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 180:sc= 0.00825 USER MOD Set 1.2: A 132 SER OG : rot -98:sc= 0.00981 USER MOD Set 2.1: A 89 THR OG1 : rot -170:sc= -0.43 USER MOD Set 2.2: A 124 ASN : amide:sc= -0.429 K(o=-0.86,f=-2.6) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 171:sc=-0.000117 (180deg=-0.105) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.0995 K(o=-0.099,f=-2.2!) 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 180:sc= 0 USER MOD Single : A 68 SER OG : rot -160:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc=0.000276 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0028 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 120:sc= -0.353 USER MOD Single : A 87 ASN : amide:sc= -0.132 K(o=-0.13,f=-0.72) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl 170:sc=-0.00421 (180deg=-0.144) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 110:sc= -0.0618 USER MOD Single : A 109 THR OG1 : rot -129:sc= -0.945 USER MOD Single : A 112 ASN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 116 TYR OH : rot -5:sc= 0.684 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 ASN : amide:sc= -0.183 K(o=-0.18,f=-0.99) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N ALA A 3 -38.336 55.418 100.414 1.00 10.24 N ATOM 35 CA ALA A 3 -39.131 56.263 99.539 1.00 14.23 C ATOM 36 C ALA A 3 -40.085 57.124 100.361 1.00 44.12 C ATOM 37 O ALA A 3 -40.942 56.596 101.077 1.00 62.42 O ATOM 38 CB ALA A 3 -39.900 55.404 98.548 1.00 41.33 C ATOM 0 HA ALA A 3 -38.467 56.925 98.983 1.00 14.23 H new ATOM 0 HB1 ALA A 3 -40.494 56.044 97.895 1.00 41.33 H new ATOM 0 HB2 ALA A 3 -39.199 54.825 97.948 1.00 41.33 H new ATOM 0 HB3 ALA A 3 -40.560 54.726 99.089 1.00 41.33 H new ATOM 44 N ARG A 4 -39.919 58.440 100.272 1.00 75.54 N ATOM 45 CA ARG A 4 -40.751 59.374 101.030 1.00 12.11 C ATOM 46 C ARG A 4 -42.022 59.718 100.270 1.00 2.02 C ATOM 47 O ARG A 4 -41.977 60.375 99.227 1.00 43.50 O ATOM 48 CB ARG A 4 -39.993 60.665 101.345 1.00 33.45 C ATOM 49 CG ARG A 4 -38.855 60.502 102.335 1.00 31.54 C ATOM 50 CD ARG A 4 -38.220 61.843 102.661 1.00 64.33 C ATOM 51 NE ARG A 4 -37.103 61.723 103.598 1.00 33.31 N ATOM 52 CZ ARG A 4 -36.461 62.758 104.144 1.00 45.51 C ATOM 53 NH1 ARG A 4 -36.850 64.009 103.901 1.00 73.04 N ATOM 54 NH2 ARG A 4 -35.430 62.545 104.946 1.00 43.03 N ATOM 0 H ARG A 4 -39.216 58.886 99.683 1.00 75.54 