USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 679 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 119 SER OG : rot 78:sc= 0.337 USER MOD Set 1.2: A 132 SER OG : rot 180:sc= 0.314 USER MOD Set 2.1: A 78 SER OG : rot 180:sc= -0.971 USER MOD Set 2.2: A 109 THR OG1 : rot 37:sc= 0.193 USER MOD Set 3.1: A 89 THR OG1 : rot 180:sc= -0.392 USER MOD Set 3.2: A 124 ASN : amide:sc= -0.0677 K(o=-0.46,f=-4.6!) USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 7 LYS NZ :NH3+ -168:sc= -0.0151 (180deg=-0.191) USER MOD Single : A 9 ASN : amide:sc= 0.0033 X(o=0.0033,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.659 K(o=-0.66,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -58:sc= 0.244 USER MOD Single : A 68 SER OG : rot -116:sc= 0.211 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 88:sc= 1.02 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 90 SER OG : rot 180:sc= -0.183 USER MOD Single : A 94 MET CE :methyl 144:sc= -0.0681 (180deg=-1.74!) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc=-0.00429 X(o=-0.0043,f=-0.0043) USER MOD Single : A 116 TYR OH : rot 164:sc= 0.214 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 ASN : amide:sc= -3.72! C(o=-3.7!,f=-2.1!) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= -0.298 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N ALA A 3 -91.129 -30.220 38.361 1.00 12.31 N ATOM 35 CA ALA A 3 -91.153 -31.444 37.579 1.00 1.40 C ATOM 36 C ALA A 3 -90.156 -31.335 36.435 1.00 4.23 C ATOM 37 O ALA A 3 -90.413 -30.673 35.425 1.00 31.52 O ATOM 38 CB ALA A 3 -92.558 -31.729 37.064 1.00 35.20 C ATOM 0 HA ALA A 3 -90.865 -32.281 38.214 1.00 1.40 H new ATOM 0 HB1 ALA A 3 -92.552 -32.650 36.481 1.00 35.20 H new ATOM 0 HB2 ALA A 3 -93.240 -31.838 37.908 1.00 35.20 H new ATOM 0 HB3 ALA A 3 -92.889 -30.903 36.434 1.00 35.20 H new ATOM 44 N ARG A 4 -88.998 -31.957 36.625 1.00 33.21 N ATOM 45 CA ARG A 4 -87.905 -31.855 35.670 1.00 52.41 C ATOM 46 C ARG A 4 -87.838 -33.075 34.755 1.00 70.33 C ATOM 47 O ARG A 4 -88.419 -34.120 35.054 1.00 1.13 O ATOM 48 CB ARG A 4 -86.559 -31.608 36.406 1.00 52.22 C ATOM 49 CG ARG A 4 -86.143 -32.648 37.463 1.00 45.13 C ATOM 50 CD ARG A 4 -85.476 -33.883 36.852 1.00 75.35 C ATOM 51 NE ARG A 4 -84.857 -34.761 37.847 1.00 35.13 N ATOM 52 CZ ARG A 4 -84.388 -35.990 37.577 1.00 34.33 C ATOM 53 NH1 ARG A 4 -84.584 -36.544 36.382 1.00 71.23 N ATOM 54 NH2 ARG A 4 -83.752 -36.672 38.513 1.00 21.01 N ATOM 0 H ARG A 4 -88.793 -32.540 37.437 1.00 33.21 H new ATOM 0 HA ARG A 4 -88.097 -30.995 35.028 1.00 52.41 H new ATOM 0 HB2 ARG A 4 -85.769 -31.550 35.658 1.00 52.22 H new ATOM 0 HB3 ARG A 4 -86.611 -30.633 36.891 1.00 52.22 H new ATOM 0 HG2 ARG A 4 -85.457 -32.184 38.172 1.00 45.13 H new ATOM 0 HG3 ARG A 4 -87.023 -32.958 38.027 1.00 45.13 H new ATOM 0 HD2 ARG A 4 -86.220 -34.449 36.292 1.00 75.35 H new ATOM 0 HD3 ARG A 4 -84.717 -33.562 36.139 1.00 75.35 H new ATOM 0 HE ARG A 4 -84.777 -34.418 38.804 1.00 35.13 H new ATOM 0 HH11 ARG A 4 -85.095 -36.034 35.661 1.00 71.23 H new ATOM 0 HH12 ARG A 4 -84.223 -37.478 36.188 1.00 71.23 H new ATOM 0 HH21 ARG A 4 -83.618 -36.265 39.439 1.00 21.01 H new ATOM 0 HH22 ARG A 4 -83.395 -37.606 38.310 1.00 21.01 H new ATOM 68 N ASP A 5 -87.118 -32.933 33.650 1.00 45.31 N ATOM 69 CA ASP A 5 -86.866 -34.043 32.742 1.00 52.23 C ATOM 70 C ASP A 5 -85.400 -34.029 32.331 1.00 71.02 C ATOM 71 O ASP A 5 -84.962 -33.134 31.603 1.00 21.23 O ATOM 72 CB ASP A 5 -87.763 -33.956 31.497 1.00 14.22 C ATOM 73 CG ASP A 5 -87.898 -35.283 30.767 1.00 54.01 C ATOM 74 OD1 ASP A 5 -86.944 -35.711 30.092 1.00 30.51 O ATOM 75 OD2 ASP A 5 -88.983 -35.893 30.859 1.00 13.40 O ATOM 0 H ASP A 5 -86.695 -32.051 33.360 1.00 45.31 H new ATOM 0 HA ASP A 5 -87.098 -34.976 33.256 1.00 52.23 H new ATOM 0 HB2 ASP A 5 -88.753 -33.608 31.793 1.00 14.22 H new ATOM 0 HB3 ASP A 5 -87.355 -33.212 30.813 1.00 14.22 H new ATOM 80 N ASN A 6 -84.644 -35.006 32.810 1.00 5.31 N ATOM 81 CA ASN A 6 -83.229 -35.093 32.494 1.00 52.44 C ATOM 82 C ASN A 6 -83.007 -36.192 31.459 1.00 12.33 C ATOM 83 O ASN A 6 -82.926 -37.378 31.798 1.00 42.31 O ATOM 84 CB ASN A 6 -82.401 -35.361 33.756 1.00 43.34 C ATOM 85 CG ASN A 6 -80.901 -35.273 33.518 1.00 42.33 C ATOM 86 OD1 ASN A 6 -80.434 -34.487 32.693 1.00 52.22 O ATOM 87 ND2 ASN A 6 -80.140 -36.088 34.228 1.00 63.05 N ATOM 0 H ASN A 6 -84.988 -35.749 33.419 1.00 5.31 H new ATOM 0 HA ASN A 6 -82.900 -34.140 32.080 1.00 52.44 H new ATOM 0 HB2 ASN A 6 -82.683 -34.644 34.527 1.00 43.34 H new ATOM 0 HB3 ASN A 6 -82.644 -36.352 34.139 1.00 43.34 H new ATOM 0 HD21 ASN A 6 -79.128 -36.080 34.102 1.00 63.05 H new ATOM 0 HD22 ASN A 6 -80.565 -36.725 34.902 1.00 63.05 H new ATOM 94 N LYS A 7 -82.958 -35.787 30.196 1.00 0.32 N ATOM 95 CA LYS A 7 -82.753 -36.714 29.097 1.00 2.20 C ATOM 96 C LYS A 7 -82.077 -36.009 27.924 1.00 54.14 C ATOM 97 O LYS A 7 -82.621 -35.058 27.355 1.00 22.33 O ATOM 98 CB LYS A 7 -84.092 -37.320 28.649 1.00 24.41 C ATOM 99 CG LYS A 7 -83.946 -38.532 27.748 1.00 74.42 C ATOM 100 CD LYS A 7 -83.291 -39.697 28.477 1.00 1.33 C ATOM 101 CE LYS A 7 -83.149 -40.921 27.578 1.00 15.33 C ATOM 102 NZ LYS A 7 -84.479 -41.432 27.125 1.00 11.41 N ATOM 0 H LYS A 7 -83.059 -34.813 29.909 1.00 0.32 H new ATOM 0 HA LYS A 7 -82.104 -37.518 29.443 1.00 2.20 H new ATOM 0 HB2 LYS A 7 -84.666 -37.602 29.532 1.00 24.41 H new ATOM 0 HB3 LYS A 7 -84.668 -36.557 28.125 1.00 24.41 H new ATOM 0 HG2 LYS A 7 -84.927 -38.836 27.384 1.00 74.42 H new ATOM 0 HG3 LYS A 7 -83.350 -38.267 26.875 1.00 74.42 H new ATOM 0 HD2 LYS A 7 -82.308 -39.394 28.836 1.00 1.33 H new ATOM 0 HD3 LYS A 7 -83.884 -39.957 29.354 1.00 1.33 H new ATOM 0 HE2 LYS A 7 -82.542 -40.666 26.709 1.00 15.33 H new ATOM 0 HE3 LYS A 7 -82.621 -41.708 28.116 1.00 15.33 H new ATOM 0 HZ1 LYS A 7 -84.361 -42.370 26.691 1.00 11.41 H new ATOM 0 HZ2 LYS A 7 -85.119 -41.506 27.942 1.00 11.41 H new ATOM 0 HZ3 LYS A 7 -84.884 -40.776 26.427 1.00 11.41 H new ATOM 116 N PHE A 8 -80.878 -36.472 27.592 1.00 43.44 N ATOM 117 CA PHE A 8 -80.149 -35.996 26.425 1.00 33.51 C ATOM 118 C PHE A 8 -79.235 -37.103 25.911 1.00 32.34 C ATOM 119 O PHE A 8 -78.580 -37.794 26.695 1.00 4.42 O ATOM 120 CB PHE A 8 -79.328 -34.729 26.756 1.00 11.52 C ATOM 121 CG PHE A 8 -78.555 -34.170 25.581 1.00 63.02 C ATOM 122 CD1 PHE A 8 -79.201 -33.469 24.572 1.00 12.41 C ATOM 123 CD2 PHE A 8 -77.182 -34.361 25.481 1.00 43.53 C ATOM 124 CE1 PHE A 8 -78.495 -32.970 23.494 1.00 14.02 C ATOM 125 CE2 PHE A 8 -76.474 -33.864 24.406 1.00 45.11 C ATOM 126 CZ PHE A 8 -77.132 -33.170 23.410 1.00 64.51 C ATOM 0 H PHE A 8 -80.384 -37.188 28.125 1.00 43.44 H new ATOM 0 HA PHE A 8 -80.868 -35.730 25.650 1.00 33.51 H new ATOM 0 HB2 PHE A 8 -80.002 -33.960 27.133 1.00 11.52 H new ATOM 0 HB3 PHE A 8 -78.629 -34.961 27.560 1.00 11.52 H new ATOM 0 HD1 PHE A 8 -80.268 -33.312 24.630 1.00 12.41 H new ATOM 0 HD2 PHE A 8 -76.662 -34.906 26.255 1.00 43.53 H new ATOM 0 HE1 PHE A 8 -79.010 -32.424 22.717 1.00 14.02 H new ATOM 0 HE2 PHE A 8 -75.407 -34.018 24.344 1.00 45.11 H new ATOM 0 HZ PHE A 8 -76.580 -32.784 22.566 1.00 64.51 H new ATOM 136 N ASN A 9 -79.205 -37.268 24.598 1.00 23.22 N ATOM 137 CA ASN A 9 -78.277 -38.189 23.962 1.00 72.03 C ATOM 138 C ASN A 9 -77.644 -37.526 22.747 1.00 74.22 C ATOM 139 O ASN A 9 -78.214 -36.595 22.171 1.00 25.54 O ATOM 140 CB ASN A 9 -78.976 -39.504 23.560 1.00 64.41 C ATOM 141 CG ASN A 9 -80.035 -39.337 22.476 1.00 53.45 C ATOM 142 OD1 ASN A 9 -81.191 -39.056 22.765 1.00 51.22 O ATOM 143 ND2 ASN A 9 -79.649 -39.540 21.223 1.00 75.35 N ATOM 0 H ASN A 9 -79.817 -36.773 23.949 1.00 23.22 H new ATOM 0 HA ASN A 9 -77.496 -38.439 24.680 1.00 72.03 H new ATOM 0 HB2 ASN A 9 -78.224 -40.212 23.212 1.00 64.41 H new ATOM 0 HB3 ASN A 9 -79.441 -39.941 24.444 1.00 64.41 H new ATOM 0 HD21 ASN A 9 -80.324 -39.464 20.463 1.00 75.35 H new ATOM 0 HD22 ASN A 9 -78.677 -39.773 21.020 1.00 75.35 H new ATOM 150 N THR A 10 -76.454 -37.986 22.386 1.00 52.43 N ATOM 151 CA THR A 10 -75.810 -37.569 21.158 1.00 51.44 C ATOM 152 C THR A 10 -74.999 -38.731 20.568 1.00 64.12 C ATOM 153 O THR A 10 -74.044 -39.227 21.178 1.00 53.44 O ATOM 154 CB THR A 10 -74.963 -36.265 21.350 1.00 42.22 C ATOM 155 OG1 THR A 10 -74.297 -35.919 20.131 1.00 5.22 O ATOM 156 CG2 THR A 10 -73.945 -36.362 22.492 1.00 32.32 C ATOM 0 H THR A 10 -75.914 -38.655 22.936 1.00 52.43 H new ATOM 0 HA THR A 10 -76.581 -37.306 20.434 1.00 51.44 H new ATOM 0 HB THR A 10 -75.669 -35.481 21.625 1.00 42.22 H new ATOM 0 HG1 THR A 10 -73.773 -35.102 20.265 1.00 5.22 H new ATOM 0 HG21 THR A 10 -73.394 -35.425 22.569 1.00 32.32 H new ATOM 0 HG22 THR A 10 -74.467 -36.554 23.429 1.00 32.32 H new ATOM 0 HG23 THR A 10 -73.249 -37.177 22.291 1.00 32.32 H new ATOM 164 N TRP A 11 -75.445 -39.213 19.407 1.00 2.12 N ATOM 165 CA TRP A 11 -74.797 -40.345 18.742 1.00 3.21 C ATOM 166 C TRP A 11 -74.397 -39.983 17.319 1.00 71.14 C ATOM 167 O TRP A 11 -75.134 -40.225 16.357 1.00 54.10 O ATOM 168 CB TRP A 11 -75.695 -41.592 18.731 1.00 24.52 C ATOM 169 CG TRP A 11 -76.080 -42.078 20.098 1.00 34.11 C ATOM 170 CD1 TRP A 11 -77.329 -42.084 20.633 1.00 42.03 C ATOM 171 CD2 TRP A 11 -75.208 -42.612 21.105 1.00 72.20 C ATOM 172 NE1 TRP A 11 -77.298 -42.588 21.904 1.00 64.11 N ATOM 173 CE2 TRP A 11 -76.009 -42.925 22.220 1.00 52.21 C ATOM 174 CE3 TRP A 11 -73.835 -42.862 21.173 1.00 20.20 C ATOM 175 CZ2 TRP A 11 -75.480 -43.464 23.391 1.00 63.11 C ATOM 176 CZ3 TRP A 11 -73.312 -43.399 22.332 1.00 42.21 C ATOM 177 CH2 TRP A 11 -74.134 -43.700 23.428 1.00 65.44 C ATOM 0 H TRP A 11 -76.252 -38.838 18.908 1.00 2.12 H new ATOM 0 HA TRP A 11 -73.900 -40.579 19.315 1.00 3.21 H new ATOM 0 HB2 TRP A 11 -76.601 -41.370 18.167 1.00 24.52 H new ATOM 0 HB3 TRP A 11 -75.179 -42.394 18.203 1.00 24.52 H new ATOM 0 HD1 TRP A 11 -78.219 -41.740 20.127 1.00 42.03 H new ATOM 0 HE1 TRP A 11 -78.105 -42.696 22.518 1.00 64.11 H new ATOM 0 HE3 TRP A 11 -73.194 -42.639 20.333 1.00 20.20 H new ATOM 0 HZ2 TRP A 11 -76.111 -43.687 24.239 1.00 63.11 H new ATOM 0 HZ3 TRP A 11 -72.251 -43.591 22.396 1.00 42.21 H new ATOM 0 HH2 TRP A 11 -73.695 -44.126 24.318 1.00 65.44 H new ATOM 188 N ASN A 12 -73.244 -39.352 17.203 1.00 75.01 N ATOM 189 CA ASN A 12 -72.652 -39.049 15.913 1.00 21.31 C ATOM 190 C ASN A 12 -71.356 -39.838 15.782 1.00 35.31 C ATOM 191 O ASN A 12 -70.309 -39.449 16.308 1.00 60.34 O ATOM 192 CB ASN A 12 -72.418 -37.536 15.770 1.00 62.31 C ATOM 193 CG ASN A 12 -71.916 -37.102 14.396 1.00 71.24 C ATOM 194 OD1 ASN A 12 -71.140 -36.153 14.295 1.00 62.44 O ATOM 195 ND2 ASN A 12 -72.368 -37.759 13.333 1.00 41.31 N ATOM 0 H ASN A 12 -72.691 -39.035 18.000 1.00 75.01 H new ATOM 0 HA ASN A 12 -73.327 -39.341 15.108 1.00 21.31 H new ATOM 0 HB2 ASN A 12 -73.351 -37.015 15.984 1.00 62.31 H new ATOM 0 HB3 ASN A 12 -71.697 -37.220 16.523 1.00 62.31 H new ATOM 0 HD21 ASN A 12 -72.072 -37.480 12.397 1.00 41.31 H new ATOM 0 HD22 ASN A 12 -73.011 -38.542 13.453 1.00 41.31 H new ATOM 202 N ASP A 13 -71.457 -40.975 15.110 1.00 60.22 N ATOM 203 CA ASP A 13 -70.352 -41.922 15.006 1.00 54.25 C ATOM 204 C ASP A 13 -69.700 -41.824 13.631 1.00 1.41 C ATOM 205 O ASP A 13 -70.380 -41.847 12.599 1.00 44.31 O ATOM 206 CB ASP A 13 -70.866 -43.349 15.281 1.00 12.42 C ATOM 207 CG ASP A 13 -69.773 -44.409 15.249 1.00 14.32 C ATOM 208 OD1 ASP A 13 -68.925 -44.424 16.164 1.00 11.31 O ATOM 209 OD2 ASP A 13 -69.764 -45.231 14.306 1.00 3.45 O ATOM 0 H ASP A 13 -72.303 -41.268 14.622 1.00 60.22 H new ATOM 0 HA ASP A 13 -69.594 -41.679 15.751 1.00 54.25 H new ATOM 0 HB2 ASP A 13 -71.351 -43.369 16.257 1.00 12.42 H new ATOM 0 HB3 ASP A 13 -71.626 -43.601 14.542 1.00 12.42 H new ATOM 214 N SER A 14 -68.382 -41.702 13.630 1.00 42.13 N ATOM 215 CA SER A 14 -67.626 -41.540 12.404 1.00 24.13 C ATOM 216 C SER A 14 -66.615 -42.678 12.262 1.00 40.41 C ATOM 217 O SER A 14 -66.379 -43.447 13.203 1.00 43.24 O ATOM 218 CB SER A 14 -66.912 -40.179 12.409 1.00 14.12 C ATOM 219 OG SER A 14 -66.512 -39.785 11.103 1.00 73.21 O ATOM 0 H SER A 14 -67.811 -41.713 14.475 1.00 42.13 H new ATOM 0 HA SER A 14 -68.306 -41.573 11.553 1.00 24.13 H new ATOM 0 HB2 SER A 14 -67.575 -39.423 12.829 1.00 14.12 H new ATOM 0 HB3 SER A 14 -66.037 -40.231 13.057 1.00 14.12 H new ATOM 0 HG SER A 14 -66.063 -38.915 11.147 1.00 73.21 H new ATOM 225 N ARG A 15 -66.021 -42.767 11.084 1.00 30.21 N ATOM 226 CA ARG A 15 -65.053 -43.808 10.768 1.00 65.43 C ATOM 227 C ARG A 15 -63.629 -43.228 10.723 1.00 60.13 C ATOM 228 O ARG A 15 -63.440 -42.026 10.937 1.00 72.02 O ATOM 229 CB ARG A 15 -65.435 -44.467 9.434 1.00 72.22 C ATOM 230 CG ARG A 15 -65.599 -43.468 8.300 1.00 12.12 C ATOM 231 CD ARG A 15 -66.100 -44.112 7.023 1.00 13.32 C ATOM 232 NE ARG A 15 -67.515 -44.490 7.094 1.00 12.20 N ATOM 233 CZ ARG A 15 -68.485 -43.924 6.355 1.00 54.42 C ATOM 234 NH1 ARG A 15 -68.207 -42.906 5.535 1.00 24.45 N ATOM 235 NH2 ARG A 15 -69.731 -44.362 6.454 1.00 75.02 N ATOM 0 H ARG A 15 -66.196 -42.118 10.316 1.00 30.21 H new ATOM 0 HA ARG A 15 -65.067 -44.568 11.549 1.00 65.43 H new ATOM 0 HB2 ARG A 15 -64.669 -45.193 9.162 1.00 72.22 H new ATOM 0 HB3 ARG A 15 -66.366 -45.019 9.562 1.00 72.22 H new ATOM 0 HG2 ARG A 15 -66.296 -42.688 8.606 1.00 12.12 H new ATOM 0 HG3 ARG A 15 -64.642 -42.983 8.107 1.00 12.12 H new ATOM 0 HD2 ARG A 15 -65.954 -43.422 6.192 1.00 13.32 H new ATOM 0 HD3 ARG A 15 -65.502 -44.998 6.810 1.00 13.32 H new ATOM 0 HE ARG A 15 -67.780 -45.229 7.745 1.00 12.20 H new ATOM 0 HH11 ARG A 15 -67.253 -42.553 5.466 1.00 24.45 H new ATOM 0 HH12 ARG A 15 -68.949 -42.483 4.978 1.00 24.45 H new ATOM 0 HH21 ARG A 15 -69.953 -45.128 7.090 1.00 75.02 H new ATOM 0 HH22 ARG A 15 -70.468 -43.934 5.894 1.00 75.02 H new ATOM 249 N GLY A 16 -62.632 -44.072 10.457 1.00 42.23 N ATOM 250 CA GLY A 16 -61.257 -43.606 10.433 1.00 71.43 C ATOM 251 C GLY A 16 -60.359 -44.425 9.532 1.00 72.20 C ATOM 252 O GLY A 16 -60.095 -45.598 9.808 1.00 1.52 O ATOM 0 H GLY A 16 -62.753 -45.065 10.259 1.00 42.23 H new ATOM 0 HA2 GLY A 16 -61.239 -42.567 10.104 1.00 71.43 H new ATOM 0 HA3 GLY A 16 -60.857 -43.626 11.447 1.00 71.43 H new ATOM 256 N ASN A 17 -59.882 -43.807 8.458 1.00 54.45 N ATOM 257 CA ASN A 17 -58.949 -44.462 7.543 1.00 12.25 C ATOM 258 C ASN A 17 -57.540 -43.919 7.761 1.00 50.41 C ATOM 259 O ASN A 17 -57.369 -42.805 8.272 1.00 4.54 O ATOM 260 CB ASN A 17 -59.373 -44.299 6.065 1.00 61.31 C ATOM 261 CG ASN A 17 -59.253 -42.874 5.534 1.00 32.25 C ATOM 262 OD1 ASN A 17 -58.211 -42.479 5.018 1.00 12.30 O ATOM 263 ND2 ASN A 17 -60.326 -42.108 5.627 1.00 61.21 N ATOM 0 H ASN A 17 -60.125 -42.851 8.197 1.00 54.45 H new ATOM 0 HA ASN A 17 -58.962 -45.530 7.763 1.00 12.25 H new ATOM 0 HB2 ASN A 17 -58.761 -44.957 5.448 1.00 61.31 H new ATOM 0 HB3 ASN A 17 -60.406 -44.630 5.956 1.00 61.31 H new ATOM 0 HD21 ASN A 17 -60.305 -41.155 5.264 1.00 61.21 H new ATOM 0 HD22 ASN A 17 -61.175 -42.470 6.062 1.00 61.21 H new ATOM 270 N TYR A 18 -56.537 -44.703 7.382 1.00 21.35 N ATOM 271 CA TYR A 18 -55.146 -44.296 7.527 1.00 74.40 C ATOM 272 C TYR A 18 -54.301 -44.810 6.368 1.00 75.01 C ATOM 273 O TYR A 18 -54.629 -45.826 5.748 1.00 42.14 O ATOM 274 CB TYR A 18 -54.564 -44.759 8.883 1.00 31.53 C ATOM 275 CG TYR A 18 -54.750 -46.233 9.211 1.00 41.14 C ATOM 276 CD1 TYR A 18 -53.862 -47.195 8.743 1.00 24.04 C ATOM 277 CD2 TYR A 18 -55.808 -46.654 10.007 1.00 21.20 C ATOM 278 CE1 TYR A 18 -54.029 -48.534 9.054 1.00 35.13 C ATOM 279 CE2 TYR A 18 -55.981 -47.990 10.324 1.00 32.43 C ATOM 280 CZ TYR A 18 -55.091 -48.930 9.845 1.00 54.42 C ATOM 281 OH TYR A 18 -55.273 -50.265 10.153 1.00 32.32 O ATOM 0 H TYR A 18 -56.663 -45.628 6.970 1.00 21.35 H new ATOM 0 HA TYR A 18 -55.117 -43.207 7.507 1.00 74.40 H new ATOM 0 HB2 TYR A 18 -53.497 -44.535 8.896 1.00 31.53 H new ATOM 0 HB3 TYR A 18 -55.023 -44.168 9.676 1.00 31.53 H new ATOM 0 HD1 TYR A 18 -53.028 -46.893 8.127 1.00 24.04 H new ATOM 0 HD2 TYR A 18 -56.509 -45.925 10.386 1.00 21.20 H new ATOM 0 HE1 TYR A 18 -53.331 -49.268 8.679 1.00 35.13 H new ATOM 0 HE2 TYR A 18 -56.810 -48.296 10.945 1.00 32.43 H new ATOM 0 HH TYR A 18 -56.067 -50.365 10.719 1.00 32.32 H new ATOM 291 N TRP A 19 -53.229 -44.083 6.083 1.00 70.41 N ATOM 292 CA TRP A 19 -52.255 -44.478 5.079 1.00 72.51 C ATOM 293 C TRP A 19 -50.885 -43.955 5.500 1.00 12.24 C ATOM 294 O TRP A 19 -50.703 -42.750 5.695 1.00 30.34 O ATOM 295 CB TRP A 19 -52.653 -43.948 3.692 1.00 14.03 C ATOM 296 CG TRP A 19 -51.839 -44.529 2.577 1.00 63.23 C ATOM 297 CD1 TRP A 19 -51.685 -45.855 2.284 1.00 4.43 C ATOM 298 CD2 TRP A 19 -51.082 -43.810 1.601 1.00 12.02 C ATOM 299 NE1 TRP A 19 -50.863 -46.003 1.194 1.00 34.14 N ATOM 300 CE2 TRP A 19 -50.481 -44.764 0.756 1.00 73.12 C ATOM 301 CE3 TRP A 19 -50.842 -42.453 1.364 1.00 24.45 C ATOM 302 CZ2 TRP A 19 -49.664 -44.401 -0.310 1.00 14.52 C ATOM 303 CZ3 TRP A 19 -50.036 -42.095 0.303 1.00 73.35 C ATOM 304 CH2 TRP A 19 -49.452 -43.067 -0.522 1.00 61.35 C ATOM 0 H TRP A 19 -53.011 -43.200 6.544 1.00 70.41 H new ATOM 0 HA TRP A 19 -52.220 -45.565 5.006 1.00 72.51 H new ATOM 0 HB2 TRP A 19 -53.706 -44.168 3.516 1.00 14.03 H new ATOM 0 HB3 TRP A 19 -52.548 -42.863 3.682 1.00 14.03 H new ATOM 0 HD1 TRP A 19 -52.143 -46.667 2.830 1.00 4.43 H new ATOM 0 HE1 TRP A 19 -50.583 -46.891 0.779 1.00 34.14 H new ATOM 0 HE3 TRP A 19 -51.280 -41.698 2.000 1.00 24.45 H new ATOM 0 HZ2 TRP A 19 -49.213 -45.147 -0.948 1.00 14.52 H new ATOM 0 HZ3 TRP A 19 -49.852 -41.049 0.105 1.00 73.35 H new ATOM 0 HH2 TRP A 19 -48.822 -42.755 -1.342 1.00 61.35 H new ATOM 315 N SER A 20 -49.934 -44.869 5.643 1.00 74.43 N ATOM 316 CA SER A 20 -48.647 -44.555 6.248 1.00 24.42 C ATOM 317 C SER A 20 -47.628 -44.055 5.225 1.00 55.51 C ATOM 318 O SER A 20 -47.774 -44.273 4.016 1.00 53.55 O ATOM 319 CB SER A 20 -48.109 -45.790 6.970 1.00 62.04 C ATOM 320 OG SER A 20 -49.058 -46.298 7.903 1.00 43.42 O ATOM 0 H SER A 20 -50.031 -45.840 5.346 1.00 74.43 H new ATOM 0 HA SER A 20 -48.804 -43.745 6.960 1.00 24.42 H new ATOM 0 HB2 SER A 20 -47.863 -46.562 6.241 1.00 62.04 H new ATOM 0 HB3 SER A 20 -47.185 -45.537 7.489 1.00 62.04 H new ATOM 0 HG SER A 20 -48.688 -47.088 8.349 1.00 43.42 H new ATOM 326 N ASP A 21 -46.608 -43.373 5.735 1.00 65.54 N ATOM 327 CA ASP A 21 -45.544 -42.814 4.917 1.00 34.23 C ATOM 328 C ASP A 21 -44.316 -43.714 4.984 1.00 42.14 C ATOM 329 O ASP A 21 -44.029 -44.306 6.030 1.00 4.43 O ATOM 330 CB ASP A 21 -45.199 -41.406 5.420 1.00 21.24 C ATOM 331 CG ASP A 21 -44.433 -40.571 4.411 1.00 3.21 C ATOM 332 OD1 ASP A 21 -45.082 -39.989 3.520 1.00 51.14 O ATOM 333 OD2 ASP A 21 -43.191 -40.487 4.514 1.00 44.32 O ATOM 0 H ASP A 21 -46.498 -43.193 6.733 1.00 65.54 H new ATOM 0 HA ASP A 21 -45.875 -42.750 3.881 1.00 34.23 H new ATOM 0 HB2 ASP A 21 -46.121 -40.887 5.683 1.00 21.24 H new ATOM 0 HB3 ASP A 21 -44.609 -41.490 6.333 1.00 21.24 H new ATOM 338 N TYR A 22 -43.592 -43.816 3.879 1.00 42.33 N ATOM 339 CA TYR A 22 -42.447 -44.710 3.811 1.00 32.42 C ATOM 340 C TYR A 22 -41.217 -44.007 3.234 1.00 20.33 C ATOM 341 O TYR A 22 -41.100 -43.801 2.018 1.00 71.01 O ATOM 342 CB TYR A 22 -42.800 -45.964 3.001 1.00 63.12 C ATOM 343 CG TYR A 22 -41.764 -47.070 3.099 1.00 42.33 C ATOM 344 CD1 TYR A 22 -41.651 -47.842 4.250 1.00 72.41 C ATOM 345 CD2 TYR A 22 -40.898 -47.336 2.046 1.00 12.43 C ATOM 346 CE1 TYR A 22 -40.703 -48.845 4.346 1.00 34.32 C ATOM 347 CE2 TYR A 22 -39.950 -48.336 2.137 1.00 32.25 C ATOM 348 CZ TYR A 22 -39.857 -49.088 3.287 1.00 44.12 C ATOM 349 OH TYR A 22 -38.915 -50.086 3.376 1.00 51.34 O ATOM 0 H TYR A 22 -43.776 -43.294 3.022 1.00 42.33 H new ATOM 0 HA TYR A 22 -42.194 -45.014 4.827 1.00 32.42 H new ATOM 0 HB2 TYR A 22 -43.761 -46.348 3.344 1.00 63.12 H new ATOM 0 HB3 TYR A 22 -42.923 -45.686 1.954 1.00 63.12 H new ATOM 0 HD1 TYR A 22 -42.314 -47.656 5.082 1.00 72.41 H new ATOM 0 HD2 TYR A 22 -40.967 -46.751 1.141 1.00 12.43 H new ATOM 0 HE1 TYR A 22 -40.627 -49.435 5.248 1.00 34.32 H new ATOM 0 HE2 TYR A 22 -39.284 -48.528 1.309 1.00 32.25 H new ATOM 0 HH TYR A 22 -38.401 -50.126 2.542 1.00 51.34 H new ATOM 848 N PRO A 59 -20.386 -3.038 15.364 1.00 41.23 N ATOM 849 CA PRO A 59 -19.271 -3.627 14.639 1.00 51.33 C ATOM 850 C PRO A 59 -18.184 -2.601 14.331 1.00 34.44 C ATOM 851 O PRO A 59 -18.426 -1.389 14.355 1.00 63.54 O ATOM 852 CB PRO A 59 -19.909 -4.164 13.352 1.00 43.24 C ATOM 853 CG PRO A 59 -21.276 -3.550 13.256 1.00 43.11 C ATOM 854 CD PRO A 59 -21.450 -2.622 14.435 1.00 31.22 C ATOM 0 HA PRO A 59 -18.769 -4.403 