -0.064 2.764 11.758 1.00 0.00 O0 ATOM 0 H ASP A 75 -1.700 5.864 13.443 1.00 0.00 H new ATOM 0 HA ASP A 75 1.177 5.740 13.984 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.507 5.276 11.487 1.00 0.00 H new ATOM 0 HB3 ASP A 75 1.243 5.186 11.512 1.00 0.00 H new ATOM 516 N PHE A 76 1.910 7.890 13.000 1.00 0.00 N0 ATOM 517 CA PHE A 76 2.394 9.115 12.375 1.00 0.00 C0 ATOM 518 C PHE A 76 3.095 8.820 11.056 1.00 0.00 C0 ATOM 519 O PHE A 76 4.070 8.070 11.012 1.00 0.00 O0 ATOM 520 CB PHE A 76 3.353 9.850 13.313 1.00 0.00 C0 ATOM 521 CG PHE A 76 2.682 10.456 14.513 1.00 0.00 C0 ATOM 522 CD1 PHE A 76 2.528 9.725 15.682 1.00 0.00 C0 ATOM 523 CD2 PHE A 76 2.201 11.756 14.475 1.00 0.00 C0 ATOM 524 CE1 PHE A 76 1.910 10.281 16.786 1.00 0.00 C0 ATOM 525 CE2 PHE A 76 1.584 12.315 15.578 1.00 0.00 C0 ATOM 526 CZ PHE A 76 1.438 11.575 16.735 1.00 0.00 C0 ATOM 0 H PHE A 76 2.589 7.429 13.606 1.00 0.00 H new ATOM 0 HA PHE A 76 1.530 9.748 12.174 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.121 9.154 13.651 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.860 10.638 12.755 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.895 8.710 15.730 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.310 12.339 13.572 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.797 9.701 17.690 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.216 13.330 15.535 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.955 12.009 17.598 1.00 0.00 H new ATOM 536 N LYS A 77 2.591 9.415 9.978 1.00 0.00 N0 ATOM 537 CA LYS A 77 3.089 9.124 8.639 1.00 0.00 C0 ATOM 538 C LYS A 77 4.143 10.137 8.212 1.00 0.00 C0 ATOM 539 O LYS A 77 3.857 11.327 8.080 1.00 0.00 O0 ATOM 540 CB LYS A 77 1.938 9.105 7.633 1.00 0.00 C0 ATOM 541 CG LYS A 77 2.356 8.774 6.206 1.00 0.00 C0 ATOM 542 CD LYS A 77 1.155 8.741 5.272 1.00 0.00 C0 ATOM 543 CE LYS A 77 1.571 8.419 3.845 1.00 0.00 C0 ATOM 544 NZ LYS A 77 0.413 8.433 2.910 1.00 0.00 N0 ATOM 0 H LYS A 77 1.838 10.102 10.007 1.00 0.00 H new ATOM 0 HA LYS A 77 3.554 8.139 8.662 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.197 8.375 7.960 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.450 10.080 7.639 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.073 9.515 5.854 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.861 7.808 6.187 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.441 7.996 5.621 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.647 9.705 5.296 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.315 9.143 3.512 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.047 7.439 3.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.740 8.209 1.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.286 7.724 3.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.026 9.376 2.915 1.00 0.00 H new ATOM 558 N PHE A 78 5.363 9.658 7.996 1.00 0.00 N0 ATOM 559 CA PHE A 78 6.441 10.503 7.496 1.00 0.00 C0 ATOM 560 C PHE A 78 7.076 9.906 6.247 1.00 0.00 C0 ATOM 561 O PHE A 78 7.975 9.070 6.335 1.00 0.00 O0 ATOM 562 CB PHE A 78 7.510 10.700 8.573 1.00 0.00 C0 ATOM 563 CG PHE A 78 7.006 11.389 9.808 1.00 0.00 C0 ATOM 564 CD1 PHE A 78 6.729 10.667 10.959 1.00 0.00 C0 ATOM 565 CD2 PHE A 78 6.807 12.762 9.822 1.00 0.00 C0 ATOM 566 CE1 PHE A 78 6.264 11.300 12.097 1.00 0.00 C0 ATOM 567 CE2 PHE A 78 6.345 13.398 10.958 1.00 0.00 C0 ATOM 568 CZ PHE A 78 6.073 12.666 12.096 1.00 0.00 C0 ATOM 0 H PHE A 78 5.630 8.687 8.160 1.00 0.00 H new ATOM 0 HA PHE A 78 6.009 11.470 7.236 1.00 0.00 H new ATOM 0 HB2 PHE A 78 7.916 9.727 8.851 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.332 11.281 8.154 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.878 9.597 10.967 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.016 13.340 8.934 1.00 0.00 H new ATOM 0 HE1 PHE A 78 6.051 10.725 12.986 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.197 14.468 10.956 1.00 0.00 H new ATOM 0 HZ PHE A 78 5.711 13.162 12.984 1.00 0.00 H new ATOM 578 N LEU A 79 6.602 10.338 5.084 1.00 0.00 N0 ATOM 579 CA LEU A 79 7.165 9.896 3.814 1.00 0.00 C0 ATOM 580 C LEU A 79 8.656 10.197 3.738 1.00 0.00 C0 ATOM 581 O LEU A 79 9.460 9.326 3.407 1.00 0.00 O0 ATOM 582 CB LEU A 79 6.440 10.575 2.646 1.00 0.00 C0 ATOM 583 CG LEU A 79 7.028 10.313 1.254 1.00 0.00 C0 ATOM 584 CD1 LEU A 79 6.984 8.820 0.958 1.00 0.00 C0 ATOM 585 CD2 LEU A 79 6.244 11.100 0.215 1.00 0.00 C0 ATOM 0 H LEU A 79 5.827 10.995 4.995 1.00 0.00 H new ATOM 0 HA LEU A 79 7.028 8.817 3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.400 10.247 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.436 11.651 2.822 1.00 0.00 H new ATOM 0 HG LEU A 79 8.067 10.640 1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.402 8.633 -0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.568 8.283 1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.951 8.474 