H new ATOM 0 HA ARG A 4 -41.014 58.878 101.964 1.00 12.11 H new ATOM 0 HB2 ARG A 4 -39.594 61.073 100.416 1.00 33.45 H new ATOM 0 HB3 ARG A 4 -40.697 61.398 101.738 1.00 33.45 H new ATOM 0 HG2 ARG A 4 -39.227 60.040 103.249 1.00 31.54 H new ATOM 0 HG3 ARG A 4 -38.103 59.830 101.922 1.00 31.54 H new ATOM 0 HD2 ARG A 4 -37.869 62.308 101.740 1.00 64.33 H new ATOM 0 HD3 ARG A 4 -38.975 62.505 103.084 1.00 64.33 H new ATOM 0 HE ARG A 4 -36.794 60.785 103.851 1.00 33.31 H new ATOM 0 HH11 ARG A 4 -37.648 64.186 103.291 1.00 73.04 H new ATOM 0 HH12 ARG A 4 -36.350 64.790 104.325 1.00 73.04 H new ATOM 0 HH21 ARG A 4 -35.128 61.592 105.146 1.00 43.03 H new ATOM 0 HH22 ARG A 4 -34.938 63.334 105.364 1.00 43.03 H new ATOM 68 N ASP A 5 -43.148 59.267 100.800 1.00 1.31 N ATOM 69 CA ASP A 5 -44.458 59.618 100.257 1.00 22.52 C ATOM 70 C ASP A 5 -44.870 60.989 100.771 1.00 65.40 C ATOM 71 O ASP A 5 -44.521 61.361 101.894 1.00 65.01 O ATOM 72 CB ASP A 5 -45.515 58.582 100.647 1.00 51.13 C ATOM 73 CG ASP A 5 -45.220 57.196 100.100 1.00 74.55 C ATOM 74 OD1 ASP A 5 -45.613 56.903 98.952 1.00 72.32 O ATOM 75 OD2 ASP A 5 -44.593 56.396 100.819 1.00 5.24 O ATOM 0 H ASP A 5 -43.184 58.652 101.613 1.00 1.31 H new ATOM 0 HA ASP A 5 -44.385 59.636 99.170 1.00 22.52 H new ATOM 0 HB2 ASP A 5 -45.582 58.531 101.734 1.00 51.13 H new ATOM 0 HB3 ASP A 5 -46.489 58.910 100.283 1.00 51.13 H new ATOM 80 N ASN A 6 -45.605 61.732 99.958 1.00 1.30 N ATOM 81 CA ASN A 6 -45.992 63.097 100.310 1.00 52.11 C ATOM 82 C ASN A 6 -47.272 63.090 101.141 1.00 24.14 C ATOM 83 O ASN A 6 -47.235 63.333 102.349 1.00 63.31 O ATOM 84 CB ASN A 6 -46.159 63.973 99.058 1.00 33.23 C ATOM 85 CG ASN A 6 -44.905 64.042 98.215 1.00 63.41 C ATOM 86 OD1 ASN A 6 -44.719 63.245 97.302 1.00 55.14 O ATOM 87 ND2 ASN A 6 -44.044 64.998 98.509 1.00 50.12 N ATOM 0 H ASN A 6 -45.947 61.417 99.050 1.00 1.30 H new ATOM 0 HA ASN A 6 -45.191 63.529 100.909 1.00 52.11 H new ATOM 0 HB2 ASN A 6 -46.976 63.581 98.453 1.00 33.23 H new ATOM 0 HB3 ASN A 6 -46.442 64.981 99.361 1.00 33.23 H new ATOM 0 HD21 ASN A 6 -43.185 65.095 97.968 1.00 50.12 H new ATOM 0 HD22 ASN A 6 -44.238 65.640 99.277 1.00 50.12 H new ATOM 94 N LYS A 7 -48.391 62.781 100.494 1.00 52.23 N ATOM 95 CA LYS A 7 -49.680 62.674 101.168 1.00 22.14 C ATOM 96 C LYS A 7 -50.477 61.527 100.560 1.00 45.41 C ATOM 97 O LYS A 7 -50.409 61.288 99.350 1.00 62.32 