15.218 1.00 51.33 H new ATOM 0 HB2 PRO A 59 -19.306 -3.902 12.483 1.00 43.24 H new ATOM 0 HB3 PRO A 59 -19.975 -5.252 13.378 1.00 43.24 H new ATOM 0 HG2 PRO A 59 -21.384 -3.002 12.320 1.00 43.11 H new ATOM 0 HG3 PRO A 59 -22.044 -4.324 13.263 1.00 43.11 H new ATOM 0 HD2 PRO A 59 -21.341 -1.578 14.143 1.00 31.22 H new ATOM 0 HD3 PRO A 59 -22.438 -2.726 14.884 1.00 31.22 H new ATOM 862 N VAL A 60 -16.989 -3.081 14.046 1.00 51.15 N ATOM 863 CA VAL A 60 -15.868 -2.194 13.818 1.00 65.33 C ATOM 864 C VAL A 60 -15.547 -2.084 12.320 1.00 31.31 C ATOM 865 O VAL A 60 -15.586 -3.073 11.583 1.00 11.34 O ATOM 866 CB VAL A 60 -14.635 -2.625 14.674 1.00 2.31 C ATOM 867 CG1 VAL A 60 -14.087 -3.986 14.263 1.00 15.21 C ATOM 868 CG2 VAL A 60 -13.541 -1.568 14.667 1.00 32.04 C ATOM 0 H VAL A 60 -16.771 -4.074 13.967 1.00 51.15 H new ATOM 0 HA VAL A 60 -16.143 -1.192 14.149 1.00 65.33 H new ATOM 0 HB VAL A 60 -14.995 -2.722 15.698 1.00 2.31 H new ATOM 0 HG11 VAL A 60 -13.231 -4.238 14.889 1.00 15.21 H new ATOM 0 HG12 VAL A 60 -14.862 -4.743 14.386 1.00 15.21 H new ATOM 0 HG13 VAL A 60 -13.775 -3.953 13.219 1.00 15.21 H new ATOM 0 HG21 VAL A 60 -12.702 -1.908 15.274 1.00 32.04 H new ATOM 0 HG22 VAL A 60 -13.204 -1.400 13.644 1.00 32.04 H new ATOM 0 HG23 VAL A 60 -13.932 -0.637 15.077 1.00 32.04 H new ATOM 878 N LEU A 61 -15.317 -0.850 11.878 1.00 41.55 N ATOM 879 CA LEU A 61 -14.917 -0.543 10.507 1.00 42.52 C ATOM 880 C LEU A 61 -13.407 -0.806 10.328 1.00 73.10 C ATOM 881 O LEU A 61 -12.693 -0.915 11.328 1.00 62.33 O ATOM 882 CB LEU A 61 -15.332 0.916 10.091 1.00 34.53 C ATOM 883 CG LEU A 61 -15.154 2.137 11.065 1.00 53.35 C ATOM 884 CD1 LEU A 61 -16.177 2.141 12.196 1.00 64.14 C ATOM 885 CD2 LEU A 61 -13.747 2.256 11.638 1.00 25.41 C ATOM 0 H LEU A 61 -15.404 -0.024 12.470 1.00 41.55 H new ATOM 0 HA LEU A 61 -15.453 -1.208 9.829 1.00 42.52 H new ATOM 0 HB2 LEU A 61 -14.779 1.154 9.182 1.00 34.53 H new ATOM 0 HB3 LEU A 61 -16.387 0.879 9.821 1.00 34.53 H new ATOM 0 HG LEU A 61 -15.329 3.012 10.439 1.00 53.35 H new ATOM 0 HD11 LEU A 61 -16.007 3.006 12.837 1.00 64.14 H new ATOM 0 HD12 LEU A 61 -17.182 2.192 11.777 1.00 64.14 H new ATOM 0 HD13 LEU A 61 -16.074 1.228 12.783 1.00 64.14 H new ATOM 0 HD21 LEU A 61 -13.696 3.120 12.301 1.00 25.41 H new ATOM 0 HD22 LEU A 61 -13.505 1.353 12.199 1.00 25.41 H new ATOM 0 HD23 LEU A 61 -13.032 2.380 10.825 1.00 25.41 H new ATOM 897 N PRO A 62 -12.868 -0.943 9.083 1.00 52.44 N ATOM 898 CA PRO A 62 -11.472 -1.326 8.904 1.00 54.24 C ATOM 899 C PRO A 62 -10.499 -0.176 9.110 1.00 63.10 C ATOM 900 O PRO A 62 -10.890 0.982 9.287 1.00 14.15 O ATOM 901 CB PRO A 62 -11.389 -1.807 7.463 1.00 64.45 C ATOM 902 CG PRO A 62 -12.498 -1.112 6.744 1.00 62.54 C ATOM 903 CD PRO A 62 -13.534 -0.734 7.776 1.00 32.12 C ATOM 0 HA PRO A 62 -11.191 -2.078 9.641 1.00 54.24 H new ATOM 0 HB2 PRO A 62 -10.422 -1.562 7.023 1.00 64.45 H new ATOM 0 HB3 PRO A 62 -11.501 -2.890 7.404 1.00 64.45 H new ATOM 0 HG2 PRO A 62 -12.127 -0.226 6.230 1.00 62.54 H new ATOM 0 HG3 PRO A 62 -12.931 -1.763 5.985 1.00 62.54 H new ATOM 0 HD2 PRO A 62 -13.851 0.302 7.656 1.00 32.12 H new ATOM 0 HD3 PRO A 62 -14.426 -1.353 7.684 1.00 32.12 H new ATOM 911 N THR A 63 -9.230 -0.516 9.076 1.00 32.35 N ATOM 912 CA THR A 63 -8.163 0.430 9.258 1.00 71.44 C ATOM 913 C THR A 63 -7.017 0.037 8.329 1.00 70.24 C ATOM 914 O THR A 63 -6.361 -0.985 8.542 1.00 51.42 O ATOM 915 CB THR A 63 -7.700 0.449 10.738 1.00 24.40 C ATOM 916 OG1 THR A 63 -8.805 0.765 11.604 1.00 13.02 O ATOM 917 CG2 THR A 63 -6.598 1.463 10.946 1.00 13.01 C ATOM 0 H THR A 63 -8.910 -1.472 8.919 1.00 32.35 H new ATOM 0 HA THR A 63 -8.505 1.436 9.014 1.00 71.44 H new ATOM 0 HB THR A 63 -7.319 -0.543 10.981 1.00 24.40 H new ATOM 0 HG1 THR A 63 -8.499 0.772 12.535 1.00 13.02 H new ATOM 0 HG21 THR A 63 -6.291 1.457 11.992 1.00 13.01 H new ATOM 0 HG22 THR A 63 -5.746 1.209 10.316 1.00 13.01 H new ATOM 0 HG23 THR A 63 -6.962 2.456 10.680 1.00 13.01 H new ATOM 925 N ALA A 64 -6.829 0.824 7.272 1.00 51.20 N ATOM 926 CA ALA A 64 -5.794 0.554 6.293 1.00 3.55 C ATOM 927 C ALA A 64 -4.442 1.019 6.806 1.00 72.11 C ATOM 928 O ALA A 64 -4.182 2.219 6.931 1.00 1.32 O ATOM 929 CB ALA A 64 -6.119 1.216 4.969 1.00 61.11 C ATOM 0 H ALA A 64 -7.386 1.656 7.077 1.00 51.20 H new ATOM 0 HA ALA A 64 -5.750 -0.523 6.132 1.00 3.55 H new ATOM 0 HB1 ALA A 64 -5.329 1.000 4.250 1.00 61.11 H new ATOM 0 HB2 ALA A 64 -7.067 0.831 4.593 1.00 61.11 H new ATOM 0 HB3 ALA A 64 -6.196 2.294 5.110 1.00 61.11 H new ATOM 935 N ARG A 65 -3.603 0.051 7.126 1.00 21.35 N ATOM 936 CA ARG A 65 -2.296 0.302 7.700 1.00 73.12 C ATOM 937 C ARG A 65 -1.280 -0.615 7.055 1.00 1.24 C ATOM 938 O ARG A 65 -1.526 -1.800 6.916 1.00 15.34 O ATOM 939 CB ARG A 65 -2.306 0.067 9.220 1.00 34.01 C ATOM 940 CG ARG A 65 -2.973 1.165 10.048 1.00 3.13 C ATOM 941 CD ARG A 65 -2.353 2.537 9.797 1.00 64.24 C ATOM 942 NE ARG A 65 -0.894 2.541 9.983 1.00 64.43 N ATOM 943 CZ ARG A 65 -0.086 3.547 9.621 1.00 65.53 C ATOM 944 NH1 ARG A 65 -0.594 4.665 9.101 1.00 1.32 N ATOM 945 NH2 ARG A 65 1.226 3.429 9.772 1.00 41.01 N ATOM 0 H ARG A 65 -3.812 -0.939 6.993 1.00 21.35 H new ATOM 0 HA ARG A 65 -2.032 1.343 7.515 1.00 73.12 H new ATOM 0 HB2 ARG A 65 -2.814 -0.876 9.422 1.00 34.01 H new ATOM 0 HB3 ARG A 65 -1.277 -0.046 9.560 1.00 34.01 H new ATOM 0 HG2 ARG A 65 -4.036 1.200 9.811 1.00 3.13 H new ATOM 0 HG3 ARG A 65 -2.890 0.920 11.107 1.00 3.13 H new ATOM 0 HD2 ARG A 65 -2.587 2.857 8.782 1.00 64.24 H new ATOM 0 HD3 ARG A 65 -2.804 3.264 10.472 1.00 64.24 H new ATOM 0 HE ARG A 65 -0.468 1.722 10.417 1.00 64.43 H new ATOM 0 HH11 ARG A 65 -1.602 4.758 8.977 1.00 1.32 H new ATOM 0 HH12 ARG A 65 0.026 5.428 8.827 1.00 1.32 H new ATOM 0 HH21 ARG A 65 1.619 2.573 10.163 1.00 41.01 H new ATOM 0 HH22 ARG A 65 1.842 4.194 9.497 1.00 41.01 H new ATOM 959 N PHE A 66 -0.161 -0.053 6.642 1.00 54.12 N ATOM 960 CA PHE A 66 0.940 -0.822 6.072 1.00 11.42 C ATOM 961 C PHE A 66 2.223 -0.016 6.203 1.00 72.44 C ATOM 962 O PHE A 66 2.169 1.190 6.466 1.00 10.12 O ATOM 963 CB PHE A 66 0.681 -1.209 4.588 1.00 43.33 C ATOM 964 CG PHE A 66 0.594 -0.067 3.602 1.00 21.55 C ATOM 965 CD1 PHE A 66 -0.526 0.745 3.548 1.00 0.24 C ATOM 966 CD2 PHE A 66 1.630 0.176 2.715 1.00 3.31 C ATOM 967 CE1 PHE A 66 -0.607 1.776 2.640 1.00 61.24 C ATOM 968 CE2 PHE A 66 1.549 1.206 1.801 1.00 54.02 C ATOM 969 CZ PHE A 66 0.427 2.006 1.765 1.00 44.14 C ATOM 0 H PHE A 66 0.016 0.950 6.690 1.00 54.12 H new ATOM 0 HA PHE A 66 1.030 -1.757 6.624 1.00 11.42 H new ATOM 0 HB2 PHE A 66 1.478 -1.879 4.265 1.00 43.33 H new ATOM 0 HB3 PHE A 66 -0.250 -1.774 4.540 1.00 43.33 H new ATOM 0 HD1 PHE A 66 -1.347 0.567 4.227 1.00 0.24 H new ATOM 0 HD2 PHE A 66 2.511 -0.448 2.739 1.00 3.31 H new ATOM 0 HE1 PHE A 66 -1.485 2.405 2.615 1.00 61.24 H new ATOM 0 HE2 PHE A 66 2.363 1.385 1.115 1.00 54.02 H new ATOM 0 HZ PHE A 66 0.361 2.813 1.050 1.00 44.14 H new ATOM 979 N THR A 67 3.373 -0.661 6.042 1.00 30.12 N ATOM 980 CA THR A 67 4.623 0.075 6.020 1.00 24.02 C ATOM 981 C THR A 67 5.591 -0.502 4.990 1.00 21.31 C ATOM 982 O THR A 67 5.636 -1.716 4.741 1.00 22.44 O ATOM 983 CB THR A 67 5.290 0.192 7.429 1.00 60.42 C ATOM 984 OG1 THR A 67 6.326 1.182 7.404 1.00 61.31 O ATOM 985 CG2 THR A 67 5.889 -1.120 7.927 1.00 51.33 C ATOM 0 H THR A 67 3.462 -1.671 5.927 1.00 30.12 H new ATOM 0 HA THR A 67 4.373 1.092 5.717 1.00 24.02 H new ATOM 0 HB THR A 67 4.492 0.475 8.115 1.00 60.42 H new ATOM 0 HG1 THR A 67 6.993 0.940 6.728 1.00 61.31 H new ATOM 0 HG21 THR A 67 6.335 -0.967 8.910 1.00 51.33 H new ATOM 0 HG22 THR A 67 5.105 -1.874 7.998 1.00 51.33 H new ATOM 0 HG23 THR A 67 6.655 -1.458 7.230 1.00 51.33 H new ATOM 993 N SER A 68 6.292 0.410 4.352 1.00 3.13 N ATOM 994 CA SER A 68 7.435 0.100 3.526 1.00 50.22 C ATOM 995 C SER A 68 8.684 0.358 4.366 1.00 11.35 C ATOM 996 O SER A 68 8.615 1.085 5.363 1.00 5.20 O ATOM 997 CB SER A 68 7.407 0.988 2.271 1.00 52.45 C ATOM 998 OG SER A 68 8.496 0.736 1.402 1.00 15.14 O ATOM 0 H SER A 68 6.078 1.406 4.395 1.00 3.13 H new ATOM 0 HA SER A 68 7.426 -0.939 3.195 1.00 50.22 H new ATOM 0 HB2 SER A 68 6.473 0.823 1.734 1.00 52.45 H new ATOM 0 HB3 SER A 68 7.421 2.036 2.571 1.00 52.45 H new ATOM 0 HG SER A 68 9.061 1.535 1.346 1.00 15.14 H new ATOM 1004 N ASP A 69 9.806 -0.248 3.994 1.00 63.52 N ATOM 1005 CA ASP A 69 11.060 -0.046 4.725 1.00 64.43 C ATOM 1006 C ASP A 69 11.672 1.322 4.426 1.00 21.15 C ATOM 1007 O ASP A 69 12.386 1.883 5.265 1.00 61.45 O ATOM 1008 CB ASP A 69 12.061 -1.160 4.408 1.00 32.53 C ATOM 1009 CG ASP A 69 11.614 -2.505 4.939 1.00 62.21 C ATOM 1010 OD1 ASP A 69 11.559 -2.679 6.178 1.00 64.21 O ATOM 1011 OD2 ASP A 69 11.326 -3.399 4.116 1.00 73.23 O ATOM 0 H ASP A 69 9.877 -0.880 3.196 1.00 63.52 H new ATOM 0 HA ASP A 69 10.826 -0.081 5.789 1.00 64.43 H new ATOM 0 HB2 ASP A 69 12.198 -1.226 3.329 1.00 32.53 H new ATOM 0 HB3 ASP A 69 13.030 -0.907 4.837 1.00 32.53 H new ATOM 1016 N ILE A 70 11.379 1.859 3.240 1.00 14.12 N ATOM 1017 CA ILE A 70 11.813 3.207 2.870 1.00 51.25 C ATOM 1018 C ILE A 70 10.649 4.054 2.366 1.00 63.31 C ATOM 1019 O ILE A 70 9.709 3.546 1.754 1.00 71.51 O ATOM 1020 CB ILE A 70 12.980 3.223 1.825 1.00 31.51 C ATOM 1021 CG1 ILE A 70 12.788 2.181 0.708 1.00 35.21 C ATOM 1022 CG2 ILE A 70 14.322 3.021 2.512 1.00 41.11 C ATOM 1023 CD1 ILE A 70 12.118 2.721 -0.542 1.00 53.31 C ATOM 0 H ILE A 70 10.842 1.379 2.518 1.00 14.12 H new ATOM 0 HA ILE A 70 12.201 3.646 3.789 1.00 51.25 H new ATOM 0 HB ILE A 70 12.965 4.206 1.354 1.00 31.51 H new ATOM 0 HG12 ILE A 70 13.762 1.773 0.437 1.00 35.21 H new ATOM 0 HG13 ILE A 70 12.193 1.354 1.097 1.00 35.21 H new ATOM 0 HG21 ILE A 70 15.118 3.036 1.767 1.00 41.11 H new ATOM 0 HG22 ILE A 70 14.485 3.821 3.234 1.00 41.11 H new ATOM 0 HG23 ILE A 70 14.326 2.061 3.028 1.00 41.11 H new ATOM 0 HD11 ILE A 70 12.022 1.922 -1.277 1.00 53.31 H new ATOM 0 HD12 ILE A 70 11.129 3.102 -0.289 1.00 53.31 H new ATOM 0 HD13 ILE A 70 12.722 3.527 -0.959 1.00 53.31 H new ATOM 1035 N THR A 71 10.717 5.346 2.655 1.00 63.32 N ATOM 1036 CA THR A 71 9.767 6.315 2.116 1.00 15.15 C ATOM 1037 C THR A 71 10.460 7.208 1.096 1.00 12.32 C ATOM 1038 O THR A 71 9.813 7.818 0.247 1.00 23.21 O ATOM 1039 CB THR A 71 9.145 