0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.662 10.914 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.200 10.787 0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.307 12.164 0.441 1.00 0.00 H new ATOM 597 N PRO A 80 9.020 11.437 4.048 1.00 0.00 N0 ATOM 598 CA PRO A 80 10.423 11.828 4.121 1.00 0.00 C0 ATOM 599 C PRO A 80 11.044 11.403 5.445 1.00 0.00 C0 ATOM 600 O PRO A 80 10.544 11.747 6.515 1.00 0.00 O0 ATOM 601 CB PRO A 80 10.363 13.353 3.990 1.00 0.00 C0 ATOM 602 CG PRO A 80 9.121 13.735 4.721 1.00 0.00 C0 ATOM 603 CD PRO A 80 8.140 12.641 4.391 1.00 0.00 C0 ATOM 0 HA PRO A 80 11.042 11.360 3.355 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.243 13.825 4.427 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.321 13.662 2.945 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.296 13.801 5.795 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.753 14.709 4.398 1.00 0.00 H new ATOM 0 HD2 PRO A 80 7.484 12.427 5.235 1.00 0.00 H new ATOM 0 HD3 PRO A 80 7.501 12.919 3.553 1.00 0.00 H new ATOM 611 N PRO A 81 12.137 10.651 5.364 1.00 0.00 N0 ATOM 612 CA PRO A 81 12.850 10.206 6.556 1.00 0.00 C0 ATOM 613 C PRO A 81 13.654 11.341 7.175 1.00 0.00 C0 ATOM 614 O PRO A 81 13.878 12.373 6.540 1.00 0.00 O0 ATOM 615 CB PRO A 81 13.759 9.096 6.019 1.00 0.00 C0 ATOM 616 CG PRO A 81 14.055 9.512 4.619 1.00 0.00 C0 ATOM 617 CD PRO A 81 12.766 10.117 4.128 1.00 0.00 C0 ATOM 0 HA PRO A 81 12.188 9.865 7.352 1.00 0.00 H new ATOM 0 HB2 PRO A 81 14.671 9.007 6.609 1.00 0.00 H new ATOM 0 HB3 PRO A 81 13.264 8.126 6.050 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.872 10.233 4.583 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.354 8.661 4.006 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.946 10.905 3.397 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.132 9.373 3.645 1.00 0.00 H new ATOM 625 N GLY A 82 14.087 11.146 8.416 1.00 0.00 N0 ATOM 626 CA GLY A 82 14.862 12.158 9.125 1.00 0.00 C0 ATOM 627 C GLY A 82 14.498 12.194 10.603 1.00 0.00 C0 ATOM 628 O GLY A 82 13.751 11.344 11.090 1.00 0.00 O0 ATOM 0 H GLY A 82 13.914 10.296 8.952 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.926 11.949 9.015 1.00 0.00 H new ATOM 0 HA3 GLY A 82 14.682 13.136 8.679 1.00 0.00 H new ATOM 632 N SER A 83 15.029 13.183 11.314 1.00 0.00 N0 ATOM 633 CA SER A 83 14.813 13.295 12.752 1.00 0.00 C0 ATOM 634 C SER A 83 13.523 14.045 13.057 1.00 0.00 C0 ATOM 635 O SER A 83 13.299 15.145 12.551 1.00 0.00 O0 ATOM 636 CB SER A 83 15.986 14.002 13.402 1.00 0.00 C0 ATOM 637 OG SER A 83 15.738 14.236 14.762 1.00 0.00 O0 ATOM 0 H SER A 83 15.613 13.919 10.917 1.00 0.00 H new ATOM 0 HA SER A 83 14.728 12.288 13.160 1.00 0.00 H new ATOM 0 HB2 SER A 83 16.887 13.398 13.291 1.00 0.00 H new ATOM 0 HB3 SER A 83 16.172 14.948 12.894 1.00 0.00 H new ATOM 0 HG SER A 83 16.508 14.691 15.161 1.00 0.00 H new ATOM 643 N TYR A 84 12.677 13.445 13.887 1.00 0.00 N0 ATOM 644 CA TYR A 84 11.460 14.102 14.348 1.00 0.00 C0 ATOM 645 C TYR A 84 11.322 14.008 15.862 1.00 0.00 C0 ATOM 646 O TYR A 84 11.726 13.017 16.472 1.00 0.00 O0 ATOM 647 CB TYR A 84 10.232 13.493 13.666 1.00 0.00 C0 ATOM 648 CG TYR A 84 10.246 13.620 12.159 1.00 0.00 C0 ATOM 649 CD1 TYR A 84 10.793 12.608 11.383 1.00 0.00 C0 ATOM 650 CD2 TYR A 84 9.713 14.747 11.552 1.00 0.00 C0 ATOM 651 CE1 TYR A 84 10.806 12.724 10.006 1.00 0.00 C0 ATOM 652 CE2 TYR A 84 9.726 14.863 10.176 1.00 0.00 C0 ATOM 653 CZ TYR A 84 10.269 13.856 9.405 1.00 0.00 C0 ATOM 654 OH TYR A 84 10.282 13.972 8.033 1.00 0.00 O0 ATOM 0 H TYR A 84 12.812 12.503 14.255 1.00 0.00 H new ATOM 0 HA TYR A 84 11.527 15.156 14.079 1.00 0.00 H new ATOM 0 HB2 TYR A 84 10.166 12.438 13.932 1.00 0.00 H new ATOM 0 HB3 TYR A 84 9.335 13.976 14.054 1.00 0.00 H new ATOM 0 HD1 TYR A 84 11.208 11.730 11.855 1.00 0.00 H new ATOM 0 HD2 TYR A 84 9.287 15.535 12.156 1.00 0.00 H new ATOM 0 HE1 TYR A 84 11.232 11.938 9.400 1.00 0.00 H new ATOM 0 HE2 TYR A 84 9.311 15.741 9.704 1.00 0.00 H new ATOM 0 HH TYR A 84 10.223 13.081 7.629 1.00 0.00 H new ATOM 664 N THR A 85 10.751 15.045 16.465 1.00 0.00 N0 ATOM 665 CA THR A 85 10.634 15.119 17.917 1.00 0.00 C0 ATOM 666 C THR A 85 9.266 14.635 18.384 1.00 0.00 C0 ATOM 667 O THR A 85 8.242 15.243 18.071 1.00 0.00 O0 ATOM 668 CB THR A 85 10.874 16.554 18.421 1.00 0.00 C0 ATOM 669 OG1 THR A 85 12.196 16.975 18.057 1.00 0.00 O0 ATOM 670 CG2 THR A 85 10.723 16.621 19.932 1.00 0.00 C0 ATOM 0 H THR A 85 10.361 15.847 15.970 1.00 0.00 H new ATOM 0 HA THR A 85 11.400 14.466 18.336 1.00 0.00 H new ATOM 0 HB THR A 85 10.136 17.212 17.963 1.00 0.00 H new ATOM 0 HG1 THR A 85 12.348 17.889 18.376 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.896 17.643 20.270 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.716 16.312 20.211 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.449 15.956 20.400 1.00 0.00 H new ATOM 678 N ALA A 86 