O ATOM 98 CB LYS A 7 -50.490 63.998 101.117 1.00 14.40 C ATOM 99 CG LYS A 7 -50.776 64.570 99.724 1.00 34.35 C ATOM 100 CD LYS A 7 -49.655 65.481 99.233 1.00 50.12 C ATOM 101 CE LYS A 7 -49.963 66.090 97.872 1.00 60.01 C ATOM 102 NZ LYS A 7 -51.126 67.020 97.924 1.00 74.12 N ATOM 0 H LYS A 7 -48.430 62.598 99.491 1.00 52.23 H new ATOM 0 HA LYS A 7 -49.490 62.470 102.222 1.00 22.14 H new ATOM 0 HB2 LYS A 7 -51.442 63.835 101.621 1.00 14.40 H new ATOM 0 HB3 LYS A 7 -49.950 64.751 101.691 1.00 14.40 H new ATOM 0 HG2 LYS A 7 -50.912 63.751 99.018 1.00 34.35 H new ATOM 0 HG3 LYS A 7 -51.712 65.129 99.748 1.00 34.35 H new ATOM 0 HD2 LYS A 7 -49.494 66.279 99.958 1.00 50.12 H new ATOM 0 HD3 LYS A 7 -48.727 64.912 99.173 1.00 50.12 H new ATOM 0 HE2 LYS A 7 -49.086 66.626 97.509 1.00 60.01 H new ATOM 0 HE3 LYS A 7 -50.168 65.293 97.157 1.00 60.01 H new ATOM 0 HZ1 LYS A 7 -51.207 67.526 97.019 1.00 74.12 H new ATOM 0 HZ2 LYS A 7 -51.997 66.478 98.096 1.00 74.12 H new ATOM 0 HZ3 LYS A 7 -50.988 67.706 98.693 1.00 74.12 H new ATOM 116 N PHE A 8 -51.211 60.806 101.401 1.00 21.33 N ATOM 117 CA PHE A 8 -51.988 59.662 100.949 1.00 51.13 C ATOM 118 C PHE A 8 -53.352 60.114 100.433 1.00 0.41 C ATOM 119 O PHE A 8 -54.221 60.512 101.213 1.00 52.12 O ATOM 120 CB PHE A 8 -52.152 58.629 102.078 1.00 54.41 C ATOM 121 CG PHE A 8 -52.888 57.381 101.659 1.00 44.24 C ATOM 122 CD1 PHE A 8 -52.307 56.485 100.778 1.00 40.43 C ATOM 123 CD2 PHE A 8 -54.161 57.112 102.138 1.00 2.52 C ATOM 124 CE1 PHE A 8 -52.977 55.346 100.384 1.00 71.52 C ATOM 125 CE2 PHE A 8 -54.835 55.974 101.748 1.00 34.53 C ATOM 126 CZ PHE A 8 -54.242 55.091 100.868 1.00 62.11 C ATOM 0 H PHE A 8 -51.283 60.996 102.401 1.00 21.33 H new ATOM 0 HA PHE A 8 -51.448 59.186 100.131 1.00 51.13 H new ATOM 0 HB2 PHE A 8 -51.166 58.351 102.449 1.00 54.41 H new ATOM 0 HB3 PHE A 8 -52.685 59.093 102.908 1.00 54.41 H new ATOM 0 HD1 PHE A 8 -51.317 56.681 100.394 1.00 40.43 H new ATOM 0 HD2 PHE A 8 -54.630 57.802 102.824 1.00 2.52 H new ATOM 0 HE1 PHE A 8 -52.511 54.655 99.697 1.00 71.52 H new ATOM 0 HE2 PHE A 8 -55.825 55.774 102.130 1.00 34.53 H new ATOM 0 HZ PHE A 8 -54.769 54.201 100.559 1.00 62.11 H new ATOM 136 N ASN A 9 -53.509 60.072 99.114 1.00 21.10 N ATOM 137 CA ASN A 9 -54.778 60.381 98.476 1.00 13.24 C ATOM 138 C ASN A 9 -54.862 59.674 97.130 1.00 62.23 C ATOM 139 O ASN A 9 -54.075 59.951 96.221 1.00 