7.198 3.218 1.00 23.32 C ATOM 1040 OG1 THR A 71 10.163 7.670 4.115 1.00 52.10 O ATOM 1041 CG2 THR A 71 8.075 6.448 3.995 1.00 14.13 C ATOM 0 H THR A 71 11.426 5.752 3.265 1.00 63.32 H new ATOM 0 HA THR A 71 8.964 5.749 1.644 1.00 15.15 H new ATOM 0 HB THR A 71 8.673 8.051 2.730 1.00 23.32 H new ATOM 0 HG1 THR A 71 9.755 8.230 4.808 1.00 52.10 H new ATOM 0 HG21 THR A 71 7.659 7.100 4.763 1.00 14.13 H new ATOM 0 HG22 THR A 71 7.282 6.136 3.315 1.00 14.13 H new ATOM 0 HG23 THR A 71 8.516 5.569 4.465 1.00 14.13 H new ATOM 1049 N GLU A 72 11.785 7.256 1.193 1.00 10.51 N ATOM 1050 CA GLU A 72 12.622 8.091 0.354 1.00 55.31 C ATOM 1051 C GLU A 72 13.995 7.429 0.215 1.00 55.52 C ATOM 1052 O GLU A 72 14.440 6.708 1.114 1.00 72.43 O ATOM 1053 CB GLU A 72 12.759 9.495 0.974 1.00 62.43 C ATOM 1054 CG GLU A 72 13.420 10.520 0.052 1.00 5.02 C ATOM 1055 CD GLU A 72 13.769 11.817 0.753 1.00 73.31 C ATOM 1056 OE1 GLU A 72 14.849 11.883 1.376 1.00 13.13 O ATOM 1057 OE2 GLU A 72 12.983 12.783 0.665 1.00 1.25 O ATOM 0 H GLU A 72 12.311 6.704 1.870 1.00 10.51 H new ATOM 0 HA GLU A 72 12.170 8.199 -0.632 1.00 55.31 H new ATOM 0 HB2 GLU A 72 11.769 9.857 1.252 1.00 62.43 H new ATOM 0 HB3 GLU A 72 13.340 9.420 1.893 1.00 62.43 H new ATOM 0 HG2 GLU A 72 14.327 10.087 -0.370 1.00 5.02 H new ATOM 0 HG3 GLU A 72 12.751 10.734 -0.782 1.00 5.02 H new ATOM 1064 N GLY A 73 14.643 7.657 -0.914 1.00 4.22 N ATOM 1065 CA GLY A 73 15.955 7.103 -1.160 1.00 60.52 C ATOM 1066 C GLY A 73 16.103 6.708 -2.604 1.00 3.14 C ATOM 1067 O GLY A 73 15.224 7.001 -3.413 1.00 25.53 O ATOM 0 H GLY A 73 14.276 8.226 -1.677 1.00 4.22 H new ATOM 0 HA2 GLY A 73 16.719 7.835 -0.898 1.00 60.52 H new ATOM 0 HA3 GLY A 73 16.114 6.234 -0.522 1.00 60.52 H new ATOM 1071 N PHE A 74 17.196 6.047 -2.938 1.00 43.21 N ATOM 1072 CA PHE A 74 17.411 5.576 -4.296 1.00 71.23 C ATOM 1073 C PHE A 74 16.773 4.189 -4.446 1.00 1.43 C ATOM 1074 O PHE A 74 16.716 3.444 -3.470 1.00 72.04 O ATOM 1075 CB PHE A 74 18.919 5.559 -4.648 1.00 52.50 C ATOM 1076 CG PHE A 74 19.810 4.731 -3.745 1.00 11.32 C ATOM 1077 CD1 PHE A 74 20.056 3.391 -4.021 1.00 13.32 C ATOM 1078 CD2 PHE A 74 20.421 5.299 -2.637 1.00 54.35 C ATOM 1079 CE1 PHE A 74 20.883 2.640 -3.213 1.00 35.34 C ATOM 1080 CE2 PHE A 74 21.252 4.551 -1.826 1.00 22.40 C ATOM 1081 CZ PHE A 74 21.482 3.221 -2.114 1.00 12.14 C ATOM 0 H PHE A 74 17.950 5.823 -2.288 1.00 43.21 H new ATOM 0 HA PHE A 74 16.937 6.259 -5.001 1.00 71.23 H new ATOM 0 HB2 PHE A 74 19.028 5.190 -5.668 1.00 52.50 H new ATOM 0 HB3 PHE A 74 19.284 6.586 -4.640 1.00 52.50 H new ATOM 0 HD1 PHE A 74 19.592 2.931 -4.881 1.00 13.32 H new ATOM 0 HD2 PHE A 74 20.245 6.339 -2.405 1.00 54.35 H new ATOM 0 HE1 PHE A 74 21.062 1.599 -3.440 1.00 35.34 H new ATOM 0 HE2 PHE A 74 21.722 5.007 -0.967 1.00 22.40 H new ATOM 0 HZ PHE A 74 22.131 2.635 -1.479 1.00 12.14 H new ATOM 1091 N ALA A 75 16.248 3.875 -5.638 1.00 62.24 N ATOM 1092 CA ALA A 75 15.582 2.580 -5.892 1.00 32.12 C ATOM 1093 C ALA A 75 16.591 1.431 -6.055 1.00 72.43 C ATOM 1094 O ALA A 75 17.276 1.332 -7.077 1.00 12.35 O ATOM 1095 CB ALA A 75 14.697 2.676 -7.126 1.00 62.44 C ATOM 0 H ALA A 75 16.269 4.498 -6.446 1.00 62.24 H new ATOM 0 HA ALA A 75 14.968 2.355 -5.020 1.00 32.12 H new ATOM 0 HB1 ALA A 75 14.212 1.716 -7.302 1.00 62.44 H new ATOM 0 HB2 ALA A 75 13.938 3.442 -6.970 1.00 62.44 H new ATOM 0 HB3 ALA A 75 15.306 2.939 -7.991 1.00 62.44 H new ATOM 1101 N PRO A 76 16.699 0.538 -5.040 1.00 40.04 N ATOM 1102 CA PRO A 76 17.720 -0.506 -5.008 1.00 24.05 C ATOM 1103 C PRO A 76 17.255 -1.920 -5.430 1.00 22.04 C ATOM 1104 O PRO A 76 18.087 -2.740 -5.836 1.00 73.31 O ATOM 1105 CB PRO A 76 18.103 -0.492 -3.528 1.00 75.24 C ATOM 1106 CG PRO A 76 16.883 -0.009 -2.779 1.00 32.24 C ATOM 1107 CD PRO A 76 15.896 0.504 -3.801 1.00 44.32 C ATOM 0 HA PRO A 76 18.517 -0.304 -5.724 1.00 24.05 H new ATOM 0 HB2 PRO A 76 18.396 -1.487 -3.193 1.00 75.24 H new ATOM 0 HB3 PRO A 76 18.953 0.167 -3.353 1.00 75.24 H new ATOM 0 HG2 PRO A 76 16.445 -0.819 -2.196 1.00 32.24 H new ATOM 0 HG3 PRO A 76 17.152 0.780 -2.076 1.00 32.24 H new ATOM 0 HD2 PRO A 76 15.033 -0.155 -3.896 1.00 44.32 H new ATOM 0 HD3 PRO A 76 15.516 1.491 -3.537 1.00 44.32 H new ATOM 1115 N LEU A 77 15.937 -2.165 -5.413 1.00 34.41 N ATOM 1116 CA LEU A 77 15.368 -3.519 -5.440 1.00 70.43 C ATOM 1117 C LEU A 77 13.849 -3.435 -5.295 1.00 32.22 C ATOM 1118 O LEU A 77 13.302 -2.356 -5.057 1.00 14.10 O ATOM 1119 CB LEU A 77 15.923 -4.363 -4.267 1.00 5.04 C ATOM 1120 CG LEU A 77 15.861 -5.886 -4.438 1.00 71.31 C ATOM 1121 CD1 LEU A 77 17.228 -6.444 -4.795 1.00 72.23 C ATOM 1122 CD2 LEU A 77 15.317 -6.548 -3.179 1.00 1.41 C ATOM 0 H LEU A 77 15.234 -1.427 -5.380 1.00 34.41 H new ATOM 0 HA LEU A 77 15.638 -3.988 -6.386 1.00 70.43 H new ATOM 0 HB2 LEU A 77 16.962 -4.079 -4.103 1.00 5.04 H new ATOM 0 HB3 LEU A 77 15.373 -4.097 -3.364 1.00 5.04 H new ATOM 0 HG LEU A 77 15.180 -6.109 -5.259 1.00 71.31 H new ATOM 0 HD11 LEU A 77 17.160 -7.526 -4.911 1.00 72.23 H new ATOM 0 HD12 LEU A 77 17.570 -5.999 -5.730 1.00 72.23 H new ATOM 0 HD13 LEU A 77 17.936 -6.208 -4.001 1.00 72.23 H new ATOM 0 HD21 LEU A 77 15.281 -7.628 -3.322 1.00 1.41 H new ATOM 0 HD22 LEU A 77 15.967 -6.315 -2.336 1.00 1.41 H new ATOM 0 HD23 LEU A 77 14.313 -6.176 -2.977 1.00 1.41 H new ATOM 1134 N SER A 78 13.179 -4.570 -5.463 1.00 32.20 N ATOM 1135 CA SER A 78 11.781 -4.734 -5.090 1.00 62.34 C ATOM 1136 C SER A 78 11.619 -4.663 -3.567 1.00 12.21 C ATOM 1137 O SER A 78 11.956 -5.610 -2.850 1.00 33.40 O ATOM 1138 CB SER A 78 11.282 -6.082 -5.591 1.00 74.32 C ATOM 1139 OG SER A 78 11.561 -6.246 -6.967 1.00 51.33 O ATOM 0 H SER A 78 13.596 -5.409 -5.866 1.00 32.20 H new ATOM 0 HA SER A 78 11.199 -3.931 -5.541 1.00 62.34 H new ATOM 0 HB2 SER A 78 11.755 -6.883 -5.022 1.00 74.32 H new ATOM 0 HB3 SER A 78 10.208 -6.162 -5.422 1.00 74.32 H new ATOM 0 HG SER A 78 11.233 -7.120 -7.265 1.00 51.33 H new ATOM 1145 N VAL A 79 11.161 -3.511 -3.085 1.00 45.22 N ATOM 1146 CA VAL A 79 10.929 -3.292 -1.657 1.00 0.03 C ATOM 1147 C VAL A 79 9.667 -4.037 -1.212 1.00 32.12 C ATOM 1148 O VAL A 79 8.617 -3.931 -1.849 1.00 71.10 O ATOM 1149 CB VAL A 79 10.818 -1.772 -1.331 1.00 43.43 C ATOM 1150 CG1 VAL A 79 10.680 -1.518 0.167 1.00 30.44 C ATOM 1151 CG2 VAL A 79 12.030 -1.023 -1.880 1.00 14.13 C ATOM 0 H VAL A 79 10.940 -2.705 -3.669 1.00 45.22 H new ATOM 0 HA VAL A 79 11.783 -3.685 -1.105 1.00 0.03 H new ATOM 0 HB VAL A 79 9.914 -1.400 -1.813 1.00 43.43 H new ATOM 0 HG11 VAL A 79 10.606 -0.446 0.349 1.00 30.44 H new ATOM 0 HG12 VAL A 79 9.782 -2.012 0.539 1.00 30.44 H new ATOM 0 HG13 VAL A 79 11.553 -1.914 0.685 1.00 30.44 H new ATOM 0 HG21 VAL A 79 11.939 0.038 -1.645 1.00 14.13 H new ATOM 0 HG22 VAL A 79 12.939 -1.419 -1.426 1.00 14.13 H new ATOM 0 HG23 VAL A 79 12.079 -1.152 -2.961 1.00 14.13 H new ATOM 1161 N ARG A 80 9.809 -4.821 -0.141 1.00 44.52 N ATOM 1162 CA ARG A 80 8.721 -5.654 0.384 1.00 11.41 C ATOM 1163 C ARG A 80 7.627 -4.815 1.042 1.00 20.10 C ATOM 1164 O ARG A 80 7.901 -3.857 1.779 1.00 64.34 O ATOM 1165 CB ARG A 80 9.262 -6.689 1.391 1.00 14.50 C ATOM 1166 CG ARG A 80 10.212 -6.102 2.427 1.00 23.34 C ATOM 1167 CD ARG A 80 10.495 -7.055 3.570 1.00 21.41 C ATOM 1168 NE ARG A 80 9.337 -7.216 4.457 1.00 24.32 N ATOM 1169 CZ ARG A 80 9.213 -6.620 5.651 1.00 0.12 C ATOM 1170 NH1 ARG A 80 10.152 -5.783 6.099 1.00 4.33 N ATOM 1171 NH2 ARG A 80 8.127 -6.842 6.382 1.00 43.24 N ATOM 0 H ARG A 80 10.679 -4.897 0.387 1.00 44.52 H new ATOM 0 HA ARG A 80 8.281 -6.176 -0.466 1.00 11.41 H new ATOM 0 HB2 ARG A 80 8.422 -7.155 1.905 1.00 14.50 H new ATOM 0 HB3 ARG A 80 9.778 -7.478 0.844 1.00 14.50 H new ATOM 0 HG2 ARG A 80 11.151 -5.834 1.942 1.00 23.34 H new ATOM 0 HG3 ARG A 80 9.785 -5.181 2.825 1.00 23.34 H new ATOM 0 HD2 ARG A 80 10.781 -8.027 3.168 1.00 21.41 H new ATOM 0 HD3 ARG A 80 11.344 -6.687 4.146 1.00 21.41 H new ATOM 0 HE ARG A 80 8.577 -7.821 4.145 1.00 24.32 H new ATOM 0 HH11 ARG A 80 10.977 -5.590 5.530 1.00 4.33 H new ATOM 0 HH12 ARG A 80 10.045 -5.336 7.010 1.00 4.33 H new ATOM 0 HH21 ARG A 80 7.396 -7.462 6.034 1.00 43.24 H new ATOM 0 HH22 ARG A 80 8.024 -6.393 7.292 1.00 43.24 H new ATOM 1185 N PHE A 81 6.386 -5.175 0.749 1.00 32.22 N ATOM 1186 CA PHE A 81 5.238 -4.500 1.327 1.00 72.02 C ATOM 1187 C PHE A 81 4.547 -5.443 2.291 1.00 22.22 C ATOM 1188 O PHE A 81 4.137 -6.540 1.903 1.00 42.44 O ATOM 1189 CB PHE A 81 4.241 -4.074 0.233 1.00 43.32 C ATOM 1190 CG PHE A 81 4.858 -3.341 -0.927 1.00 52.02 C ATOM 1191 CD1 PHE A 81 5.470 -2.113 -0.750 1.00 22.23 C ATOM 1192 CD2 PHE A 81 4.828 -3.895 -2.201 1.00 75.52 C ATOM 1193 CE1 PHE A 81 6.039 -1.448 -1.815 1.00 52.21 C ATOM 1194 CE2 PHE A 81 5.396 -3.233 -3.271 1.00 12.33 C ATOM 1195 CZ PHE A 81 6.002 -2.009 -3.078 1.00 44.11 C ATOM 0 H PHE A 81 6.150 -5.935 0.111 1.00 32.22 H new ATOM 0 HA PHE A 81 5.583 -3.606 1.848 1.00 72.02 H new ATOM 0 HB2 PHE A 81 3.734 -4.962 -0.144 1.00 43.32 H new ATOM 0 HB3 PHE A 81 3.478 -3.439 0.683 1.00 43.32 H new ATOM 0 HD1 PHE A 81 5.502 -1.670 0.234 1.00 22.23 H new ATOM 0 HD2 PHE A 81 4.355 -4.854 -2.356 1.00 75.52 H new ATOM 0 HE1 PHE A 81 6.513 -0.490 -1.663 1.00 52.21 H new ATOM 0 HE2 PHE A 81 5.366 -3.672 -4.257 1.00 12.33 H new ATOM 0 HZ PHE A 81 6.447 -1.489 -3.913 1.00 44.11 H new ATOM 1205 N LYS A 82 4.416 -5.030 3.544 1.00 73.52 N ATOM 1206 CA LYS A 82 3.690 -5.831 4.511 1.00 2.24 C ATOM 1207 C LYS A 82 2.450 -5.088 4.957 1.00 72.45 C ATOM 1208 O LYS A 82 2.518 -3.918 5.352 1.00 45.43 O ATOM 1209 CB LYS A 82 4.553 -6.218 5.719 1.00 62.44 C ATOM 1210 CG LYS A 82 3.880 -7.257 6.608 1.00 62.33 C ATOM 1211 CD LYS A 82 4.782 -7.739 7.730 1.00 71.32 C ATOM 1212 CE LYS A 82 4.074 -8.780 8.584 1.00 13.13 C ATOM 1213 NZ LYS A 82 4.918 -9.270 9.706 1.00 44.35 N ATOM 0 H LYS A 82 4.798 -4.157 3.908 1.00 73.52 H new ATOM 0 HA LYS A 82 3.404 -6.762 4.022 1.00 2.24 H new ATOM 0 HB2 LYS A 82 5.509 -6.608 5.369 1.00 62.44 H new ATOM 0 HB3 LYS A 82 4.769 -5.326 6.307 1.00 62.44 H new ATOM 0 HG2 LYS A 82 2.972 -6.831 7.035 1.00 62.33 H new ATOM 0 HG3 LYS A 82 3.577 -8.109 5.999 1.00 62.33 H new ATOM 0 HD2 LYS A 82 5.694 -8.165 7.312 1.00 71.32 H new ATOM 0 HD3 LYS A 82 5.080 -6.894 8.351 1.00 71.32 H new ATOM 0 