9.258 13.539 19.134 1.00 0.00 N0 ATOM 679 CA ALA A 86 8.021 12.998 19.685 1.00 0.00 C0 ATOM 680 C ALA A 86 7.637 13.706 20.977 1.00 0.00 C0 ATOM 681 O ALA A 86 8.095 13.336 22.058 1.00 0.00 O0 ATOM 682 CB ALA A 86 8.157 11.500 19.922 1.00 0.00 C0 ATOM 0 H ALA A 86 10.095 13.007 19.375 1.00 0.00 H new ATOM 0 HA ALA A 86 7.226 13.169 18.959 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.226 11.111 20.333 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.373 11.000 18.978 1.00 0.00 H new ATOM 0 HB3 ALA A 86 8.969 11.315 20.625 1.00 0.00 H new ATOM 688 N GLN A 87 6.793 14.725 20.859 1.00 0.00 N0 ATOM 689 CA GLN A 87 6.317 15.465 22.023 1.00 0.00 C0 ATOM 690 C GLN A 87 5.210 14.706 22.742 1.00 0.00 C0 ATOM 691 O GLN A 87 4.163 14.417 22.162 1.00 0.00 O0 ATOM 692 CB GLN A 87 5.817 16.852 21.609 1.00 0.00 C0 ATOM 693 CG GLN A 87 5.319 17.703 22.763 1.00 0.00 C0 ATOM 694 CD GLN A 87 6.441 18.139 23.687 1.00 0.00 C0 ATOM 695 OE1 GLN A 87 7.509 18.561 23.233 1.00 0.00 O0 ATOM 696 NE2 GLN A 87 6.205 18.041 24.990 1.00 0.00 N0 ATOM 0 H GLN A 87 6.424 15.058 19.968 1.00 0.00 H new ATOM 0 HA GLN A 87 7.155 15.580 22.710 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.625 17.381 21.104 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.011 16.734 20.885 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.813 18.585 22.369 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.580 17.140 23.334 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.307 17.687 25.320 1.00 0.00 H new ATOM 0 HE22 GLN A 87 6.921 18.320 25.660 1.00 0.00 H new ATOM 705 N VAL A 88 5.446 14.385 24.010 1.00 0.00 N0 ATOM 706 CA VAL A 88 4.472 13.651 24.808 1.00 0.00 C0 ATOM 707 C VAL A 88 4.255 14.319 26.161 1.00 0.00 C0 ATOM 708 O VAL A 88 5.058 14.155 27.080 1.00 0.00 O0 ATOM 709 CB VAL A 88 4.940 12.200 25.025 1.00 0.00 C0 ATOM 710 CG1 VAL A 88 3.942 11.440 25.886 1.00 0.00 C0 ATOM 711 CG2 VAL A 88 5.128 11.512 23.681 1.00 0.00 C0 ATOM 0 H VAL A 88 6.305 14.622 24.507 1.00 0.00 H new ATOM 0 HA VAL A 88 3.529 13.651 24.261 1.00 0.00 H new ATOM 0 HB VAL A 88 5.896 12.211 25.549 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.289 10.417 26.029 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.850 11.930 26.855 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.970 11.428 25.392 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.459 10.486 23.841 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.182 11.508 23.139 1.00 0.00 H new ATOM 0 HG23 VAL A 88 5.877 12.049 23.099 1.00 0.00 H new ATOM 721 N GLY A 89 3.165 15.070 26.277 1.00 0.00 N0 ATOM 722 CA GLY A 89 2.866 15.802 27.502 1.00 0.00 C0 ATOM 723 C GLY A 89 3.894 16.897 27.754 1.00 0.00 C0 ATOM 724 O GLY A 89 4.053 17.810 26.944 1.00 0.00 O0 ATOM 0 H GLY A 89 2.473 15.188 25.537 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.871 16.242 27.432 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.851 15.113 28.346 1.00 0.00 H new ATOM 728 N GLN A 90 4.590 16.801 28.881 1.00 0.00 N0 ATOM 729 CA GLN A 90 5.628 17.766 29.226 1.00 0.00 C0 ATOM 730 C GLN A 90 7.006 17.258 28.826 1.00 0.00 C0 ATOM 731 O GLN A 90 8.007 17.955 28.994 1.00 0.00 O0 ATOM 732 CB GLN A 90 5.597 18.072 30.727 1.00 0.00 C0 ATOM 733 CG GLN A 90 4.295 18.688 31.210 1.00 0.00 C0 ATOM 734 CD GLN A 90 4.003 20.019 30.545 1.00 0.00 C0 ATOM 735 OE1 GLN A 90 4.850 20.918 30.524 1.00 0.00 O0 ATOM 736 NE2 GLN A 90 2.801 20.156 29.998 1.00 0.00 N0 ATOM 0 H GLN A 90 4.454 16.064 29.573 1.00 0.00 H new ATOM 0 HA GLN A 90 5.428 18.683 28.672 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.776 17.149 31.278 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.417 18.750 30.965 1.00 0.00 H new ATOM 0 HG2 GLN A 90 3.475 17.998 31.012 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.341 18.827 32.290 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.132 19.387 30.038 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.547 21.030 29.537 1.00 0.00 H new ATOM 745 N GLN A 91 7.053 16.040 28.297 1.00 0.00 N0 ATOM 746 CA GLN A 91 8.311 15.433 27.883 1.00 0.00 C0 ATOM 747 C GLN A 91 8.398 15.324 26.366 1.00 0.00 C0 ATOM 748 O GLN A 91 7.414 15.551 25.661 1.00 0.00 O0 ATOM 749 CB GLN A 91 8.472 14.047 28.516 1.00 0.00 C0 ATOM 750 CG GLN A 91 8.423 14.048 30.034 1.00 0.00 C0 ATOM 751 CD GLN A 91 9.540 14.869 30.649 1.00 0.00 C0 ATOM 752 OE1 GLN A 91 10.707 14.736 30.271 1.00 0.00 O0 ATOM 753 NE2 GLN A 91 9.187 15.725 31.603 1.00 0.00 N0 ATOM 0 H GLN A 91 6.232 15.454 28.145 1.00 0.00 H new ATOM 0 HA GLN A 91 9.120 16.078 28.227 1.00 0.00 H new ATOM 0 HB2 GLN A 91 7.685 13.394 28.138 1.00 0.00 H new ATOM 0 HB3 GLN A 91 9.422 13.621 28.194 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.462 14.443 30.363 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.487 13.022 30.397 1.00 0.00 H new ATOM 0 HE21 GLN A 91 8.209 15.801 31.883 1.00 