63.02 O ATOM 140 CB ASN A 9 -54.959 61.897 98.296 1.00 44.21 C ATOM 141 CG ASN A 9 -56.374 62.265 97.900 1.00 0.01 C ATOM 142 OD1 ASN A 9 -56.696 62.362 96.716 1.00 71.02 O ATOM 143 ND2 ASN A 9 -57.227 62.471 98.889 1.00 15.44 N ATOM 0 H ASN A 9 -52.764 59.824 98.463 1.00 21.10 H new ATOM 0 HA ASN A 9 -55.582 60.026 99.121 1.00 13.24 H new ATOM 0 HB2 ASN A 9 -54.701 62.404 99.226 1.00 44.21 H new ATOM 0 HB3 ASN A 9 -54.266 62.255 97.534 1.00 44.21 H new ATOM 0 HD21 ASN A 9 -58.194 62.721 98.684 1.00 15.44 H new ATOM 0 HD22 ASN A 9 -56.918 62.380 99.857 1.00 15.44 H new ATOM 150 N THR A 10 -55.796 58.742 97.032 1.00 34.55 N ATOM 151 CA THR A 10 -56.059 58.033 95.797 1.00 11.33 C ATOM 152 C THR A 10 -57.575 57.961 95.538 1.00 4.14 C ATOM 153 O THR A 10 -58.303 57.119 96.074 1.00 23.10 O ATOM 154 CB THR A 10 -55.364 56.627 95.771 1.00 2.01 C ATOM 155 OG1 THR A 10 -55.799 55.857 94.643 1.00 2.04 O ATOM 156 CG2 THR A 10 -55.582 55.826 97.056 1.00 4.11 C ATOM 0 H THR A 10 -56.392 58.458 97.809 1.00 34.55 H new ATOM 0 HA THR A 10 -55.615 58.592 94.973 1.00 11.33 H new ATOM 0 HB THR A 10 -54.295 56.825 95.687 1.00 2.01 H new ATOM 0 HG1 THR A 10 -55.350 54.986 94.649 1.00 2.04 H new ATOM 0 HG21 THR A 10 -55.077 54.864 96.975 1.00 4.11 H new ATOM 0 HG22 THR A 10 -55.176 56.379 97.903 1.00 4.11 H new ATOM 0 HG23 THR A 10 -56.649 55.664 97.207 1.00 4.11 H new ATOM 164 N TRP A 11 -58.049 58.912 94.745 1.00 54.44 N ATOM 165 CA TRP A 11 -59.455 59.010 94.411 1.00 63.43 C ATOM 166 C TRP A 11 -59.625 59.132 92.900 1.00 54.24 C ATOM 167 O TRP A 11 -59.120 60.072 92.278 1.00 5.34 O ATOM 168 CB TRP A 11 -60.087 60.211 95.141 1.00 30.01 C ATOM 169 CG TRP A 11 -61.531 60.467 94.798 1.00 73.54 C ATOM 170 CD1 TRP A 11 -62.039 61.578 94.186 1.00 55.35 C ATOM 171 CD2 TRP A 11 -62.647 59.593 95.022 1.00 12.11 C ATOM 172 NE1 TRP A 11 -63.394 61.450 94.022 1.00 13.12 N ATOM 173 CE2 TRP A 11 -63.796 60.249 94.536 1.00 13.33 C ATOM 174 CE3 TRP A 11 -62.790 58.336 95.606 1.00 3.24 C ATOM 175 CZ2 TRP A 11 -65.061 59.673 94.589 1.00 61.30 C ATOM 176 CZ3 TRP A 11 -64.043 57.769 95.661 1.00 24.32 C ATOM 177 CH2 TRP A 11 -65.166 58.439 95.167 1.00 41.54 C ATOM 0 H TRP A 11 -57.468 59.634 94.318 1.00 54.44 H new ATOM 0 HA TRP A 11 -59.968 58.106 94.738 1.00 63.43 H new ATOM 0 HB2 TRP A 11 -60.006 60.049 96.216 1.00 30.01 H new ATOM 0 HB3 TRP A 11 -59.509 61.105 94.909 1.00 