HE2 LYS A 82 3.156 -8.352 8.985 1.00 13.13 H new ATOM 0 HE3 LYS A 82 3.785 -9.623 7.957 1.00 13.13 H new ATOM 0 HZ1 LYS A 82 4.389 -9.977 10.256 1.00 44.35 H new ATOM 0 HZ2 LYS A 82 5.783 -9.704 9.326 1.00 44.35 H new ATOM 0 HZ3 LYS A 82 5.173 -8.472 10.322 1.00 44.35 H new ATOM 1227 N ASP A 83 1.324 -5.786 4.896 1.00 64.24 N ATOM 1228 CA ASP A 83 0.039 -5.216 5.235 1.00 74.03 C ATOM 1229 C ASP A 83 -0.286 -5.507 6.699 1.00 2.13 C ATOM 1230 O ASP A 83 -0.249 -6.655 7.143 1.00 73.33 O ATOM 1231 CB ASP A 83 -1.043 -5.783 4.308 1.00 25.41 C ATOM 1232 CG ASP A 83 -2.345 -5.013 4.365 1.00 3.22 C ATOM 1233 OD1 ASP A 83 -2.343 -3.867 4.844 1.00 63.12 O ATOM 1234 OD2 ASP A 83 -3.376 -5.572 3.949 1.00 11.22 O ATOM 0 H ASP A 83 1.282 -6.764 4.609 1.00 64.24 H new ATOM 0 HA ASP A 83 0.073 -4.135 5.100 1.00 74.03 H new ATOM 0 HB2 ASP A 83 -0.672 -5.780 3.283 1.00 25.41 H new ATOM 0 HB3 ASP A 83 -1.232 -6.823 4.575 1.00 25.41 H new ATOM 1239 N PHE A 84 -0.596 -4.454 7.433 1.00 24.31 N ATOM 1240 CA PHE A 84 -0.866 -4.534 8.870 1.00 24.03 C ATOM 1241 C PHE A 84 -2.305 -4.134 9.169 1.00 23.25 C ATOM 1242 O PHE A 84 -2.649 -3.835 10.322 1.00 72.54 O ATOM 1243 CB PHE A 84 0.075 -3.601 9.639 1.00 34.25 C ATOM 1244 CG PHE A 84 1.523 -3.992 9.614 1.00 44.43 C ATOM 1245 CD1 PHE A 84 2.009 -4.931 10.505 1.00 32.33 C ATOM 1246 CD2 PHE A 84 2.395 -3.413 8.712 1.00 14.30 C ATOM 1247 CE1 PHE A 84 3.341 -5.289 10.489 1.00 44.44 C ATOM 1248 CE2 PHE A 84 3.725 -3.769 8.694 1.00 21.01 C ATOM 1249 CZ PHE A 84 4.199 -4.703 9.585 1.00 15.01 C ATOM 0 H PHE A 84 -0.670 -3.510 7.053 1.00 24.31 H new ATOM 0 HA PHE A 84 -0.703 -5.565 9.185 1.00 24.03 H new ATOM 0 HB2 PHE A 84 -0.021 -2.596 9.228 1.00 34.25 H new ATOM 0 HB3 PHE A 84 -0.254 -3.554 10.677 1.00 34.25 H new ATOM 0 HD1 PHE A 84 1.340 -5.388 11.219 1.00 32.33 H new ATOM 0 HD2 PHE A 84 2.030 -2.674 8.014 1.00 14.30 H new ATOM 0 HE1 PHE A 84 3.711 -6.028 11.185 1.00 44.44 H new ATOM 0 HE2 PHE A 84 4.396 -3.315 7.980 1.00 21.01 H new ATOM 0 HZ PHE A 84 5.244 -4.977 9.576 1.00 15.01 H new ATOM 1259 N SER A 85 -3.124 -4.102 8.118 1.00 22.44 N ATOM 1260 CA SER A 85 -4.511 -3.674 8.207 1.00 30.41 C ATOM 1261 C SER A 85 -5.331 -4.524 9.166 1.00 14.23 C ATOM 1262 O SER A 85 -5.346 -5.759 9.090 1.00 51.22 O ATOM 1263 CB SER A 85 -5.147 -3.672 6.837 1.00 23.24 C ATOM 1264 OG SER A 85 -4.590 -2.645 6.049 1.00 64.31 O ATOM 0 H SER A 85 -2.838 -4.375 7.178 1.00 22.44 H new ATOM 0 HA SER A 85 -4.503 -2.661 8.609 1.00 30.41 H new ATOM 0 HB2 SER A 85 -4.993 -4.637 6.354 1.00 23.24 H new ATOM 0 HB3 SER A 85 -6.224 -3.529 6.927 1.00 23.24 H new ATOM 0 HG SER A 85 -3.793 -2.982 5.588 1.00 64.31 H new ATOM 1270 N GLU A 86 -6.018 -3.829 10.054 1.00 34.11 N ATOM 1271 CA GLU A 86 -6.736 -4.446 11.155 1.00 40.12 C ATOM 1272 C GLU A 86 -8.224 -4.147 11.010 1.00 23.52 C ATOM 1273 O GLU A 86 -8.589 -3.177 10.336 1.00 71.15 O ATOM 1274 CB GLU A 86 -6.196 -3.890 12.474 1.00 53.53 C ATOM 1275 CG GLU A 86 -6.594 -4.688 13.712 1.00 31.22 C ATOM 1276 CD GLU A 86 -6.014 -4.113 14.976 1.00 24.14 C ATOM 1277 OE1 GLU A 86 -4.823 -4.344 15.241 1.00 41.03 O ATOM 1278 OE2 GLU A 86 -6.741 -3.430 15.720 1.00 64.33 O ATOM 0 H GLU A 86 -6.094 -2.812 10.031 1.00 34.11 H new ATOM 0 HA GLU A 86 -6.595 -5.527 11.145 1.00 40.12 H new ATOM 0 HB2 GLU A 86 -5.108 -3.851 12.418 1.00 53.53 H new ATOM 0 HB3 GLU A 86 -6.546 -2.865 12.591 1.00 53.53 H new ATOM 0 HG2 GLU A 86 -7.681 -4.711 13.792 1.00 31.22 H new ATOM 0 HG3 GLU A 86 -6.260 -5.720 13.599 1.00 31.22 H new ATOM 1285 N ASN A 87 -9.066 -5.026 11.602 1.00 24.41 N ATOM 1286 CA ASN A 87 -10.532 -4.841 11.698 1.00 74.23 C ATOM 1287 C ASN A 87 -11.187 -4.910 10.315 1.00 35.05 C ATOM 1288 O ASN A 87 -12.234 -4.318 10.066 1.00 1.13 O ATOM 1289 CB ASN A 87 -10.851 -3.506 12.393 1.00 74.55 C ATOM 1290 CG ASN A 87 -10.324 -3.447 13.818 1.00 2.22 C ATOM 1291 OD1 ASN A 87 -10.387 -4.424 14.566 1.00 24.12 O ATOM 1292 ND2 ASN A 87 -9.744 -2.317 14.178 1.00 75.21 N ATOM 0 H ASN A 87 -8.742 -5.893 12.031 1.00 24.41 H new ATOM 0 HA ASN A 87 -10.945 -5.652 12.298 1.00 74.23 H new ATOM 0 HB2 ASN A 87 -10.419 -2.688 11.816 1.00 74.55 H new ATOM 0 HB3 ASN A 87 -11.930 -3.355 12.402 1.00 74.55 H new ATOM 0 HD21 ASN A 87 -9.327 -2.230 15.105 1.00 75.21 H new ATOM 0 HD22 ASN A 87 -9.713 -1.531 13.529 1.00 75.21 H new ATOM 1299 N ALA A 88 -10.570 -5.688 9.433 1.00 60.42 N ATOM 1300 CA ALA A 88 -10.962 -5.734 8.042 1.00 71.32 C ATOM 1301 C ALA A 88 -11.509 -7.098 7.670 1.00 12.32 C ATOM 1302 O ALA A 88 -11.057 -8.125 8.182 1.00 0.34 O ATOM 1303 CB ALA A 88 -9.772 -5.388 7.159 1.00 13.05 C ATOM 0 H ALA A 88 -9.788 -6.300 9.667 1.00 60.42 H new ATOM 0 HA ALA A 88 -11.754 -5.001 7.886 1.00 71.32 H new ATOM 0 HB1 ALA A 88 -10.073 -5.424 6.112 1.00 13.05 H new ATOM 0 HB2 ALA A 88 -9.419 -4.385 7.401 1.00 13.05 H new ATOM 0 HB3 ALA A 88 -8.970 -6.106 7.331 1.00 13.05 H new ATOM 1309 N THR A 89 -12.490 -7.088 6.783 1.00 53.15 N ATOM 1310 CA THR A 89 -13.045 -8.299 6.205 1.00 75.44 C ATOM 1311 C THR A 89 -12.114 -8.820 5.095 1.00 74.21 C ATOM 1312 O THR A 89 -11.663 -9.968 5.133 1.00 13.33 O ATOM 1313 CB THR A 89 -14.462 -8.015 5.643 1.00 12.53 C ATOM 1314 OG1 THR A 89 -15.330 -7.597 6.707 1.00 55.54 O ATOM 1315 CG2 THR A 89 -15.063 -9.230 4.944 1.00 73.33 C ATOM 0 H THR A 89 -12.927 -6.232 6.441 1.00 53.15 H new ATOM 0 HA THR A 89 -13.127 -9.064 6.977 1.00 75.44 H new ATOM 0 HB THR A 89 -14.364 -7.223 4.901 1.00 12.53 H new ATOM 0 HG1 THR A 89 -16.224 -7.417 6.348 1.00 55.54 H new ATOM 0 HG21 THR A 89 -16.055 -8.980 4.568 1.00 73.33 H new ATOM 0 HG22 THR A 89 -14.423 -9.524 4.112 1.00 73.33 H new ATOM 0 HG23 THR A 89 -15.141 -10.055 5.652 1.00 73.33 H new ATOM 1323 N SER A 90 -11.811 -7.954 4.132 1.00 11.23 N ATOM 1324 CA SER A 90 -10.962 -8.306 3.004 1.00 14.13 C ATOM 1325 C SER A 90 -9.934 -7.208 2.754 1.00 52.03 C ATOM 1326 O SER A 90 -10.068 -6.099 3.271 1.00 15.41 O ATOM 1327 CB SER A 90 -11.828 -8.541 1.758 1.00 73.31 C ATOM 1328 OG SER A 90 -12.680 -7.434 1.501 1.00 64.24 O ATOM 0 H SER A 90 -12.147 -6.991 4.114 1.00 11.23 H new ATOM 0 HA SER A 90 -10.424 -9.226 3.232 1.00 14.13 H new ATOM 0 HB2 SER A 90 -11.186 -8.716 0.895 1.00 73.31 H new ATOM 0 HB3 SER A 90 -12.429 -9.440 1.895 1.00 73.31 H new ATOM 0 HG SER A 90 -13.217 -7.613 0.701 1.00 64.24 H new ATOM 1334 N ARG A 91 -8.897 -7.528 1.981 1.00 45.04 N ATOM 1335 CA ARG A 91 -7.862 -6.556 1.624 1.00 2.04 C ATOM 1336 C ARG A 91 -7.513 -6.658 0.141 1.00 72.45 C ATOM 1337 O ARG A 91 -7.783 -7.681 -0.493 1.00 42.33 O ATOM 1338 CB ARG A 91 -6.616 -6.738 2.506 1.00 1.03 C ATOM 1339 CG ARG A 91 -5.968 -8.110 2.428 1.00 11.32 C ATOM 1340 CD ARG A 91 -5.091 -8.376 3.637 1.00 61.40 C ATOM 1341 NE ARG A 91 -5.877 -8.479 4.880 1.00 32.43 N ATOM 1342 CZ ARG A 91 -5.552 -7.882 6.036 1.00 52.33 C ATOM 1343 NH1 ARG A 91 -4.512 -7.058 6.117 1.00 4.33 N ATOM 1344 NH2 ARG A 91 -6.312 -8.084 7.111 1.00 72.22 N ATOM 0 H ARG A 91 -8.750 -8.458 1.588 1.00 45.04 H new ATOM 0 HA ARG A 91 -8.254 -5.555 1.805 1.00 2.04 H new ATOM 0 HB2 ARG A 91 -5.877 -5.988 2.224 1.00 1.03 H new ATOM 0 HB3 ARG A 91 -6.891 -6.541 3.542 1.00 1.03 H new ATOM 0 HG2 ARG A 91 -6.741 -8.876 2.361 1.00 11.32 H new ATOM 0 HG3 ARG A 91 -5.370 -8.181 1.520 1.00 11.32 H new ATOM 0 HD2 ARG A 91 -4.533 -9.300 3.484 1.00 61.40 H new ATOM 0 HD3 ARG A 91 -4.359 -7.575 3.737 1.00 61.40 H new ATOM 0 HE ARG A 91 -6.727 -9.043 4.859 1.00 32.43 H new ATOM 0 HH11 ARG A 91 -3.945 -6.870 5.290 1.00 4.33 H new ATOM 0 HH12 ARG A 91 -4.281 -6.614 7.006 1.00 4.33 H new ATOM 0 HH21 ARG A 91 -7.132 -8.688 7.050 1.00 72.22 H new ATOM 0 HH22 ARG A 91 -6.074 -7.635 7.995 1.00 72.22 H new ATOM 1358 N LEU A 92 -6.922 -5.593 -0.400 1.00 65.33 N ATOM 1359 CA LEU A 92 -6.673 -5.481 -1.831 1.00 12.41 C ATOM 1360 C LEU A 92 -5.584 -4.435 -2.082 1.00 12.23 C ATOM 1361 O LEU A 92 -5.671 -3.313 -1.593 1.00 61.20 O ATOM 1362 CB LEU A 92 -7.994 -5.082 -2.531 1.00 72.32 C ATOM 1363 CG LEU A 92 -8.140 -5.424 -4.022 1.00 74.25 C ATOM 1364 CD1 LEU A 92 -9.613 -5.482 -4.382 1.00 33.11 C ATOM 1365 CD2 LEU A 92 -7.453 -4.397 -4.905 1.00 22.44 C ATOM 0 H LEU A 92 -6.605 -4.789 0.141 1.00 65.33 H new ATOM 0 HA LEU A 92 -6.328 -6.433 -2.234 1.00 12.41 H new ATOM 0 HB2 LEU A 92 -8.815 -5.558 -1.995 1.00 72.32 H new ATOM 0 HB3 LEU A 92 -8.122 -4.005 -2.419 1.00 72.32 H new ATOM 0 HG LEU A 92 -7.665 -6.390 -4.192 1.00 74.25 H new ATOM 0 HD11 LEU A 92 -9.720 -5.724 -5.439 1.00 33.11 H new ATOM 0 HD12 LEU A 92 -10.104 -6.248 -3.783 1.00 33.11 H new ATOM 0 HD13 LEU A 92 -10.075 -4.515 -4.183 1.00 33.11 H new ATOM 0 HD21 LEU A 92 -7.579 -4.674 -5.952 1.00 22.44 H new ATOM 0 HD22 LEU A 92 -7.896 -3.416 -4.734 1.00 22.44 H new ATOM 0 HD23 LEU A 92 -6.390 -4.363 -4.664 1.00 22.44 H new ATOM 1377 N TRP A 93 -4.560 -4.811 -2.829 1.00 63.13 N ATOM 1378 CA TRP A 93 -3.522 -3.872 -3.245 1.00 31.23 C ATOM 1379 C TRP A 93 -3.847 -3.307 -4.624 1.00 12.12 C ATOM 1380 O TRP A 93 -3.993 -4.051 -5.601 1.00 50.33 O ATOM 1381 CB TRP A 93 -2.147 -4.544 -3.279 1.00 15.32 C ATOM 1382 CG TRP A 93 -1.634 -4.980 -1.936 1.00 35.53 C ATOM 1383 CD1 TRP A 93 -1.784 -6.206 -1.358 1.00 52.50 C ATOM 1384 CD2 TRP A 93 -0.878 -4.192 -1.006 1.00 64.20 C ATOM 1385 NE1 TRP A 93 -1.180 -6.227 -0.127 1.00 11.31 N ATOM 1386 CE2 TRP A 93 -0.613 -5.007 0.111 1.00 4.34 C ATOM 1387 CE3 TRP A 93 -0.402 -2.877 -1.002 1.00 14.10 C ATOM 1388 CZ2 TRP A 93 0.112 -4.554 1.210 1.00 74.24 C ATOM 1389 CZ3 TRP A 93 0.315 -2.431 0.093 1.00 4.34 C ATOM 1390 CH2 TRP A 93 0.563 -3.267 1.186 1.00 71.44 C ATOM 0 H TRP A 93 -4.421 -5.765 -3.163 1.00 63.13 H new ATOM 0 HA TRP A 93 -3.493 -3.063 -2.515 1.00 31.23 H new ATOM 0 HB2 TRP A 93 -2.198 -5.413 -3.934 1.00 15.32 H new ATOM 0 HB3 TRP A 93 -1.429 -3.853 -3.721 1.00 15.32 H new ATOM 0 HD1 TRP A 93 -2.304 -7.040 -1.805 1.00 52.50 H new ATOM 0 HE1 TRP A 93 -1.158 -7.025 0.508 1.00 11.31 H new ATOM 0 HE3 TRP A 93 -0.591 -2.222 -1.839 1.00 14.10 H new ATOM 0 HZ2 TRP A 93 0.310 -5.200 2.053 1.00 74.24 H new ATOM 0 HZ3 TRP A 93 0.690 -1.418 0.104 1.00 4.34 H new ATOM 0 HH2 TRP A 93 1.123 -2.886 2.028 1.00 71.44 H new ATOM 1401 N MET A 94 -3.990 -1.991 -4.692 1.00 64.54 N ATOM 1402 CA MET A 94 -4.212 -1.307 -5.958 1.00 