0.00 H new ATOM 0 HE22 GLN A 91 9.894 16.305 32.054 1.00 0.00 H new ATOM 762 N SER A 92 9.580 14.976 25.869 1.00 0.00 N0 ATOM 763 CA SER A 92 9.784 14.788 24.437 1.00 0.00 C0 ATOM 764 C SER A 92 10.902 13.788 24.166 1.00 0.00 C0 ATOM 765 O SER A 92 11.800 13.610 24.989 1.00 0.00 O0 ATOM 766 CB SER A 92 10.109 16.114 23.779 1.00 0.00 C0 ATOM 767 OG SER A 92 11.349 16.601 24.213 1.00 0.00 O0 ATOM 0 H SER A 92 10.412 14.818 26.437 1.00 0.00 H new ATOM 0 HA SER A 92 8.861 14.391 24.015 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.121 15.993 22.696 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.329 16.839 24.010 1.00 0.00 H new ATOM 0 HG SER A 92 11.537 17.456 23.773 1.00 0.00 H new ATOM 773 N LEU A 93 10.840 13.139 23.010 1.00 0.00 N0 ATOM 774 CA LEU A 93 11.859 12.172 22.619 1.00 0.00 C0 ATOM 775 C LEU A 93 12.121 12.225 21.119 1.00 0.00 C0 ATOM 776 O LEU A 93 11.294 11.786 20.318 1.00 0.00 O0 ATOM 777 CB LEU A 93 11.426 10.757 23.019 1.00 0.00 C0 ATOM 778 CG LEU A 93 12.399 9.632 22.639 1.00 0.00 C0 ATOM 779 CD1 LEU A 93 13.727 9.847 23.351 1.00 0.00 C0 ATOM 780 CD2 LEU A 93 11.791 8.288 23.011 1.00 0.00 C0 ATOM 0 H LEU A 93 10.094 13.265 22.326 1.00 0.00 H new ATOM 0 HA LEU A 93 12.782 12.429 23.138 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.276 10.734 24.098 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.460 10.548 22.559 1.00 0.00 H new ATOM 0 HG LEU A 93 12.579 9.643 21.564 1.00 0.00 H new ATOM 0 HD11 LEU A 93 14.418 9.048 23.081 1.00 0.00 H new ATOM 0 HD12 LEU A 93 14.148 10.807 23.053 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.567 9.840 24.429 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.482 7.489 22.741 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.603 8.258 24.084 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.852 8.152 22.474 1.00 0.00 H new ATOM 792 N PRO A 94 13.276 12.765 20.743 1.00 0.00 N0 ATOM 793 CA PRO A 94 13.664 12.846 19.341 1.00 0.00 C0 ATOM 794 C PRO A 94 14.084 11.483 18.806 1.00 0.00 C0 ATOM 795 O PRO A 94 14.692 10.686 19.520 1.00 0.00 O0 ATOM 796 CB PRO A 94 14.837 13.830 19.364 1.00 0.00 C0 ATOM 797 CG PRO A 94 15.456 13.630 20.705 1.00 0.00 C0 ATOM 798 CD PRO A 94 14.288 13.395 21.626 1.00 0.00 C0 ATOM 0 HA PRO A 94 12.854 13.168 18.687 1.00 0.00 H new ATOM 0 HB2 PRO A 94 15.547 13.623 18.563 1.00 0.00 H new ATOM 0 HB3 PRO A 94 14.498 14.857 19.231 1.00 0.00 H new ATOM 0 HG2 PRO A 94 16.139 12.780 20.705 1.00 0.00 H new ATOM 0 HG3 PRO A 94 16.033 14.503 21.010 1.00 0.00 H new ATOM 0 HD2 PRO A 94 14.557 12.744 22.458 1.00 0.00 H new ATOM 0 HD3 PRO A 94 13.922 14.327 22.056 1.00 0.00 H new ATOM 806 N VAL A 95 13.758 11.222 17.545 1.00 0.00 N0 ATOM 807 CA VAL A 95 14.107 9.957 16.909 1.00 0.00 C0 ATOM 808 C VAL A 95 14.332 10.136 15.413 1.00 0.00 C0 ATOM 809 O VAL A 95 13.557 10.809 14.735 1.00 0.00 O0 ATOM 810 CB VAL A 95 12.993 8.919 17.137 1.00 0.00 C0 ATOM 811 CG1 VAL A 95 11.678 9.413 16.553 1.00 0.00 C0 ATOM 812 CG2 VAL A 95 13.391 7.587 16.518 1.00 0.00 C0 ATOM 0 H VAL A 95 13.252 11.871 16.942 1.00 0.00 H new ATOM 0 HA VAL A 95 15.034 9.604 17.361 1.00 0.00 H new ATOM 0 HB VAL A 95 12.855 8.778 18.209 1.00 0.00 H new ATOM 0 HG11 VAL A 95 10.901 8.667 16.723 1.00 0.00 H new ATOM 0 HG12 VAL A 95 11.394 10.349 17.035 1.00 0.00 H new ATOM 0 HG13 VAL A 95 11.795 9.578 15.482 1.00 0.00 H new ATOM 0 HG21 VAL A 95 12.598 6.858 16.683 1.00 0.00 H new ATOM 0 HG22 VAL A 95 13.548 7.716 15.447 1.00 0.00 H new ATOM 0 HG23 VAL A 95 14.312 7.232 16.980 1.00 0.00 H new ATOM 822 N LYS A 96 15.399 9.529 14.904 1.00 0.00 N0 ATOM 823 CA LYS A 96 15.649 9.495 13.468 1.00 0.00 C0 ATOM 824 C LYS A 96 14.918 8.333 12.808 1.00 0.00 C0 ATOM 825 O LYS A 96 15.112 7.175 13.178 1.00 0.00 O0 ATOM 826 CB LYS A 96 17.149 9.400 13.188 1.00 0.00 C0 ATOM 827 CG LYS A 96 17.519 9.463 11.711 1.00 0.00 C0 ATOM 828 CD LYS A 96 19.027 9.420 11.517 1.00 0.00 C0 ATOM 829 CE LYS A 96 19.398 9.473 10.042 1.00 0.00 C0 ATOM 830 NZ LYS A 96 20.871 9.421 9.837 1.00 0.00 N0 ATOM 0 H LYS A 96 16.105 9.053 15.466 1.00 0.00 H new ATOM 0 HA LYS A 96 15.267 10.423 13.042 1.00 0.00 H new ATOM 0 HB2 LYS A 96 17.656 10.210 13.712 1.00 0.00 H new ATOM 0 HB3 LYS A 96 17.526 8.466 13.605 1.00 0.00 H new ATOM 0 HG2 LYS A 96 17.058 8.628 11.183 1.00 0.00 H new ATOM 0 HG3 LYS A 96 17.120 10.378 11.272 1.00 0.00 H new ATOM 0 HD2 LYS A 96 19.487 10.259 12.040 1.00 0.00 H new ATOM 0 HD3 LYS A 96 19.427 8.509 11.962 1.00 0.00 H new ATOM 0 HE2 LYS A 96 18.929 8.639 9.520 1.00 0.00 H new ATOM 0 HE3 LYS A 96 19.002 10.388 9.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 21.081 9.459 8.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 21.317 10.231 10.