30.01 H new ATOM 0 HD1 TRP A 11 -61.457 62.433 93.876 1.00 55.35 H new ATOM 0 HE1 TRP A 11 -64.005 62.141 93.586 1.00 13.12 H new ATOM 0 HE3 TRP A 11 -61.933 57.816 96.008 1.00 3.24 H new ATOM 0 HZ2 TRP A 11 -65.926 60.181 94.189 1.00 61.30 H new ATOM 0 HZ3 TRP A 11 -64.161 56.787 96.094 1.00 24.32 H new ATOM 0 HH2 TRP A 11 -66.137 57.972 95.244 1.00 41.54 H new ATOM 188 N ASN A 12 -60.329 58.166 92.329 1.00 13.24 N ATOM 189 CA ASN A 12 -60.632 58.152 90.908 1.00 13.34 C ATOM 190 C ASN A 12 -62.100 57.798 90.704 1.00 3.23 C ATOM 191 O ASN A 12 -62.550 56.733 91.127 1.00 40.40 O ATOM 192 CB ASN A 12 -59.733 57.138 90.171 1.00 33.21 C ATOM 193 CG ASN A 12 -59.955 57.118 88.660 1.00 75.42 C ATOM 194 OD1 ASN A 12 -60.778 56.360 88.144 1.00 32.54 O ATOM 195 ND2 ASN A 12 -59.219 57.948 87.942 1.00 40.34 N ATOM 0 H ASN A 12 -60.707 57.368 92.840 1.00 13.24 H new ATOM 0 HA ASN A 12 -60.438 59.142 90.496 1.00 13.34 H new ATOM 0 HB2 ASN A 12 -58.689 57.374 90.374 1.00 33.21 H new ATOM 0 HB3 ASN A 12 -59.918 56.141 90.571 1.00 33.21 H new ATOM 0 HD21 ASN A 12 -59.323 57.975 86.928 1.00 40.34 H new ATOM 0 HD22 ASN A 12 -58.547 58.562 88.402 1.00 40.34 H new ATOM 202 N ASP A 13 -62.840 58.696 90.071 1.00 31.42 N ATOM 203 CA ASP A 13 -64.243 58.448 89.758 1.00 33.14 C ATOM 204 C ASP A 13 -64.577 59.026 88.386 1.00 61.25 C ATOM 205 O ASP A 13 -64.442 60.232 88.153 1.00 73.12 O ATOM 206 CB ASP A 13 -65.153 59.035 90.842 1.00 5.51 C ATOM 207 CG ASP A 13 -66.608 58.677 90.635 1.00 3.14 C ATOM 208 OD1 ASP A 13 -66.943 57.478 90.675 1.00 22.54 O ATOM 209 OD2 ASP A 13 -67.422 59.594 90.413 1.00 60.24 O ATOM 0 H ASP A 13 -62.494 59.605 89.763 1.00 31.42 H new ATOM 0 HA ASP A 13 -64.415 57.372 89.732 1.00 33.14 H new ATOM 0 HB2 ASP A 13 -64.829 58.674 91.818 1.00 5.51 H new ATOM 0 HB3 ASP A 13 -65.047 60.120 90.852 1.00 5.51 H new ATOM 214 N SER A 14 -64.995 58.149 87.487 1.00 5.24 N ATOM 215 CA SER A 14 -65.276 58.518 86.109 1.00 53.02 C ATOM 216 C SER A 14 -66.774 58.668 85.892 1.00 54.53 C ATOM 217 O SER A 14 -67.562 57.845 86.362 1.00 25.33 O ATOM 218 CB SER A 14 -64.735 57.449 85.162 1.00 43.24 C ATOM 219 OG SER A 14 -64.689 57.917 83.829 1.00 14.32 O ATOM 0 H SER A 14 -65.149 57.162 87.692 1.00 5.24 H new ATOM 0 HA SER A 14 -64.789 59.471 85.903 1.00 53.02 H new ATOM 0 HB2 SER A 14 -63.736 57.151 85.480 1.00 43.24 H new ATOM 0 HB3 SER A 14 -65.364 56.561 