30.53 C ATOM 1403 C MET A 94 -2.914 -0.681 -6.438 1.00 1.30 C ATOM 1404 O MET A 94 -2.533 0.407 -6.007 1.00 2.31 O ATOM 1405 CB MET A 94 -5.311 -0.243 -5.844 1.00 61.24 C ATOM 1406 CG MET A 94 -6.713 -0.816 -5.723 1.00 14.51 C ATOM 1407 SD MET A 94 -7.985 0.462 -5.707 1.00 62.32 S ATOM 1408 CE MET A 94 -9.472 -0.536 -5.609 1.00 13.22 C ATOM 0 H MET A 94 -3.956 -1.373 -3.881 1.00 64.54 H new ATOM 0 HA MET A 94 -4.549 -2.045 -6.686 1.00 30.53 H new ATOM 0 HB2 MET A 94 -5.109 0.383 -4.975 1.00 61.24 H new ATOM 0 HB3 MET A 94 -5.268 0.405 -6.720 1.00 61.24 H new ATOM 0 HG2 MET A 94 -6.897 -1.496 -6.555 1.00 14.51 H new ATOM 0 HG3 MET A 94 -6.783 -1.405 -4.808 1.00 14.51 H new ATOM 0 HE1 MET A 94 -10.210 -0.029 -4.987 1.00 13.22 H new ATOM 0 HE2 MET A 94 -9.879 -0.682 -6.610 1.00 13.22 H new ATOM 0 HE3 MET A 94 -9.232 -1.505 -5.170 1.00 13.22 H new ATOM 1418 N PHE A 95 -2.209 -1.402 -7.298 1.00 75.52 N ATOM 1419 CA PHE A 95 -0.948 -0.918 -7.851 1.00 42.04 C ATOM 1420 C PHE A 95 -1.173 -0.024 -9.068 1.00 34.41 C ATOM 1421 O PHE A 95 -0.325 0.801 -9.401 1.00 33.12 O ATOM 1422 CB PHE A 95 -0.051 -2.094 -8.254 1.00 1.13 C ATOM 1423 CG PHE A 95 0.387 -2.979 -7.117 1.00 1.11 C ATOM 1424 CD1 PHE A 95 1.213 -2.493 -6.113 1.00 25.33 C ATOM 1425 CD2 PHE A 95 -0.009 -4.305 -7.067 1.00 74.13 C ATOM 1426 CE1 PHE A 95 1.625 -3.313 -5.077 1.00 14.33 C ATOM 1427 CE2 PHE A 95 0.401 -5.128 -6.037 1.00 24.22 C ATOM 1428 CZ PHE A 95 1.221 -4.633 -5.042 1.00 0.22 C ATOM 0 H PHE A 95 -2.488 -2.326 -7.630 1.00 75.52 H new ATOM 0 HA PHE A 95 -0.461 -0.331 -7.072 1.00 42.04 H new ATOM 0 HB2 PHE A 95 -0.583 -2.703 -8.985 1.00 1.13 H new ATOM 0 HB3 PHE A 95 0.836 -1.701 -8.751 1.00 1.13 H new ATOM 0 HD1 PHE A 95 1.538 -1.463 -6.141 1.00 25.33 H new ATOM 0 HD2 PHE A 95 -0.647 -4.700 -7.844 1.00 74.13 H new ATOM 0 HE1 PHE A 95 2.261 -2.921 -4.297 1.00 14.33 H new ATOM 0 HE2 PHE A 95 0.080 -6.159 -6.009 1.00 24.22 H new ATOM 0 HZ PHE A 95 1.546 -5.277 -4.238 1.00 0.22 H new ATOM 1438 N GLY A 96 -2.315 -0.213 -9.738 1.00 33.03 N ATOM 1439 CA GLY A 96 -2.600 0.498 -10.982 1.00 71.03 C ATOM 1440 C GLY A 96 -1.944 -0.152 -12.190 1.00 20.12 C ATOM 1441 O GLY A 96 -2.031 0.358 -13.306 1.00 40.21 O ATOM 0 H GLY A 96 -3.053 -0.851 -9.438 1.00 33.03 H new ATOM 0 HA2 GLY A 96 -3.678 0.536 -11.135 1.00 71.03 H new ATOM 0 HA3 GLY A 96 -2.254 1.528 -10.895 1.00 71.03 H new ATOM 1445 N ASP A 97 -1.306 -1.290 -11.953 1.00 35.35 N ATOM 1446 CA ASP A 97 -0.521 -1.981 -12.959 1.00 23.13 C ATOM 1447 C ASP A 97 -0.948 -3.432 -13.069 1.00 2.34 C ATOM 1448 O ASP A 97 -0.679 -4.230 -12.166 1.00 55.52 O ATOM 1449 CB ASP A 97 0.976 -1.903 -12.619 1.00 31.34 C ATOM 1450 CG ASP A 97 1.658 -0.675 -13.189 1.00 41.12 C ATOM 1451 OD1 ASP A 97 1.626 0.386 -12.540 1.00 52.50 O ATOM 1452 OD2 ASP A 97 2.237 -0.776 -14.288 1.00 4.33 O ATOM 0 H ASP A 97 -1.321 -1.761 -11.048 1.00 35.35 H new ATOM 0 HA ASP A 97 -0.693 -1.492 -13.918 1.00 23.13 H new ATOM 0 HB2 ASP A 97 1.096 -1.906 -11.536 1.00 31.34 H new ATOM 0 HB3 ASP A 97 1.474 -2.795 -12.998 1.00 31.34 H new ATOM 1457 N GLY A 98 -1.635 -3.756 -14.163 1.00 11.14 N ATOM 1458 CA GLY A 98 -2.040 -5.127 -14.416 1.00 51.20 C ATOM 1459 C GLY A 98 -3.249 -5.533 -13.598 1.00 51.41 C ATOM 1460 O GLY A 98 -4.261 -4.829 -13.585 1.00 52.33 O ATOM 0 H GLY A 98 -1.919 -3.089 -14.881 1.00 11.14 H new ATOM 0 HA2 GLY A 98 -2.265 -5.247 -15.476 1.00 51.20 H new ATOM 0 HA3 GLY A 98 -1.210 -5.796 -14.189 1.00 51.20 H new ATOM 1464 N ASN A 99 -3.135 -6.669 -12.919 1.00 40.10 N ATOM 1465 CA ASN A 99 -4.214 -7.178 -12.077 1.00 2.05 C ATOM 1466 C ASN A 99 -4.219 -6.513 -10.712 1.00 53.54 C ATOM 1467 O ASN A 99 -3.173 -6.358 -10.076 1.00 23.22 O ATOM 1468 CB ASN A 99 -4.083 -8.685 -11.839 1.00 32.53 C ATOM 1469 CG ASN A 99 -4.267 -9.550 -13.073 1.00 4.02 C ATOM 1470 OD1 ASN A 99 -5.035 -9.230 -13.983 1.00 72.01 O ATOM 1471 ND2 ASN A 99 -3.555 -10.664 -13.100 1.00 35.23 N ATOM 0 H ASN A 99 -2.302 -7.258 -12.935 1.00 40.10 H new ATOM 0 HA ASN A 99 -5.136 -6.956 -12.614 1.00 2.05 H new ATOM 0 HB2 ASN A 99 -3.098 -8.886 -11.417 1.00 32.53 H new ATOM 0 HB3 ASN A 99 -4.818 -8.984 -11.092 1.00 32.53 H new ATOM 0 HD21 ASN A 99 -3.629 -11.298 -13.896 1.00 35.23 H new ATOM 0 HD22 ASN A 99 -2.932 -10.890 -12.325 1.00 35.23 H new ATOM 1478 N THR A 100 -5.398 -6.105 -10.282 1.00 13.44 N ATOM 1479 CA THR A 100 -5.635 -5.817 -8.876 1.00 60.42 C ATOM 1480 C THR A 100 -6.184 -7.086 -8.208 1.00 73.45 C ATOM 1481 O THR A 100 -6.497 -8.059 -8.915 1.00 60.23 O ATOM 1482 CB THR A 100 -6.618 -4.636 -8.680 1.00 43.34 C ATOM 1483 OG1 THR A 100 -7.849 -4.880 -9.378 1.00 34.22 O ATOM 1484 CG2 THR A 100 -6.011 -3.326 -9.170 1.00 3.20 C ATOM 0 H THR A 100 -6.209 -5.965 -10.885 1.00 13.44 H new ATOM 0 HA THR A 100 -4.693 -5.519 -8.416 1.00 60.42 H new ATOM 0 HB THR A 100 -6.819 -4.552 -7.612 1.00 43.34 H new ATOM 0 HG1 THR A 100 -8.458 -4.124 -9.241 1.00 34.22 H new ATOM 0 HG21 THR A 100 -6.724 -2.516 -9.019 1.00 3.20 H new ATOM 0 HG22 THR A 100 -5.099 -3.116 -8.611 1.00 3.20 H new ATOM 0 HG23 THR A 100 -5.775 -3.409 -10.231 1.00 3.20 H new ATOM 1602 N THR A 109 7.855 -3.282 -9.047 1.00 41.53 N ATOM 1603 CA THR A 109 9.292 -3.246 -8.815 1.00 10.44 C ATOM 1604 C THR A 109 9.812 -1.812 -8.877 1.00 24.34 C ATOM 1605 O THR A 109 9.298 -0.985 -9.631 1.00 55.21 O ATOM 1606 CB THR A 109 10.018 -4.135 -9.861 1.00 23.25 C ATOM 1607 OG1 THR A 109 9.432 -5.442 -9.870 1.00 40.21 O ATOM 1608 CG2 THR A 109 11.513 -4.269 -9.578 1.00 73.01 C ATOM 0 HA THR A 109 9.496 -3.636 -7.818 1.00 10.44 H new ATOM 0 HB THR A 109 9.902 -3.649 -10.830 1.00 23.25 H new ATOM 0 HG1 THR A 109 8.464 -5.367 -9.737 1.00 40.21 H new ATOM 0 HG21 THR A 109 11.972 -4.900 -10.339 1.00 73.01 H new ATOM 0 HG22 THR A 109 11.977 -3.283 -9.597 1.00 73.01 H new ATOM 0 HG23 THR A 109 11.659 -4.720 -8.596 1.00 73.01 H new ATOM 1616 N PHE A 110 10.799 -1.523 -8.040 1.00 65.35 N ATOM 1617 CA PHE A 110 11.522 -0.262 -8.083 1.00 42.53 C ATOM 1618 C PHE A 110 12.752 -0.427 -8.984 1.00 44.34 C ATOM 1619 O PHE A 110 13.887 -0.540 -8.513 1.00 31.52 O ATOM 1620 CB PHE A 110 11.920 0.178 -6.661 1.00 32.15 C ATOM 1621 CG PHE A 110 10.752 0.343 -5.713 1.00 31.12 C ATOM 1622 CD1 PHE A 110 10.168 -0.757 -5.094 1.00 14.24 C ATOM 1623 CD2 PHE A 110 10.237 1.595 -5.446 1.00 65.14 C ATOM 1624 CE1 PHE A 110 9.099 -0.603 -4.237 1.00 34.23 C ATOM 1625 CE2 PHE A 110 9.166 1.752 -4.586 1.00 25.42 C ATOM 1626 CZ PHE A 110 8.599 0.652 -3.981 1.00 23.12 C ATOM 0 H PHE A 110 11.121 -2.159 -7.310 1.00 65.35 H new ATOM 0 HA PHE A 110 10.884 0.519 -8.497 1.00 42.53 H new ATOM 0 HB2 PHE A 110 12.610 -0.556 -6.245 1.00 32.15 H new ATOM 0 HB3 PHE A 110 12.460 1.123 -6.723 1.00 32.15 H new ATOM 0 HD1 PHE A 110 10.557 -1.746 -5.287 1.00 14.24 H new ATOM 0 HD2 PHE A 110 10.676 2.463 -5.915 1.00 65.14 H new ATOM 0 HE1 PHE A 110 8.655 -1.468 -3.767 1.00 34.23 H new ATOM 0 HE2 PHE A 110 8.773 2.738 -4.388 1.00 25.42 H new ATOM 0 HZ PHE A 110 7.764 0.775 -3.307 1.00 23.12 H new ATOM 1636 N PHE A 111 12.485 -0.515 -10.290 1.00 3.30 N ATOM 1637 CA PHE A 111 13.514 -0.759 -11.306 1.00 42.25 C ATOM 1638 C PHE A 111 14.054 0.561 -11.861 1.00 52.35 C ATOM 1639 O PHE A 111 15.224 0.674 -12.229 1.00 55.52 O ATOM 1640 CB PHE A 111 12.953 -1.656 -12.445 1.00 35.43 C ATOM 1641 CG PHE A 111 11.693 -1.149 -13.130 1.00 42.22 C ATOM 1642 CD1 PHE A 111 10.439 -1.414 -12.603 1.00 2.23 C ATOM 1643 CD2 PHE A 111 11.770 -0.408 -14.302 1.00 44.10 C ATOM 1644 CE1 PHE A 111 9.294 -0.948 -13.221 1.00 74.11 C ATOM 1645 CE2 PHE A 111 10.629 0.058 -14.925 1.00 0.21 C ATOM 1646 CZ PHE A 111 9.388 -0.212 -14.382 1.00 5.53 C ATOM 0 H PHE A 111 11.545 -0.419 -10.674 1.00 3.30 H new ATOM 0 HA PHE A 111 14.343 -1.287 -10.836 1.00 42.25 H new ATOM 0 HB2 PHE A 111 13.729 -1.779 -13.200 1.00 35.43 H new ATOM 0 HB3 PHE A 111 12.748 -2.645 -12.035 1.00 35.43 H new ATOM 0 HD1 PHE A 111 10.355 -1.994 -11.696 1.00 2.23 H new ATOM 0 HD2 PHE A 111 12.737 -0.193 -14.733 1.00 44.10 H new ATOM 0 HE1 PHE A 111 8.325 -1.161 -12.794 1.00 74.11 H new ATOM 0 HE2 PHE A 111 10.707 0.633 -15.836 1.00 0.21 H new ATOM 0 HZ PHE A 111 8.494 0.153 -14.866 1.00 5.53 H new ATOM 1656 N ASN A 112 13.175 1.547 -11.895 1.00 11.12 N ATOM 1657 CA ASN A 112 13.487 2.878 -12.370 1.00 54.31 C ATOM 1658 C ASN A 112 13.393 3.816 -11.180 1.00 15.35 C ATOM 1659 O ASN A 112 12.708 3.505 -10.209 1.00 21.45 O ATOM 1660 CB ASN A 112 12.487 3.261 -13.477 1.00 5.22 C ATOM 1661 CG ASN A 112 12.765 4.604 -14.135 1.00 31.30 C ATOM 1662 OD1 ASN A 112 12.231 5.634 -13.722 1.00 64.44 O ATOM 1663 ND2 ASN A 112 13.598 4.597 -15.161 1.00 31.31 N ATOM 0 H ASN A 112 12.208 1.440 -11.587 1.00 11.12 H new ATOM 0 HA ASN A 112 14.489 2.935 -12.795 1.00 54.31 H new ATOM 0 HB2 ASN A 112 12.496 2.486 -14.243 1.00 5.22 H new ATOM 0 HB3 ASN A 112 11.483 3.278 -13.053 1.00 5.22 H new ATOM 0 HD21 ASN A 112 13.820 5.468 -15.643 1.00 31.31 H new ATOM 0 HD22 ASN A 112 14.018 3.721 -15.471 1.00 31.31 H new ATOM 1670 N GLU A 113 14.105 4.925 -11.207 1.00 53.13 N ATOM 1671 CA GLU A 113 14.010 5.870 -10.115 1.00 34.25 C ATOM 1672 C GLU A 113 13.002 6.956 -10.443 1.00 25.14 C ATOM 1673 O GLU A 113 13.297 7.939 -11.124 1.00 32.22 O ATOM 1674 CB GLU A 113 15.387 6.411 -9.752 1.00 13.02 C ATOM 1675 CG GLU A 113 16.307 5.282 -9.329 1.00 41.11 C ATOM 1676 CD GLU A 113 17.695 5.718 -8.926 1.00 74.32 C ATOM 1677 OE1 GLU A 113 18.447 6.214 -9.790 1.00 44.24 O ATOM 1678 OE2 GLU A 113 18.060 5.524 -7.757 1.00 43.33 O ATOM 0 H GLU A 113 14.743 5.190 -11.957 1.00 53.13 H new ATOM 0 HA GLU A 113 13.639 5.362 -9.225 1.00 34.25 H new ATOM 0 HB2 GLU A 113 15.815 6.936 -10.606 1.00 13.02 H new ATOM 0 HB3 GLU A 113 15.297 7.137 -8.944 1.00 13.02 H new ATOM 0 HG2 GLU A 113 15.850 4.753 -8.493 1.00 41.11 H new ATOM 0 HG3 GLU A 113 16.388 4.570 -10.151 1.00 41.11 H new ATOM 1685 N GLY A 114 11.798 6.713 -9.956 1.00 12.33 N ATOM 1686 CA GLY A 114 10.679 7.603 -10.189 1.00 44.23 C ATOM 1687 C GLY A 114 9.743 7.691 -9.005 1.00 10.10 C ATOM 1688 O GLY A 114 10.185 7.717 -7.859 1.00 61.45 O ATOM 0 H GLY A 114 11.571 5.895 -9.390 1.00 12.33 H new ATOM 0 HA2 GLY A 114 11.055 8.599 -10.423 1.00 44.23 H new ATOM 0 HA3 GLY A 114 10.123 7.259 -11.061 