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 21.246 8.536 10.235 1.00 0.00 H new ATOM 844 N LEU A 97 14.077 8.650 11.830 1.00 0.00 N0 ATOM 845 CA LEU A 97 13.262 7.641 11.163 1.00 0.00 C0 ATOM 846 C LEU A 97 13.942 7.128 9.901 1.00 0.00 C0 ATOM 847 O LEU A 97 14.110 7.867 8.931 1.00 0.00 O0 ATOM 848 CB LEU A 97 11.885 8.219 10.811 1.00 0.00 C0 ATOM 849 CG LEU A 97 11.129 8.887 11.967 1.00 0.00 C0 ATOM 850 CD1 LEU A 97 9.759 9.341 11.483 1.00 0.00 C0 ATOM 851 CD2 LEU A 97 11.002 7.907 13.124 1.00 0.00 C0 ATOM 0 H LEU A 97 13.942 9.599 11.481 1.00 0.00 H new ATOM 0 HA LEU A 97 13.139 6.804 11.850 1.00 0.00 H new ATOM 0 HB2 LEU A 97 12.012 8.951 10.013 1.00 0.00 H new ATOM 0 HB3 LEU A 97 11.265 7.416 10.412 1.00 0.00 H new ATOM 0 HG LEU A 97 11.678 9.762 12.315 1.00 0.00 H new ATOM 0 HD11 LEU A 97 9.222 9.816 12.304 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.879 10.054 10.668 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.194 8.479 11.130 1.00 0.00 H new ATOM 0 HD21 LEU A 97 10.465 8.381 13.945 1.00 0.00 H new ATOM 0 HD22 LEU A 97 10.454 7.024 12.794 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.996 7.613 13.462 1.00 0.00 H new ATOM 863 N ASP A 98 14.331 5.857 9.920 1.00 0.00 N0 ATOM 864 CA ASP A 98 14.962 5.232 8.764 1.00 0.00 C0 ATOM 865 C ASP A 98 13.956 5.004 7.643 1.00 0.00 C0 ATOM 866 O ASP A 98 12.778 4.750 7.896 1.00 0.00 O0 ATOM 867 CB ASP A 98 15.607 3.901 9.158 1.00 0.00 C0 ATOM 868 CG ASP A 98 16.860 4.078 10.005 1.00 0.00 C0 ATOM 869 OD1 ASP A 98 17.372 5.171 10.053 1.00 0.00 O0 ATOM 870 OD2 ASP A 98 17.294 3.117 10.595 1.00 0.00 O0 ATOM 0 H ASP A 98 14.220 5.240 10.724 1.00 0.00 H new ATOM 0 HA ASP A 98 15.734 5.911 8.402 1.00 0.00 H new ATOM 0 HB2 ASP A 98 14.883 3.301 9.710 1.00 0.00 H new ATOM 0 HB3 ASP A 98 15.860 3.344 8.256 1.00 0.00 H new ATOM 875 N PRO A 99 14.427 5.094 6.403 1.00 0.00 N0 ATOM 876 CA PRO A 99 13.576 4.863 5.243 1.00 0.00 C0 ATOM 877 C PRO A 99 12.875 3.514 5.334 1.00 0.00 C0 ATOM 878 O PRO A 99 13.511 2.487 5.566 1.00 0.00 O0 ATOM 879 CB PRO A 99 14.569 4.906 4.076 1.00 0.00 C0 ATOM 880 CG PRO A 99 15.657 5.805 4.553 1.00 0.00 C0 ATOM 881 CD PRO A 99 15.807 5.468 6.013 1.00 0.00 C0 ATOM 0 HA PRO A 99 12.772 5.592 5.144 1.00 0.00 H new ATOM 0 HB2 PRO A 99 14.949 3.912 3.840 1.00 0.00 H new ATOM 0 HB3 PRO A 99 14.102 5.292 3.170 1.00 0.00 H new ATOM 0 HG2 PRO A 99 16.584 5.631 4.008 1.00 0.00 H new ATOM 0 HG3 PRO A 99 15.396 6.854 4.412 1.00 0.00 H new ATOM 0 HD2 PRO A 99 16.508 4.649 6.170 1.00 0.00 H new ATOM 0 HD3 PRO A 99 16.175 6.317 6.589 1.00 0.00 H new ATOM 889 N ASP A 100 11.559 3.524 5.150 1.00 0.00 N0 ATOM 890 CA ASP A 100 10.776 2.294 5.148 1.00 0.00 C0 ATOM 891 C ASP A 100 10.990 1.502 6.431 1.00 0.00 C0 ATOM 892 O ASP A 100 11.493 0.380 6.403 1.00 0.00 O0 ATOM 893 CB ASP A 100 11.142 1.427 3.939 1.00 0.00 C0 ATOM 894 CG ASP A 100 10.120 0.333 3.665 1.00 0.00 C0 ATOM 895 OD1 ASP A 100 9.004 0.464 4.108 1.00 0.00 O0 ATOM 896 OD2 ASP A 100 10.466 -0.625 3.015 1.00 0.00 O0 ATOM 0 H ASP A 100 11.012 4.372 5.000 1.00 0.00 H new ATOM 0 HA ASP A 100 9.724 2.572 5.085 1.00 0.00 H new ATOM 0 HB2 ASP A 100 11.233 2.061 3.057 1.00 0.00 H new ATOM 0 HB3 ASP A 100 12.118 0.972 4.107 1.00 0.00 H new ATOM 901 N SER A 101 10.604 2.094 7.556 1.00 0.00 N0 ATOM 902 CA SER A 101 10.724 1.433 8.850 1.00 0.00 C0 ATOM 903 C SER A 101 9.575 1.816 9.773 1.00 0.00 C0 ATOM 904 O SER A 101 8.847 2.774 9.511 1.00 0.00 O0 ATOM 905 CB SER A 101 12.047 1.794 9.499 1.00 0.00 C0 ATOM 906 OG SER A 101 12.074 3.146 9.866 1.00 0.00 O0 ATOM 0 H SER A 101 10.205 3.032 7.598 1.00 0.00 H new ATOM 0 HA SER A 101 10.684 0.357 8.683 1.00 0.00 H new ATOM 0 HB2 SER A 101 12.206 1.171 10.379 1.00 0.00 H new ATOM 0 HB3 SER A 101 12.864 1.585 8.809 1.00 0.00 H new ATOM 0 HG SER A 101 12.040 3.704 9.061 1.00 0.00 H new ATOM 912 N TYR A 102 9.414 1.060 10.855 1.00 0.00 N0 ATOM 913 CA TYR A 102 8.354 1.320 11.820 1.00 0.00 C0 ATOM 914 C TYR A 102 8.921 1.544 13.216 1.00 0.00 C0 ATOM 915 O TYR A 102 9.940 0.960 13.584 1.00 0.00 O0 ATOM 916 CB TYR A 102 7.350 0.165 11.836 1.00 0.00 C0 ATOM 917 CG TYR A 102 6.608 -0.017 10.530 1.00 0.00 C0 ATOM 918 CD1 TYR A 102 7.170 -0.776 9.513 1.00 0.00 C0 ATOM 919 CD2 TYR A 102 5.367 0.574 10.349 1.00 0.00 C0 ATOM 920 CE1 TYR A 102 6.493 -0.942 8.320 1.00 0.00 C0 ATOM 921 CE2 TYR A 102 4.690 0.408 9.156 1.00 0.00 C0 ATOM 922 CZ TYR A 102 5.248 -0.347 8.145 1.00 0.00 C0 ATOM 923 OH TYR A 102 4.574 -0.512 6.957 1.00 0.00 O0 ATOM 0 H TYR A 102 10.006 0.262 11.085 1.00 0.00 H new ATOM 0 HA TYR A 102 7.840 2.231 11.514 1.00 0.00 H new ATOM 0 HB2 TYR A 102 7.877 -0.759 12.076 1.00 0.00 H new ATOM 0 HB3 TYR A 102 6.627 0.336 12.633 1.00 0.00 H new ATOM 0 HD1 TYR A 102 8.136 -1.237 9.654 1.00 0.00 H new ATOM 0 HD2 TYR A 102 4.929 1.164 11.141 1.00 0.00 H new ATOM 0 HE1 TYR A 102 6.929 -1.531 7.527 1.00 0.00 H new ATOM 0 HE2 TYR A 102 3.724 0.869 9.015 1.00 0.00 H new ATOM 0 HH TYR A 102 3.719 -0.034 6.997 1.00 0.00 H new ATOM 933 N TYR A 103 8.257 2.396 