85.216 1.00 43.24 H new ATOM 0 HG SER A 14 -64.337 57.212 83.247 1.00 14.32 H new ATOM 225 N ARG A 15 -67.160 59.702 85.164 1.00 43.05 N ATOM 226 CA ARG A 15 -68.563 59.928 84.844 1.00 30.40 C ATOM 227 C ARG A 15 -68.859 59.467 83.417 1.00 2.10 C ATOM 228 O ARG A 15 -67.944 59.085 82.675 1.00 52.21 O ATOM 229 CB ARG A 15 -68.921 61.415 84.994 1.00 12.41 C ATOM 230 CG ARG A 15 -68.457 62.045 86.301 1.00 33.34 C ATOM 231 CD ARG A 15 -68.846 63.513 86.390 1.00 31.04 C ATOM 232 NE ARG A 15 -68.347 64.295 85.253 1.00 10.01 N ATOM 233 CZ ARG A 15 -67.771 65.497 85.349 1.00 53.12 C ATOM 234 NH1 ARG A 15 -67.593 66.072 86.534 1.00 24.03 N ATOM 235 NH2 ARG A 15 -67.392 66.135 84.251 1.00 51.52 N ATOM 0 H ARG A 15 -66.522 60.400 84.782 1.00 43.05 H new ATOM 0 HA ARG A 15 -69.170 59.350 85.541 1.00 30.40 H new ATOM 0 HB2 ARG A 15 -68.483 61.967 84.163 1.00 12.41 H new ATOM 0 HB3 ARG A 15 -70.003 61.526 84.915 1.00 12.41 H new ATOM 0 HG2 ARG A 15 -68.892 61.502 87.140 1.00 33.34 H new ATOM 0 HG3 ARG A 15 -67.374 61.950 86.386 1.00 33.34 H new ATOM 0 HD2 ARG A 15 -69.932 63.596 86.436 1.00 31.04 H new ATOM 0 HD3 ARG A 15 -68.455 63.934 87.316 1.00 31.04 H new ATOM 0 HE ARG A 15 -68.447 63.892 84.321 1.00 10.01 H new ATOM 0 HH11 ARG A 15 -67.897 65.595 87.383 1.00 24.03 H new ATOM 0 HH12 ARG A 15 -67.152 66.990 86.594 1.00 24.03 H new ATOM 0 HH21 ARG A 15 -67.540 65.708 83.336 1.00 51.52 H new ATOM 0 HH22 ARG A 15 -66.952 67.053 84.320 1.00 51.52 H new ATOM 249 N GLY A 16 -70.135 59.492 83.045 1.00 63.11 N ATOM 250 CA GLY A 16 -70.529 59.140 81.696 1.00 24.42 C ATOM 251 C GLY A 16 -71.480 57.962 81.646 1.00 72.14 C ATOM 252 O GLY A 16 -71.111 56.840 82.013 1.00 13.23 O ATOM 0 H GLY A 16 -70.907 59.752 83.660 1.00 63.11 H new ATOM 0 HA2 GLY A 16 -71.002 60.002 81.225 1.00 24.42 H new ATOM 0 HA3 GLY A 16 -69.639 58.906 81.113 1.00 24.42 H new ATOM 256 N ASN A 17 -72.699 58.223 81.183 1.00 5.34 N ATOM 257 CA ASN A 17 -73.708 57.184 81.036 1.00 54.20 C ATOM 258 C ASN A 17 -74.243 57.147 79.599 1.00 25.21 C ATOM 259 O ASN A 17 -73.858 57.982 78.769 1.00 32.31 O ATOM 260 CB ASN A 17 -74.849 57.375 82.070 1.00 44.34 C ATOM 261 CG ASN A 17 -75.596 58.713 82.001 1.00 52.00 C ATOM 262 OD1 ASN A 17 -75.828 59.291 80.937 1.00 31.14 O ATOM 263 ND2 ASN A 17 -75.979 59.219 83.162 1.00 71.45 N ATOM 0 H ASN A 17 -73.011 59.152 80.902 1.00 5.34 H new ATOM 0 HA ASN