1.00 44.23 H new ATOM 1692 N GLU A 115 8.448 7.730 -9.275 1.00 72.24 N ATOM 1693 CA GLU A 115 7.462 7.875 -8.224 1.00 24.33 C ATOM 1694 C GLU A 115 6.524 6.678 -8.219 1.00 72.44 C ATOM 1695 O GLU A 115 5.762 6.458 -9.165 1.00 21.32 O ATOM 1696 CB GLU A 115 6.675 9.165 -8.415 1.00 32.41 C ATOM 1697 CG GLU A 115 5.951 9.629 -7.158 1.00 64.44 C ATOM 1698 CD GLU A 115 5.233 10.952 -7.348 1.00 74.22 C ATOM 1699 OE1 GLU A 115 5.917 11.988 -7.472 1.00 41.01 O ATOM 1700 OE2 GLU A 115 3.989 10.960 -7.383 1.00 12.44 O ATOM 0 H GLU A 115 8.058 7.663 -10.215 1.00 72.24 H new ATOM 0 HA GLU A 115 7.975 7.921 -7.263 1.00 24.33 H new ATOM 0 HB2 GLU A 115 7.355 9.951 -8.743 1.00 32.41 H new ATOM 0 HB3 GLU A 115 5.946 9.021 -9.212 1.00 32.41 H new ATOM 0 HG2 GLU A 115 5.229 8.869 -6.858 1.00 64.44 H new ATOM 0 HG3 GLU A 115 6.670 9.725 -6.344 1.00 64.44 H new ATOM 1707 N TYR A 116 6.600 5.902 -7.155 1.00 52.45 N ATOM 1708 CA TYR A 116 5.800 4.700 -7.019 1.00 70.51 C ATOM 1709 C TYR A 116 4.846 4.847 -5.846 1.00 4.33 C ATOM 1710 O TYR A 116 5.261 4.809 -4.691 1.00 21.30 O ATOM 1711 CB TYR A 116 6.699 3.476 -6.809 1.00 45.03 C ATOM 1712 CG TYR A 116 7.627 3.158 -7.968 1.00 3.13 C ATOM 1713 CD1 TYR A 116 7.176 2.424 -9.048 1.00 14.23 C ATOM 1714 CD2 TYR A 116 8.954 3.564 -7.966 1.00 11.22 C ATOM 1715 CE1 TYR A 116 8.010 2.094 -10.093 1.00 0.34 C ATOM 1716 CE2 TYR A 116 9.796 3.243 -9.012 1.00 1.42 C ATOM 1717 CZ TYR A 116 9.315 2.503 -10.074 1.00 62.22 C ATOM 1718 OH TYR A 116 10.144 2.158 -11.114 1.00 54.20 O ATOM 0 H TYR A 116 7.216 6.086 -6.363 1.00 52.45 H new ATOM 0 HA TYR A 116 5.227 4.557 -7.935 1.00 70.51 H new ATOM 0 HB2 TYR A 116 7.300 3.634 -5.914 1.00 45.03 H new ATOM 0 HB3 TYR A 116 6.068 2.608 -6.619 1.00 45.03 H new ATOM 0 HD1 TYR A 116 6.146 2.102 -9.073 1.00 14.23 H new ATOM 0 HD2 TYR A 116 9.333 4.139 -7.134 1.00 11.22 H new ATOM 0 HE1 TYR A 116 7.635 1.515 -10.924 1.00 0.34 H new ATOM 0 HE2 TYR A 116 10.826 3.569 -9.000 1.00 1.42 H new ATOM 0 HH TYR A 116 10.944 2.723 -11.096 1.00 54.20 H new ATOM 1728 N ILE A 117 3.572 5.046 -6.145 1.00 24.45 N ATOM 1729 CA ILE A 117 2.568 5.192 -5.102 1.00 41.03 C ATOM 1730 C ILE A 117 1.965 3.826 -4.800 1.00 1.11 C ATOM 1731 O ILE A 117 1.420 3.160 -5.683 1.00 41.13 O ATOM 1732 CB ILE A 117 1.433 6.216 -5.445 1.00 10.22 C ATOM 1733 CG1 ILE A 117 1.993 7.612 -5.765 1.00 33.14 C ATOM 1734 CG2 ILE A 117 0.449 6.333 -4.281 1.00 42.25 C ATOM 1735 CD1 ILE A 117 2.317 7.844 -7.231 1.00 74.51 C ATOM 0 H ILE A 117 3.210 5.110 -7.096 1.00 24.45 H new ATOM 0 HA ILE A 117 3.078 5.599 -4.229 1.00 41.03 H new ATOM 0 HB ILE A 117 0.923 5.837 -6.330 1.00 10.22 H new ATOM 0 HG12 ILE A 117 1.270 8.361 -5.444 1.00 33.14 H new ATOM 0 HG13 ILE A 117 2.898 7.769 -5.177 1.00 33.14 H new ATOM 0 HG21 ILE A 117 -0.333 7.048 -4.536 1.00 42.25 H new ATOM 0 HG22 ILE A 117 0.000 5.359 -4.085 1.00 42.25 H new ATOM 0 HG23 ILE A 117 0.977 6.675 -3.391 1.00 42.25 H new ATOM 0 HD11 ILE A 117 2.706 8.854 -7.362 1.00 74.51 H new ATOM 0 HD12 ILE A 117 3.066 7.122 -7.557 1.00 74.51 H new ATOM 0 HD13 ILE A 117 1.412 7.723 -7.827 1.00 74.51 H new ATOM 1747 N VAL A 118 2.105 3.402 -3.556 1.00 13.13 N ATOM 1748 CA VAL A 118 1.582 2.123 -3.120 1.00 52.10 C ATOM 1749 C VAL A 118 0.239 2.343 -2.433 1.00 30.55 C ATOM 1750 O VAL A 118 0.152 3.085 -1.450 1.00 42.44 O ATOM 1751 CB VAL A 118 2.576 1.404 -2.168 1.00 44.05 C ATOM 1752 CG1 VAL A 118 2.087 0.013 -1.798 1.00 11.01 C ATOM 1753 CG2 VAL A 118 3.959 1.322 -2.799 1.00 23.42 C ATOM 0 H VAL A 118 2.581 3.932 -2.826 1.00 13.13 H new ATOM 0 HA VAL A 118 1.445 1.480 -3.990 1.00 52.10 H new ATOM 0 HB VAL A 118 2.638 1.994 -1.254 1.00 44.05 H new ATOM 0 HG11 VAL A 118 2.807 -0.460 -1.131 1.00 11.01 H new ATOM 0 HG12 VAL A 118 1.122 0.088 -1.296 1.00 11.01 H new ATOM 0 HG13 VAL A 118 1.980 -0.587 -2.701 1.00 11.01 H new ATOM 0 HG21 VAL A 118 4.641 0.815 -2.116 1.00 23.42 H new ATOM 0 HG22 VAL A 118 3.900 0.764 -3.734 1.00 23.42 H new ATOM 0 HG23 VAL A 118 4.328 2.328 -2.999 1.00 23.42 H new ATOM 1763 N SER A 119 -0.804 1.724 -2.969 1.00 65.22 N ATOM 1764 CA SER A 119 -2.137 1.889 -2.432 1.00 44.25 C ATOM 1765 C SER A 119 -2.657 0.572 -1.860 1.00 51.11 C ATOM 1766 O SER A 119 -2.562 -0.483 -2.490 1.00 53.10 O ATOM 1767 CB SER A 119 -3.087 2.424 -3.509 1.00 35.20 C ATOM 1768 OG SER A 119 -4.371 2.718 -2.981 1.00 34.30 O ATOM 0 H SER A 119 -0.747 1.103 -3.776 1.00 65.22 H new ATOM 0 HA SER A 119 -2.092 2.616 -1.621 1.00 44.25 H new ATOM 0 HB2 SER A 119 -2.662 3.324 -3.954 1.00 35.20 H new ATOM 0 HB3 SER A 119 -3.182 1.688 -4.308 1.00 35.20 H new ATOM 0 HG SER A 119 -4.338 3.569 -2.496 1.00 34.30 H new ATOM 1774 N LEU A 120 -3.196 0.669 -0.659 1.00 14.31 N ATOM 1775 CA LEU A 120 -3.855 -0.434 0.018 1.00 4.04 C ATOM 1776 C LEU A 120 -5.295 -0.015 0.303 1.00 70.31 C ATOM 1777 O LEU A 120 -5.540 1.077 0.813 1.00 2.34 O ATOM 1778 CB LEU A 120 -3.068 -0.779 1.317 1.00 23.54 C ATOM 1779 CG LEU A 120 -3.494 -2.019 2.151 1.00 32.44 C ATOM 1780 CD1 LEU A 120 -4.708 -1.739 3.007 1.00 0.11 C ATOM 1781 CD2 LEU A 120 -3.746 -3.235 1.269 1.00 65.23 C ATOM 0 H LEU A 120 -3.188 1.532 -0.116 1.00 14.31 H new ATOM 0 HA LEU A 120 -3.872 -1.334 -0.596 1.00 4.04 H new ATOM 0 HB2 LEU A 120 -2.022 -0.912 1.042 1.00 23.54 H new ATOM 0 HB3 LEU A 120 -3.118 0.091 1.972 1.00 23.54 H new ATOM 0 HG LEU A 120 -2.657 -2.242 2.813 1.00 32.44 H new ATOM 0 HD11 LEU A 120 -4.969 -2.634 3.572 1.00 0.11 H new ATOM 0 HD12 LEU A 120 -4.486 -0.926 3.698 1.00 0.11 H new ATOM 0 HD13 LEU A 120 -5.545 -1.455 2.369 1.00 0.11 H new ATOM 0 HD21 LEU A 120 -4.042 -4.080 1.890 1.00 65.23 H new ATOM 0 HD22 LEU A 120 -4.542 -3.011 0.559 1.00 65.23 H new ATOM 0 HD23 LEU A 120 -2.835 -3.485 0.725 1.00 65.23 H new ATOM 1793 N ILE A 121 -6.236 -0.874 -0.040 1.00 74.13 N ATOM 1794 CA ILE A 121 -7.623 -0.667 0.321 1.00 61.05 C ATOM 1795 C ILE A 121 -8.155 -1.907 1.047 1.00 24.12 C ATOM 1796 O ILE A 121 -7.984 -3.033 0.597 1.00 54.41 O ATOM 1797 CB ILE A 121 -8.512 -0.298 -0.915 1.00 24.21 C ATOM 1798 CG1 ILE A 121 -9.993 -0.178 -0.496 1.00 23.31 C ATOM 1799 CG2 ILE A 121 -8.331 -1.293 -2.067 1.00 42.24 C ATOM 1800 CD1 ILE A 121 -10.953 0.173 -1.613 1.00 32.33 C ATOM 0 H ILE A 121 -6.062 -1.727 -0.572 1.00 74.13 H new ATOM 0 HA ILE A 121 -7.674 0.188 0.995 1.00 61.05 H new ATOM 0 HB ILE A 121 -8.183 0.672 -1.286 1.00 24.21 H new ATOM 0 HG12 ILE A 121 -10.306 -1.123 -0.053 1.00 23.31 H new ATOM 0 HG13 ILE A 121 -10.073 0.581 0.282 1.00 23.31 H new ATOM 0 HG21 ILE A 121 -8.965 -1.000 -2.904 1.00 42.24 H new ATOM 0 HG22 ILE A 121 -7.289 -1.295 -2.385 1.00 42.24 H new ATOM 0 HG23 ILE A 121 -8.610 -2.292 -1.732 1.00 42.24 H new ATOM 0 HD11 ILE A 121 -11.966 0.233 -1.216 1.00 32.33 H new ATOM 0 HD12 ILE A 121 -10.674 1.135 -2.044 1.00 32.33 H new ATOM 0 HD13 ILE A 121 -10.911 -0.596 -2.384 1.00 32.33 H new ATOM 1812 N VAL A 122 -8.769 -1.685 2.198 1.00 44.10 N ATOM 1813 CA VAL A 122 -9.423 -2.760 2.926 1.00 33.01 C ATOM 1814 C VAL A 122 -10.912 -2.507 3.007 1.00 4.22 C ATOM 1815 O VAL A 122 -11.361 -1.361 3.061 1.00 22.55 O ATOM 1816 CB VAL A 122 -8.847 -3.002 4.348 1.00 34.34 C ATOM 1817 CG1 VAL A 122 -7.555 -3.780 4.260 1.00 35.22 C ATOM 1818 CG2 VAL A 122 -8.616 -1.704 5.109 1.00 35.50 C ATOM 0 H VAL A 122 -8.828 -0.771 2.648 1.00 44.10 H new ATOM 0 HA VAL A 122 -9.225 -3.669 2.359 1.00 33.01 H new ATOM 0 HB VAL A 122 -9.589 -3.578 4.901 1.00 34.34 H new ATOM 0 HG11 VAL A 122 -7.160 -3.944 5.263 1.00 35.22 H new ATOM 0 HG12 VAL A 122 -7.741 -4.742 3.782 1.00 35.22 H new ATOM 0 HG13 VAL A 122 -6.830 -3.217 3.672 1.00 35.22 H new ATOM 0 HG21 VAL A 122 -8.213 -1.928 6.097 1.00 35.50 H new ATOM 0 HG22 VAL A 122 -7.908 -1.082 4.561 1.00 35.50 H new ATOM 0 HG23 VAL A 122 -9.561 -1.171 5.215 1.00 35.50 H new ATOM 1828 N SER A 123 -11.671 -3.581 3.016 1.00 44.42 N ATOM 1829 CA SER A 123 -13.111 -3.491 2.962 1.00 72.32 C ATOM 1830 C SER A 123 -13.722 -4.237 4.134 1.00 13.55 C ATOM 1831 O SER A 123 -13.131 -5.180 4.655 1.00 44.14 O ATOM 1832 CB SER A 123 -13.628 -4.055 1.636 1.00 33.51 C ATOM 1833 OG SER A 123 -13.010 -3.400 0.536 1.00 31.52 O ATOM 0 H SER A 123 -11.309 -4.534 3.061 1.00 44.42 H new ATOM 0 HA SER A 123 -13.403 -2.443 3.026 1.00 72.32 H new ATOM 0 HB2 SER A 123 -13.428 -5.125 1.588 1.00 33.51 H new ATOM 0 HB3 SER A 123 -14.709 -3.930 1.579 1.00 33.51 H new ATOM 0 HG SER A 123 -13.352 -3.775 -0.302 1.00 31.52 H new ATOM 1839 N ASN A 124 -14.885 -3.775 4.553 1.00 11.20 N ATOM 1840 CA ASN A 124 -15.654 -4.365 5.645 1.00 2.14 C ATOM 1841 C ASN A 124 -17.130 -4.202 5.268 1.00 10.21 C ATOM 1842 O ASN A 124 -17.425 -3.597 4.237 1.00 15.43 O ATOM 1843 CB ASN A 124 -15.309 -3.617 6.958 1.00 31.54 C ATOM 1844 CG ASN A 124 -15.836 -4.258 8.229 1.00 23.32 C ATOM 1845 OD1 ASN A 124 -16.936 -3.936 8.680 1.00 15.01 O ATOM 1846 ND2 ASN A 124 -15.040 -5.122 8.842 1.00 14.23 N ATOM 0 H ASN A 124 -15.336 -2.960 4.137 1.00 11.20 H new ATOM 0 HA ASN A 124 -15.427 -5.420 5.801 1.00 2.14 H new ATOM 0 HB2 ASN A 124 -14.225 -3.534 7.035 1.00 31.54 H new ATOM 0 HB3 ASN A 124 -15.702 -2.603 6.893 1.00 31.54 H new ATOM 0 HD21 ASN A 124 -15.331 -5.548 9.722 1.00 14.23 H new ATOM 0 HD22 ASN A 124 -14.136 -5.361 8.434 1.00 14.23 H new ATOM 1853 N GLU A 125 -18.064 -4.710 6.067 1.00 30.10 N ATOM 1854 CA GLU A 125 -19.486 -4.539 5.769 1.00 73.03 C ATOM 1855 C GLU A 125 -20.001 -3.167 6.239 1.00 63.53 C ATOM 1856 O GLU A 125 -21.100 -2.745 5.864 1.00 15.02 O ATOM 1857 CB GLU A 125 -20.311 -5.677 6.380 1.00 2.02 C ATOM 1858 CG GLU A 125 -20.137 -5.853 7.883 1.00 45.44 C ATOM 1859 CD GLU A 125 -21.003 -6.965 8.430 1.00 21.10 C ATOM 1860 OE1 GLU A 125 -22.219 -6.747 8.578 1.00 64.50 O ATOM 1861 OE2 GLU A 125 -20.475 -8.062 8.707 1.00 24.13 O ATOM 0 H GLU A 125 -17.867 -5.238 6.917 1.00 30.10 H new ATOM 0 HA GLU A 125 -19.604 -4.577 4.686 1.00 73.03 H new ATOM 0 HB2 GLU A 125 -21.365 -5.497 6.169 1.00 2.02 H new ATOM 0 HB3 GLU A 125 -20.041 -6.610 5.885 1.00 2.02 H new ATOM 0 HG2 GLU A 125 -19.091 -6.067 8.104 1.00 45.44 H new ATOM 0 HG3 GLU A 125 -20.385 -4.919 8.388 1.00 45.44 H new ATOM 1868 N ASN A 126 -19.191 -2.468 7.036 1.00 21.24 N ATOM 1869 CA ASN A 126 -19.531 -1.124 7.497 1.00 54.21 C ATOM 1870 C ASN A 126 -18.996 -0.071 6.536 1.00 64.22 C ATOM 1871 O ASN A 126 -19.764 0.676 5.921 1.00 45.24 O ATOM 1872 CB ASN A 126 -18.930 -0.867 8.888 1.00 54.14 C ATOM 1873 CG ASN A 126 -19.492 -1.766 9.966 1.00 21.23 C ATOM 1874 OD1 ASN A 126 -20.670 -2.119 9.956 1.00 51.22 O ATOM 1875 ND2 ASN A 126 -18.639 -2.161 10.890 1.00 33.14 N ATOM 0 H ASN A 126 -18.293 -2.813 7.375 1.00 21.24 H new ATOM 0 HA ASN A 126 -20.618 -1.056 7.543 1.00 54.21 H new ATOM 0 HB2 ASN A 126 -17.850 -1.004 8.839 1.00 54.14 H new ATOM 0 HB3 ASN A 126 -19.107 0.172 9.165 1.00 54.14 H new ATOM 0 HD21 ASN A 126 -18.948 -2.785 11.636 1.00 33.14 H new ATOM 0 HD22 ASN A 126 -17.670 -1.843 10.859 1.00 33.14 H new ATOM 1882 N ASP A 127 -17.677 -0.051 6.383 1.00 15.11 N ATOM 1883 CA ASP A 127 -16.992 0.985 5.613 1.00 31.32 C ATOM 1884 C ASP A 127 -15.843 0.381 4.825 1.00 23.20 C ATOM 1885 O ASP A 127 -15.534 -0.800 4.971 1.00 1.03 O ATOM 1886 CB ASP A 127 -16.426 2.092 6.530 1.00 11.13 C ATOM 1887 CG ASP A 127 -17.491 2.942 7.202 1.00 45.52 C ATOM 1888 OD1 ASP A 127 -17.972 3.905 6.577 1.00 74.53 O ATOM 1889 OD2 ASP A 127 -17.848 2.653 8.361 1.00 13.51 O ATOM 0 H ASP A 127 -17.053 -0.749 6.787 1.00 15.11 H new ATOM 0 HA ASP A 127 -17.727 1.423 4.937 1.00 31.32 H new ATOM 0 HB2 ASP A 127 -15.805 1.631 7.298 1.00 11.13 H new ATOM 0 HB3 ASP A 127 -15.776 2.740 5.942 1.00 11.13 H new ATOM 1894 N SER A 128 -15.218 1.197 3.992 1.00 1.53 N ATOM 1895 CA SER A 128 -13.974 0.830 3.344 1.00 10.33 C ATOM 1896 C SER A 128 -12.931 1.913 3.606 1.00 51.24 C ATOM 1897 O SER A 128 -13.204 3.110 3.461 1.00 55.12 O ATOM 1898 CB SER A 128 -14.191 0.596 1.847 1.00 42.34 C ATOM 1899 OG SER A 128 -14.958 1.639 1.264 1.00 11.42 O ATOM 0 H SER A 128 -15.558 2.127 3.748 1.00 1.53 H new ATOM 0 HA SER A 128 -13.607 -0.108 3.760 1.00 10.33 H new ATOM 0 HB2 SER A 128 -13.226 0.528 1.345 1.00 42.34 H new ATOM 0 HB3 SER A 128 -14.697 -0.358 1.696 1.00 42.34 H new ATOM 0 HG SER A 128 -15.078 1.462 0.308 1.00 11.42 H new ATOM 1905 N ASP A 129 -11.747 1.485 4.014 1.00 41.42 N ATOM 1906 CA ASP A 129 -10.697 2.394 4.446 1.00 3.42 C ATOM 1907 C ASP A 129 -9.489 2.196 3.552 1.00 64.04 C ATOM 1908 O ASP A 129 -9.104 1.061 3.274 1.00 3.14 O ATOM 1909 CB ASP A 129 -10.335 2.113 5.910 1.00 34.11 C ATOM 1910 CG ASP A 129 -9.642 3.278 6.581 1.00 11.13 C ATOM 1911 OD1 ASP A 129 -10.341 4.235 6.971 1.00 1.04 O ATOM 1912 OD2 ASP A 129 -8.409 3.246 6.729 1.00 65.43 O ATOM 0 H ASP A 129 -11.487 0.500 4.055 1.00 41.42 H new ATOM 0 HA ASP A 129 -11.039 3.426 4.372 1.00 3.42 H new ATOM 0 HB2 ASP A 129 -11.242 1.870 6.463 1.00 34.11 H new ATOM 0 HB3 ASP A 129 -9.689 1.237 5.957 1.00 34.11 H new ATOM 1917 N SER A 130 -8.913 3.279 3.053 1.00 70.04 N ATOM 1918 CA SER A 130 -7.809 3.168 2.114 1.00 62.21 C ATOM 1919 C SER A 130 -6.653 4.089 2.505 1.00 2.32 C ATOM 1920 O SER A 130 -6.862 5.229 2.927 1.00 54.20 O ATOM 1921 CB SER A 130 -8.292 3.496 0.699 1.00 62.31 C ATOM 1922 OG SER A 130 -9.557 2.909 0.434 1.00 23.44 O ATOM 0 H SER A 130 -9.188 4.235 3.280 1.00 70.04 H new ATOM 0 HA SER A 130 -7.443 2.142 2.140 1.00 62.21 H new ATOM 0 HB2 SER A 130 -8.358 4.577 0.577 1.00 62.31 H new ATOM 0 HB3 SER A 130 -7.563 3.137 -0.028 1.00 62.31 H new ATOM 0 HG SER A 130 -9.840 3.138 -0.476 1.00 23.44 H new ATOM 1928 N ALA A 131 -5.440 3.570 2.354 1.00 40.11 N ATOM 1929 CA ALA A 131 -4.223 4.314 2.634 1.00 3.31 C ATOM 1930 C ALA A 131 -3.257 4.185 1.488 1.00 1.13 C ATOM 1931 O ALA A 131 -3.022 3.098 0.966 1.00 71.23 O ATOM 1932 CB ALA A 131 -3.564 3.850 3.927 1.00 64.24 C ATOM 0 H ALA A 131 -5.275 2.616 2.032 1.00 40.11 H new ATOM 0 HA ALA A 131 -4.499 5.361 2.757 1.00 3.31 H new ATOM 0 HB1 ALA A 131 -2.658 4.430 4.102 1.00 64.24 H new ATOM 0 HB2 ALA A 131 -4.253 3.995 4.759 1.00 64.24 H new ATOM 0 HB3 ALA A 131 -3.309 2.793 3.847 1.00 64.24 H new ATOM 1938 N SER A 132 -2.731 5.316 1.095 1.00 32.13 N ATOM 1939 CA SER A 132 -1.774 5.390 0.027 1.00 64.02 C ATOM 1940 C SER A 132 -0.573 6.193 0.489 1.00 64.04 C ATOM 1941 O SER A 132 -0.717 7.134 1.279 1.00 12.45 O ATOM 1942 CB SER A 132 -2.419 6.048 -1.190 1.00 63.41 C ATOM 1943 OG SER A 132 -3.524 5.297 -1.665 1.00 11.23 O ATOM 0 H SER A 132 -2.958 6.218 1.512 1.00 32.13 H new ATOM 0 HA SER A 132 -1.446 4.388 -0.250 1.00 64.02 H new ATOM 0 HB2 SER A 132 -2.747 7.054 -0.929 1.00 63.41 H new ATOM 0 HB3 SER A 132 -1.679 6.150 -1.984 1.00 63.41 H new ATOM 0 HG SER A 132 -3.915 5.746 -2.443 1.00 11.23 H new ATOM 1949 N VAL A 133 0.606 5.827 0.018 1.00 61.25 N ATOM 1950 CA VAL A 133 1.808 6.563 0.362 1.00 22.34 C ATOM 1951 C VAL A 133 2.726 6.665 -0.863 1.00 42.53 C ATOM 1952 O VAL A 133 2.899 5.702 -1.623 1.00 53.32 O ATOM 1953 CB VAL A 133 2.538 5.953 1.606 1.00 22.25 C ATOM 1954 CG1 VAL A 133 3.021 4.533 1.356 1.00 44.55 C ATOM 1955 CG2 VAL A 133 3.691 6.838 2.079 1.00 33.32 C ATOM 0 H VAL A 133 0.756 5.029 -0.600 1.00 61.25 H new ATOM 0 HA VAL A 133 1.521 7.573 0.655 1.00 22.34 H new ATOM 0 HB VAL A 133 1.795 5.910 2.402 1.00 22.25 H new ATOM 0 HG11 VAL A 133 3.520 4.156 2.249 1.00 44.55 H new ATOM 0 HG12 VAL A 133 2.169 3.895 1.120 1.00 44.55 H new ATOM 0 HG13 VAL A 133 3.720 4.528 0.520 1.00 44.55 H new ATOM 0 HG21 VAL A 133 4.171 6.379 2.943 1.00 33.32 H new ATOM 0 HG22 VAL A 133 4.419 6.947 1.275 1.00 33.32 H new ATOM 0 HG23 VAL A 133 3.306 7.820 2.356 1.00 33.32 H new ATOM 1965 N THR A 134 3.243 7.863 -1.075 1.00 33.00 N ATOM 1966 CA THR A 134 4.153 8.146 -2.164 1.00 23.35 C ATOM 1967 C THR A 134 5.570 7.701 -1.789 1.00 24.03 C ATOM 1968 O THR A 134 6.217 8.300 -0.922 1.00 40.25 O ATOM 1969 CB THR A 134 4.120 9.658 -2.489 1.00 43.11 C ATOM 1970 OG1 THR A 134 2.769 10.058 -2.760 1.00 30.45 O ATOM 1971 CG2 THR A 134 5.001 10.010 -3.677 1.00 11.05 C ATOM 0 H THR A 134 3.039 8.672 -0.489 1.00 33.00 H new ATOM 0 HA THR A 134 3.843 7.593 -3.051 1.00 23.35 H new ATOM 0 HB THR A 134 4.509 10.191 -1.621 1.00 43.11 H new ATOM 0 HG1 THR A 134 2.746 11.016 -2.964 1.00 30.45 H new ATOM 0 HG21 THR A 134 4.945 11.082 -3.867 1.00 11.05 H new ATOM 0 HG22 THR A 134 6.033 9.733 -3.460 1.00 11.05 H new ATOM 0 HG23 THR A 134 4.658 9.467 -4.558 1.00 11.05 H new ATOM 1979 N ILE A 135 6.029 6.623 -2.422 1.00 64.11 N ATOM 1980 CA ILE A 135 7.377 6.129 -2.201 1.00 23.43 C ATOM 1981 C ILE A 135 8.292 6.795 -3.211 1.00 13.01 C ATOM 1982 O ILE A 135 8.066 6.724 -4.423 1.00 14.22 O ATOM 1983 CB ILE A 135 7.482 4.581 -2.324 1.00 3.14 C ATOM 1984 CG1 ILE A 135 6.374 3.876 -1.513 1.00 51.30 C ATOM 1985 CG2 ILE A 135 8.858 4.099 -1.870 1.00 25.43 C ATOM 1986 CD1 ILE A 135 6.395 4.151 -0.019 1.00 74.43 C ATOM 0 H ILE A 135 5.484 6.079 -3.091 1.00 64.11 H new ATOM 0 HA ILE A 135 7.670 6.374 -1.180 1.00 23.43 H new ATOM 0 HB ILE A 135 7.347 4.322 -3.374 1.00 3.14 H new ATOM 0 HG12 ILE A 135 5.405 4.181 -1.909 1.00 51.30 H new ATOM 0 HG13 ILE A 135 6.459 2.801 -1.670 1.00 51.30 H new ATOM 0 HG21 ILE A 135 8.913 3.014 -1.963 1.00 25.43 H new ATOM 0 HG22 ILE A 135 9.627 4.556 -2.493 1.00 25.43 H new ATOM 0 HG23 ILE A 135 9.018 4.382 -0.830 1.00 25.43 H new ATOM 0 HD11 ILE A 135 5.579 3.612 0.462 1.00 74.43 H new ATOM 0 HD12 ILE A 135 7.345 3.819 0.399 1.00 74.43 H new ATOM 0 HD13 ILE A 135 6.276 5.220 0.156 1.00 74.43 H new ATOM 1998 N ARG A 136 9.311 7.448 -2.695 1.00 42.34 N ATOM 1999 CA ARG A 136 10.155 8.305 -3.492 1.00 63.11 C ATOM 2000 C ARG A 136 11.424 7.573 -3.870 1.00 10.21 C ATOM 2001 O ARG A 136 12.200 7.173 -3.000 1.00 52.11 O ATOM 2002 CB ARG A 136 10.493 9.573 -2.707 1.00 35.52 C ATOM 2003 CG ARG A 136 9.264 10.343 -2.251 1.00 43.21 C ATOM 2004 CD ARG A 136 9.551 11.152 -0.998 1.00 4.03 C ATOM 2005 NE ARG A 136 8.337 11.764 -0.451 1.00 3.21 N ATOM 2006 CZ ARG A 136 7.690 11.318 0.638 1.00 23.45 C ATOM 2007 NH1 ARG A 136 8.103 10.221 1.277 1.00 40.41 N ATOM 2008 NH2 ARG A 136 6.618 11.965 1.077 1.00 63.31 N ATOM 0 H ARG A 136 9.576 7.398 -1.711 1.00 42.34 H new ATOM 0 HA ARG A 136 9.625 8.583 -4.403 1.00 63.11 H new ATOM 0 HB2 ARG A 136 11.089 9.304 -1.835 1.00 35.52 H new ATOM 0 HB3 ARG A 136 11.111 10.222 -3.327 1.00 35.52 H new ATOM 0 HG2 ARG A 136 8.933 11.009 -3.048 1.00 43.21 H new ATOM 0 HG3 ARG A 136 8.448 9.647 -2.058 1.00 43.21 H new ATOM 0 HD2 ARG A 136 10.003 10.506 -0.245 1.00 4.03 H new ATOM 0 HD3 ARG A 136 10.278 11.931 -1.228 1.00 4.03 H new ATOM 0 HE ARG A 136 7.959 12.582 -0.929 1.00 3.21 H new ATOM 0 HH11 ARG A 136 8.919 9.711 0.939 1.00 40.41 H new ATOM 0 HH12 ARG A 136 7.602 9.893 2.103 1.00 40.41 H new ATOM 0 HH21 ARG A 136 6.289 12.797 0.588 1.00 63.31 H new ATOM 0 HH22 ARG A 136 6.123 11.630 1.904 1.00 63.31 H new ATOM 2022 N ALA A 137 11.613 7.386 -5.160 1.00 32.23 N ATOM 2023 CA ALA A 137 12.836 6.817 -5.673 1.00 74.53 C ATOM 2024 C ALA A 137 13.556 7.905 -6.438 1.00 72.14 C ATOM 2025 O ALA A 137 13.096 8.355 -7.487 1.00 35.53 O ATOM 2026 CB ALA A 137 12.543 5.610 -6.550 1.00 5.32 C ATOM 0 H ALA A 137 10.926 7.623 -5.876 1.00 32.23 H new ATOM 0 HA ALA A 137 13.467 6.459 -4.859 1.00 74.53 H new ATOM 0 HB1 ALA A 137 13.479 5.197 -6.926 1.00 5.32 H new ATOM 0 HB2 ALA A 137 12.022 4.853 -5.964 1.00 5.32 H new ATOM 0 HB3 ALA A 137 11.918 5.913 -7.390 1.00 5.32 H new ATOM 2032 N LEU A 138 14.662 8.359 -5.891 1.00 45.32 N ATOM 2033 CA LEU A 138 15.329 9.520 -6.425 1.00 72.20 C ATOM 2034 C LEU A 138 16.758 9.246 -6.804 1.00 42.23 C ATOM 2035 O LEU A 138 17.296 8.168 -6.559 1.00 31.33 O ATOM 2036 CB LEU A 138 15.250 10.707 -5.467 1.00 74.11 C ATOM 2037 CG LEU A 138 15.438 10.455 -3.969 1.00 24.45 C ATOM 2038 CD1 LEU A 138 16.880 10.147 -3.577 1.00 0.10 C ATOM 2039 CD2 LEU A 138 14.970 11.686 -3.275 1.00 2.52 C ATOM 0 H LEU A 138 15.116 7.941 -5.079 1.00 45.32 H new ATOM 0 HA LEU A 138 14.794 9.778 -7.339 1.00 72.20 H new ATOM 0 HB2 LEU A 138 16.002 11.433 -5.777 1.00 74.11 H new ATOM 0 HB3 LEU A 138 14.277 11.178 -5.604 1.00 74.11 H new ATOM 0 HG LEU A 138 14.869 9.570 -3.683 1.00 24.45 H new ATOM 0 HD11 LEU A 138 16.937 9.980 -2.501 1.00 0.10 H new ATOM 0 HD12 LEU A 138 17.217 9.253 -4.102 1.00 0.10 H new ATOM 0 HD13 LEU A 138 17.518 10.988 -3.848 1.00 0.10 H new ATOM 0 HD21 LEU A 138 15.082 11.561 -2.198 1.00 2.52 H new ATOM 0 HD22 LEU A 138 15.564 12.538 -3.605 1.00 2.52 H new ATOM 0 HD23 LEU A 138 13.921 11.861 -3.513 1.00 2.52 H new