13.989 1.00 0.00 N0 ATOM 934 CA TYR A 103 8.647 2.640 15.373 1.00 0.00 C0 ATOM 935 C TYR A 103 7.447 2.560 16.307 1.00 0.00 C0 ATOM 936 O TYR A 103 6.338 2.954 15.945 1.00 0.00 O0 ATOM 937 CB TYR A 103 9.330 4.003 15.503 1.00 0.00 C0 ATOM 938 CG TYR A 103 10.607 4.126 14.700 1.00 0.00 C0 ATOM 939 CD1 TYR A 103 10.548 4.438 13.349 1.00 0.00 C0 ATOM 940 CD2 TYR A 103 11.834 3.926 15.312 1.00 0.00 C0 ATOM 941 CE1 TYR A 103 11.713 4.551 12.615 1.00 0.00 C0 ATOM 942 CE2 TYR A 103 12.999 4.038 14.579 1.00 0.00 C0 ATOM 943 CZ TYR A 103 12.941 4.349 13.236 1.00 0.00 C0 ATOM 944 OH TYR A 103 14.101 4.461 12.505 1.00 0.00 O0 ATOM 0 H TYR A 103 7.445 2.930 13.680 1.00 0.00 H new ATOM 0 HA TYR A 103 9.353 1.862 15.664 1.00 0.00 H new ATOM 0 HB2 TYR A 103 8.635 4.779 15.183 1.00 0.00 H new ATOM 0 HB3 TYR A 103 9.553 4.188 16.554 1.00 0.00 H new ATOM 0 HD1 TYR A 103 9.592 4.592 12.872 1.00 0.00 H new ATOM 0 HD2 TYR A 103 11.879 3.682 16.363 1.00 0.00 H new ATOM 0 HE1 TYR A 103 11.670 4.795 11.564 1.00 0.00 H new ATOM 0 HE2 TYR A 103 13.955 3.882 15.057 1.00 0.00 H new ATOM 0 HH TYR A 103 14.507 5.338 12.667 1.00 0.00 H new ATOM 954 N THR A 104 7.674 2.045 17.511 1.00 0.00 N0 ATOM 955 CA THR A 104 6.630 1.985 18.527 1.00 0.00 C0 ATOM 956 C THR A 104 6.857 3.031 19.611 1.00 0.00 C0 ATOM 957 O THR A 104 7.883 3.021 20.291 1.00 0.00 O0 ATOM 958 CB THR A 104 6.558 0.586 19.166 1.00 0.00 C0 ATOM 959 OG1 THR A 104 6.214 -0.381 18.165 1.00 0.00 O0 ATOM 960 CG2 THR A 104 5.514 0.557 20.272 1.00 0.00 C0 ATOM 0 H THR A 104 8.572 1.663 17.807 1.00 0.00 H new ATOM 0 HA THR A 104 5.683 2.194 18.030 1.00 0.00 H new ATOM 0 HB THR A 104 7.532 0.348 19.594 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.904 -1.076 18.131 1.00 0.00 H new ATOM 0 HG21 THR A 104 5.477 -0.440 20.712 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.778 1.283 21.041 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.537 0.807 19.857 1.00 0.00 H new ATOM 968 N LEU A 105 5.893 3.932 19.768 1.00 0.00 N0 ATOM 969 CA LEU A 105 6.003 5.009 20.744 1.00 0.00 C0 ATOM 970 C LEU A 105 4.985 4.844 21.865 1.00 0.00 C0 ATOM 971 O LEU A 105 3.778 4.830 21.622 1.00 0.00 O0 ATOM 972 CB LEU A 105 5.802 6.368 20.060 1.00 0.00 C0 ATOM 973 CG LEU A 105 5.822 7.589 20.987 1.00 0.00 C0 ATOM 974 CD1 LEU A 105 7.212 7.750 21.587 1.00 0.00 C0 ATOM 975 CD2 LEU A 105 5.418 8.829 20.202 1.00 0.00 C0 ATOM 0 H LEU A 105 5.026 3.937 19.231 1.00 0.00 H new ATOM 0 HA LEU A 105 7.002 4.965 21.177 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.580 6.494 19.307 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.848 6.351 19.533 1.00 0.00 H new ATOM 0 HG LEU A 105 5.111 7.450 21.801 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.226 8.618 22.246 1.00 0.00 H new ATOM 0 HD12 LEU A 105 7.468 6.857 22.158 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.939 7.890 20.787 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.432 9.697 20.861 1.00 0.00 H new ATOM 0 HD22 LEU A 105 6.119 8.985 19.382 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.414 8.694 19.801 1.00 0.00 H new ATOM 987 N VAL A 106 5.478 4.719 23.092 1.00 0.00 N0 ATOM 988 CA VAL A 106 4.613 4.512 24.248 1.00 0.00 C0 ATOM 989 C VAL A 106 4.461 5.793 25.057 1.00 0.00 C0 ATOM 990 O VAL A 106 5.422 6.281 25.652 1.00 0.00 O0 ATOM 991 CB VAL A 106 5.184 3.402 25.150 1.00 0.00 C0 ATOM 992 CG1 VAL A 106 4.299 3.200 26.371 1.00 0.00 C0 ATOM 993 CG2 VAL A 106 5.318 2.109 24.361 1.00 0.00 C0 ATOM 0 H VAL A 106 6.473 4.757 23.312 1.00 0.00 H new ATOM 0 HA VAL A 106 3.631 4.214 23.879 1.00 0.00 H new ATOM 0 HB VAL A 106 6.173 3.702 25.496 1.00 0.00 H new ATOM 0 HG11 VAL A 106 4.717 2.412 26.997 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.248 4.128 26.941 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.297 2.915 26.051 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.723 1.329 25.006 1.00 0.00 H new ATOM 0 HG22 VAL A 106 4.338 1.804 23.993 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.989 2.266 23.517 1.00 0.00 H new ATOM 1003 N SER A 107 3.247 6.334 25.077 1.00 0.00 N0 ATOM 1004 CA SER A 107 2.958 7.540 25.844 1.00 0.00 C0 ATOM 1005 C SER A 107 2.474 7.199 27.247 1.00 0.00 C0 ATOM 1006 O SER A 107 1.298 6.904 27.453 1.00 0.00 O0 ATOM 1007 CB SER A 107 1.913 8.376 25.128 1.00 0.00 C0 ATOM 1008 OG SER A 107 1.571 9.506 25.882 1.00 0.00 O0 ATOM 0 H SER A 107 2.447 5.956 24.570 1.00 0.00 H new ATOM 0 HA SER A 107 3.882 8.112 25.931 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.294 8.686 24.155 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.023 7.774 24.945 1.00 0.00 H new ATOM 0 HG SER A 107 0.790 9.942 25.482 1.00 0.00 H new ATOM 1014 N GLN A 108 3.390 7.240 28.209 1.00 0.00 N0 ATOM 1015 CA GLN A 108 3.067 6.897 29.588 1.00 0.00 C0 ATOM 1016 C GLN A 108 3.176 8.114 30.498 1.00 0.00 C0 ATOM 1017 O GLN A 108 4.275 8.571 