A 17 -73.244 56.219 81.237 1.00 54.20 H new ATOM 0 HB2 ASN A 17 -75.572 56.570 81.938 1.00 44.34 H new ATOM 0 HB3 ASN A 17 -74.429 57.266 83.070 1.00 44.34 H new ATOM 0 HD21 ASN A 17 -76.479 60.108 83.191 1.00 71.45 H new ATOM 0 HD22 ASN A 17 -75.774 58.720 84.028 1.00 71.45 H new ATOM 270 N TYR A 18 -75.113 56.185 79.310 1.00 2.44 N ATOM 271 CA TYR A 18 -75.744 56.081 78.000 1.00 41.45 C ATOM 272 C TYR A 18 -77.156 55.525 78.145 1.00 51.40 C ATOM 273 O TYR A 18 -77.376 54.513 78.820 1.00 63.12 O ATOM 274 CB TYR A 18 -74.891 55.245 77.006 1.00 44.20 C ATOM 275 CG TYR A 18 -74.500 53.849 77.470 1.00 22.44 C ATOM 276 CD1 TYR A 18 -75.311 52.751 77.205 1.00 53.01 C ATOM 277 CD2 TYR A 18 -73.310 53.628 78.155 1.00 63.35 C ATOM 278 CE1 TYR A 18 -74.956 51.482 77.616 1.00 4.10 C ATOM 279 CE2 TYR A 18 -72.950 52.362 78.571 1.00 30.53 C ATOM 280 CZ TYR A 18 -73.774 51.292 78.296 1.00 62.02 C ATOM 281 OH TYR A 18 -73.414 50.030 78.710 1.00 14.34 O ATOM 0 H TYR A 18 -75.398 55.462 79.970 1.00 2.44 H new ATOM 0 HA TYR A 18 -75.811 57.082 77.574 1.00 41.45 H new ATOM 0 HB2 TYR A 18 -75.444 55.154 76.071 1.00 44.20 H new ATOM 0 HB3 TYR A 18 -73.980 55.801 76.784 1.00 44.20 H new ATOM 0 HD1 TYR A 18 -76.237 52.894 76.667 1.00 53.01 H new ATOM 0 HD2 TYR A 18 -72.656 54.461 78.365 1.00 63.35 H new ATOM 0 HE1 TYR A 18 -75.602 50.643 77.405 1.00 4.10 H new ATOM 0 HE2 TYR A 18 -72.026 52.211 79.110 1.00 30.53 H new ATOM 0 HH TYR A 18 -72.552 50.071 79.174 1.00 14.34 H new ATOM 291 N TRP A 19 -78.126 56.217 77.562 1.00 23.15 N ATOM 292 CA TRP A 19 -79.518 55.777 77.604 1.00 1.21 C ATOM 293 C TRP A 19 -79.997 55.461 76.199 1.00 63.13 C ATOM 294 O TRP A 19 -79.711 56.209 75.259 1.00 33.43 O ATOM 295 CB TRP A 19 -80.415 56.840 78.253 1.00 41.11 C ATOM 296 CG TRP A 19 -80.017 57.200 79.658 1.00 61.43 C ATOM 297 CD1 TRP A 19 -79.549 56.355 80.624 1.00 14.54 C ATOM 298 CD2 TRP A 19 -80.074 58.496 80.259 1.00 1.24 C ATOM 299 NE1 TRP A 19 -79.289 57.049 81.774 1.00 13.23 N ATOM 300 CE2 TRP A 19 -79.619 58.362 81.583 1.00 54.54 C ATOM 301 CE3 TRP A 19 -80.472 59.757 79.810 1.00 61.33 C ATOM 302 CZ2 TRP A 19 -79.529 59.443 82.453 1.00 12.04 C ATOM 303 CZ3 TRP A 19 -80.393 60.827 80.677 1.00 0.14 C ATOM 304 CH2 TRP A 19 -79.933 60.662 81.987 1.00 21.34 C ATOM 0 H TRP A 19 -77.976 57.088 77.053 1.00 23.15 H new ATOM 0 HA TRP A 19 -79.579 54.876 78.214 1.00 1.21 H new