30.812 1.00 0.00 O0 ATOM 1018 CB GLN A 108 3.988 5.783 30.094 1.00 0.00 C0 ATOM 1019 CG GLN A 108 3.823 5.460 31.569 1.00 0.00 C0 ATOM 1020 CD GLN A 108 2.457 4.878 31.885 1.00 0.00 C0 ATOM 1021 OE1 GLN A 108 2.107 3.791 31.417 1.00 0.00 O0 ATOM 1022 NE2 GLN A 108 1.677 5.600 32.680 1.00 0.00 N0 ATOM 0 H GLN A 108 4.363 7.508 28.058 1.00 0.00 H new ATOM 0 HA GLN A 108 2.036 6.544 29.609 1.00 0.00 H new ATOM 0 HB2 GLN A 108 3.801 4.880 29.513 1.00 0.00 H new ATOM 0 HB3 GLN A 108 5.023 6.071 29.910 1.00 0.00 H new ATOM 0 HG2 GLN A 108 4.595 4.753 31.872 1.00 0.00 H new ATOM 0 HG3 GLN A 108 3.973 6.366 32.156 1.00 0.00 H new ATOM 0 HE21 GLN A 108 2.008 6.494 33.044 1.00 0.00 H new ATOM 0 HE22 GLN A 108 0.747 5.261 32.927 1.00 0.00 H new ATOM 1031 N PRO A 109 2.028 8.636 30.920 1.00 0.00 N0 ATOM 1032 CA PRO A 109 1.993 9.768 31.839 1.00 0.00 C0 ATOM 1033 C PRO A 109 2.763 9.462 33.117 1.00 0.00 C0 ATOM 1034 O PRO A 109 2.752 8.333 33.605 1.00 0.00 O0 ATOM 1035 CB PRO A 109 0.496 9.945 32.109 1.00 0.00 C0 ATOM 1036 CG PRO A 109 -0.164 9.387 30.895 1.00 0.00 C0 ATOM 1037 CD PRO A 109 0.684 8.200 30.521 1.00 0.00 C0 ATOM 0 HA PRO A 109 2.460 10.667 31.437 1.00 0.00 H new ATOM 0 HB2 PRO A 109 0.188 9.413 33.009 1.00 0.00 H new ATOM 0 HB3 PRO A 109 0.239 10.994 32.255 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.192 9.091 31.102 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -0.199 10.120 30.089 1.00 0.00 H new ATOM 0 HD2 PRO A 109 0.376 7.298 31.049 1.00 0.00 H new ATOM 0 HD3 PRO A 109 0.628 7.980 29.455 1.00 0.00 H new ATOM 1045 N GLY A 110 3.430 10.477 33.657 1.00 0.00 N0 ATOM 1046 CA GLY A 110 4.178 10.328 34.900 1.00 0.00 C0 ATOM 1047 C GLY A 110 5.623 9.930 34.628 1.00 0.00 C0 ATOM 1048 O GLY A 110 6.298 9.380 35.498 1.00 0.00 O0 ATOM 0 H GLY A 110 3.468 11.413 33.253 1.00 0.00 H new ATOM 0 HA2 GLY A 110 4.155 11.265 35.456 1.00 0.00 H new ATOM 0 HA3 GLY A 110 3.702 9.574 35.526 1.00 0.00 H new ATOM 1052 N GLY A 111 6.092 10.210 33.417 1.00 0.00 N0 ATOM 1053 CA GLY A 111 7.465 9.904 33.038 1.00 0.00 C0 ATOM 1054 C GLY A 111 7.719 10.238 31.573 1.00 0.00 C0 ATOM 1055 O GLY A 111 6.893 10.874 30.919 1.00 0.00 O0 ATOM 0 H GLY A 111 5.540 10.649 32.680 1.00 0.00 H new ATOM 0 HA2 GLY A 111 8.153 10.468 33.667 1.00 0.00 H new ATOM 0 HA3 GLY A 111 7.667 8.847 33.213 1.00 0.00 H new ATOM 1059 N LYS A 112 8.867 9.804 31.063 1.00 0.00 N0 ATOM 1060 CA LYS A 112 9.223 10.038 29.669 1.00 0.00 C0 ATOM 1061 C LYS A 112 8.694 8.927 28.771 1.00 0.00 C0 ATOM 1062 O LYS A 112 8.553 7.782 29.201 1.00 0.00 O0 ATOM 1063 CB LYS A 112 10.741 10.158 29.516 1.00 0.00 C0 ATOM 1064 CG LYS A 112 11.346 11.379 30.196 1.00 0.00 C0 ATOM 1065 CD LYS A 112 12.849 11.449 29.970 1.00 0.00 C0 ATOM 1066 CE LYS A 112 13.455 12.669 30.648 1.00 0.00 C0 ATOM 1067 NZ LYS A 112 14.928 12.743 30.447 1.00 0.00 N0 ATOM 0 H LYS A 112 9.567 9.288 31.595 1.00 0.00 H new ATOM 0 HA LYS A 112 8.760 10.976 29.361 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.207 9.261 29.924 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.986 10.190 28.454 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.875 12.283 29.810 1.00 0.00 H new ATOM 0 HG3 LYS A 112 11.138 11.343 31.265 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.319 10.545 30.356 1.00 0.00 H new ATOM 0 HD3 LYS A 112 13.057 11.484 28.901 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.989 13.572 30.253 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.236 12.637 31.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 15.301 13.588 30.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 15.376 11.893 30.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 15.137 12.799 29.430 1.00 0.00 H new ATOM 1081 N PRO A 113 8.401 9.272 27.521 1.00 0.00 N0 ATOM 1082 CA PRO A 113 7.871 8.308 26.565 1.00 0.00 C0 ATOM 1083 C PRO A 113 8.944 7.317 26.130 1.00 0.00 C0 ATOM 1084 O PRO A 113 10.128 7.650 26.082 1.00 0.00 O0 ATOM 1085 CB PRO A 113 7.414 9.193 25.401 1.00 0.00 C0 ATOM 1086 CG PRO A 113 8.302 10.387 25.479 1.00 0.00 C0 ATOM 1087 CD PRO A 113 8.474 10.631 26.954 1.00 0.00 C0 ATOM 0 HA PRO A 113 7.068 7.693 26.971 1.00 0.00 H new ATOM 0 HB2 PRO A 113 7.520 8.680 24.445 1.00 0.00 H new ATOM 0 HB3 PRO A 113 6.364 9.470 25.500 1.00 0.00 H new ATOM 0 HG2 PRO A 113 9.260 10.202 24.993 1.00 0.00 H new ATOM 0 HG3 PRO A 113 7.854 11.248 24.984 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.427 11.111 27.176 1.00 0.00 H new ATOM 0 HD3 PRO A 113 7.691 11.277 27.351 1.00 0.00 H new ATOM 1095 N GLN A 114 8.522 6.097 25.813 1.00 0.00 N0 ATOM 1096 CA GLN A 114 9.443 5.062 25.362 1.00 0.00 C0 ATOM 1097 C GLN A 114 9.292 4.802 23.868 1.00 0.00 C0 ATOM 1098 O GLN A 114 8.203 4.940 23.312 1.00 0.00 O0 ATOM 1099 CB GLN A 114 9.216 3.764 26.143 1.00 0.00 C0 ATOM 1100 CG GLN A 114 9.290 3.926 27.652 1.00 0.00 C0 ATOM 1101 CD GLN A 114 10.666 4.358 28.122 1.00 0.00 C0 ATOM 1102 OE1 GLN A 114 11.662 3.665 27.892 1.00 0.00 O0 ATOM 1103 NE2 GLN A 114 10.732 5.508 28.782 1.00 0.00 N0 ATOM 0 H GLN A 114 7.547 5.802 25.861 1.00 0.00 H new ATOM 0 HA GLN A 114 10.457 5.417 25.548 1.00 0.00 H new ATOM 0 HB2 GLN A 114 8.238 3.360 25.879 1.00 0.00 H new ATOM 0 HB3 GLN A 114 9.959 3.030 25.830 1.00 0.00 H new ATOM 0 HG2 GLN A 114 8.552 4.662 27.972 1.00 0.00 H new ATOM 0 HG3 GLN A 114 9.026 2.982 28.129 1.00 0.00 H new ATOM 0 HE21 GLN A 114 9.884 6.049 28.950 1.00 0.00 H new ATOM 0 HE22 GLN A 114 11.631 5.851 29.121 1.00 0.00 H new ATOM 1112 N LEU A 115 10.392 4.426 23.224 1.00 0.00 N0 ATOM 1113 CA LEU A 115 10.405 4.234 21.779 1.00 0.00 C0 ATOM 1114 C LEU A 115 11.228 3.011 21.394 1.00 0.00 C0 ATOM 1115 O LEU A 115 12.357 2.841 21.852 1.00 0.00 O0 ATOM 1116 CB LEU A 115 10.972 5.478 21.084 1.00 0.00 C0 ATOM 1117 CG LEU A 115 10.953 5.449 19.551 1.00 0.00 C0 ATOM 1118 CD1 LEU A 115 10.684 6.851 19.020 1.00 0.00 C0 ATOM 1119 CD2 LEU A 115 12.282 4.916 19.037 1.00 0.00 C0 ATOM 0 H LEU A 115 11.287 4.248 23.681 1.00 0.00 H new ATOM 0 HA LEU A 115 9.377 4.074 21.453 1.00 0.00 H new ATOM 0 HB2 LEU A 115 10.408 6.348 21.420 1.00 0.00 H new ATOM 0 HB3 LEU A 115 12.001 5.619 21.414 1.00 0.00 H new ATOM 0 HG LEU A 115 10.159 4.790 19.200 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.670 6.831 17.930 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.720 7.201 19.389 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.469 7.526 19.361 1.00 0.00 H new ATOM 0 HD21 LEU A 115 12.269 4.895 17.947 1.00 0.00 H new ATOM 0 HD22 LEU A 115 13.090 5.563 19.378 1.00 0.00 H new ATOM 0 HD23 LEU A 115 12.441 3.907 19.417 1.00 0.00 H new ATOM 1131 N VAL A 116 10.653 2.161 20.549 1.00 0.00 N0 ATOM 1132 CA VAL A 116 11.349 0.974 20.066 1.00 0.00 C0 ATOM 1133 C VAL A 116 11.420 0.956 18.545 1.00 0.00 C0 ATOM 1134 O VAL A 116 10.407 1.125 17.865 1.00 0.00 O0 ATOM 1135 CB VAL A 116 10.637 -0.300 20.558 1.00 0.00 C0 ATOM 1136 CG1 VAL A 116 11.326 -1.541 20.010 1.00 0.00 C0 ATOM 1137 CG2 VAL A 116 10.611 -0.325 22.079 1.00 0.00 C0 ATOM 0 H VAL A 116 9.707 2.272 20.185 1.00 0.00 H new ATOM 0 HA VAL A 116 12.364 1.002 20.462 1.00 0.00 H new ATOM 0 HB VAL A 116 9.610 -0.294 20.192 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.810 -2.432 20.368 1.00 0.00 H new ATOM 0 HG12 VAL A 116 11.301 -1.520 18.920 1.00 0.00 H new ATOM 0 HG13 VAL A 116 12.362 -1.562 20.349 1.00 0.00 H new ATOM 0 HG21 VAL A 116 10.106 -1.229 22.419 1.00 0.00 H new ATOM 0 HG22 VAL A 116 11.632 -0.314 22.461 1.00 0.00 H new ATOM 0 HG23 VAL A 116 10.076 0.550 22.448 1.00 0.00 H new ATOM 1147 N ALA A 117 12.622 0.753 18.015 1.00 0.00 N0 ATOM 1148 CA ALA A 117 12.822 0.687 16.573 1.00 0.00 C0 ATOM 1149 C ALA A 117 12.406 -0.670 16.020 1.00 0.00 C0 ATOM 1150 O ALA A 117 12.711 -1.708 16.605 1.00 0.00 O0 ATOM 1151 CB ALA A 117 14.275 0.978 16.225 1.00 0.00 C0 ATOM 0 H ALA A 117 13.473 0.631 18.564 1.00 0.00 H new ATOM 0 HA ALA A 117 12.191 1.446 16.111 1.00 0.00 H new ATOM 0 HB1 ALA A 117 14.408 0.925 15.144 1.00 0.00 H new ATOM 0 HB2 ALA A 117 14.540 1.976 16.575 1.00 0.00 H new ATOM 0 HB3 ALA A 117 14.919 0.242 16.706 1.00 0.00 H new ATOM 1157 N GLU A 118 11.707 -0.654 14.890 1.00 0.00 N0 ATOM 1158 CA GLU A 118 11.262 -1.885 14.247 1.00 0.00 C0 ATOM 1159 C GLU A 118 11.409 -1.801 12.734 1.00 0.00 C0 ATOM 1160 O GLU A 118 10.426 -1.615 12.015 1.00 0.00 O0 ATOM 1161 CB GLU A 118 9.805 -2.180 14.612 1.00 0.00 C0 ATOM 1162 CG GLU A 118 9.551 -2.340 16.105 1.00 0.00 C0 ATOM 1163 CD GLU A 118 8.116 -2.654 16.423 1.00 0.00 C0 ATOM 1164 OE1 GLU A 118 7.394 -3.016 15.526 1.00 0.00 O0 ATOM 1165 OE2 GLU A 118 7.742 -2.532 17.566 1.00 0.00 O0 ATOM 0 H GLU A 118 11.436 0.199 14.400 1.00 0.00 H new ATOM 0 HA GLU A 118 11.894 -2.696 14.608 1.00 0.00 H new ATOM 0 HB2 GLU A 118 9.178 -1.373 14.233 1.00 0.00 H new ATOM 0 HB3 GLU A 118 9.493 -3.092 14.103 1.00 0.00 H new ATOM 0 HG2 GLU A 118 10.187 -3.136 16.493 1.00 0.00 H new ATOM 0 HG3 GLU A 118 9.839 -1.423 16.618 1.00 0.00 H new ATOM 1172 N PRO A 119 12.641 -1.937 12.255 1.00 0.00 N0 ATOM 1173 CA PRO A 119 12.914 -1.903 10.823 1.00 0.00 C0 ATOM 1174 C PRO A 119 12.059 -2.917 10.074 1.00 0.00 C0 ATOM 1175 O PRO A 119 10.916 -2.660 9.812 1.00 0.00 O0 ATOM 1176 CB PRO A 119 14.404 -2.255 10.749 1.00 0.00 C0 ATOM 1177 CG PRO A 119 14.958 -1.777 12.048 1.00 0.00 C0 ATOM 1178 CD PRO A 119 13.881 -2.090 13.052 1.00 0.00 C0 ATOM 0 HA PRO A 119 12.681 -0.944 10.361 1.00 0.00 H new ATOM 0 HB2 PRO A 119 14.554 -3.327 10.623 1.00 0.00 H new ATOM 0 HB3 PRO A 119 14.888 -1.764 9.905 1.00 0.00 H new ATOM 0 HG2 PRO A 119 15.890 -2.286 12.294 1.00 0.00 H new ATOM 0 HG3 PRO A 119 15.176 -0.709 12.018 1.00 0.00 H new ATOM 0 HD2 PRO A 119 13.982 -3.098 13.454 1.00 0.00 H new ATOM 0 HD3 PRO A 119 13.905 -1.405 13.899 1.00 0.00 H new