ATOM 0 HB2 TRP A 19 -80.397 57.740 77.639 1.00 41.11 H new ATOM 0 HB3 TRP A 19 -81.443 56.479 78.259 1.00 41.11 H new ATOM 0 HD1 TRP A 19 -79.405 55.292 80.498 1.00 14.54 H new ATOM 0 HE1 TRP A 19 -78.911 56.652 82.634 1.00 13.23 H new ATOM 0 HE3 TRP A 19 -80.835 59.892 78.802 1.00 61.33 H new ATOM 0 HZ2 TRP A 19 -79.154 59.323 83.459 1.00 12.04 H new ATOM 0 HZ3 TRP A 19 -80.691 61.808 80.338 1.00 0.14 H new ATOM 0 HH2 TRP A 19 -79.896 61.517 82.645 1.00 21.34 H new ATOM 315 N SER A 20 -80.719 54.355 76.063 1.00 24.21 N ATOM 316 CA SER A 20 -81.101 53.827 74.761 1.00 32.05 C ATOM 317 C SER A 20 -82.554 53.345 74.791 1.00 52.32 C ATOM 318 O SER A 20 -83.034 52.871 75.829 1.00 75.34 O ATOM 319 CB SER A 20 -80.147 52.679 74.387 1.00 21.03 C ATOM 320 OG SER A 20 -80.399 52.178 73.085 1.00 35.41 O ATOM 0 H SER A 20 -81.055 53.801 76.851 1.00 24.21 H new ATOM 0 HA SER A 20 -81.026 54.611 74.008 1.00 32.05 H new ATOM 0 HB2 SER A 20 -79.117 53.030 74.446 1.00 21.03 H new ATOM 0 HB3 SER A 20 -80.251 51.872 75.112 1.00 21.03 H new ATOM 0 HG SER A 20 -79.771 51.452 72.887 1.00 35.41 H new ATOM 326 N ASP A 21 -83.245 53.477 73.656 1.00 23.32 N ATOM 327 CA ASP A 21 -84.627 53.025 73.524 1.00 4.33 C ATOM 328 C ASP A 21 -84.756 52.170 72.248 1.00 1.23 C ATOM 329 O ASP A 21 -83.773 51.981 71.518 1.00 63.24 O ATOM 330 CB ASP A 21 -85.581 54.234 73.474 1.00 43.13 C ATOM 331 CG ASP A 21 -86.945 53.928 74.065 1.00 2.44 C ATOM 332 OD1 ASP A 21 -87.101 54.056 75.294 1.00 22.11 O ATOM 333 OD2 ASP A 21 -87.859 53.543 73.309 1.00 34.41 O ATOM 0 H ASP A 21 -82.863 53.898 72.809 1.00 23.32 H new ATOM 0 HA ASP A 21 -84.901 52.419 74.388 1.00 4.33 H new ATOM 0 HB2 ASP A 21 -85.134 55.067 74.016 1.00 43.13 H new ATOM 0 HB3 ASP A 21 -85.701 54.554 72.439 1.00 43.13 H new ATOM 338 N TYR A 22 -85.946 51.643 71.991 1.00 54.31 N ATOM 339 CA TYR A 22 -86.185 50.775 70.852 1.00 54.31 C ATOM 340 C TYR A 22 -87.458 51.184 70.107 1.00 2.31 C ATOM 341 O TYR A 22 -88.546 51.234 70.684 1.00 60.21 O ATOM 342 CB TYR A 22 -86.219 49.286 71.282 1.00 75.21 C ATOM 343 CG TYR A 22 -87.177 48.923 72.409 1.00 22.45 C ATOM 344 CD1 TYR A 22 -86.832 49.125 73.741 1.00 74.13 C ATOM 345 CD2 TYR A 22 -88.421 48.366 72.139 1.00 65.01 C ATOM 346 CE1 TYR A 22 -87.698 48.791 74.762 1.00 5.33 C ATOM 347 CE2 TYR A 22 -89.291 48.033 73.158 1.00 22.01 C ATOM 348 CZ TYR A 22 -88.924 48.248 74.466 1.00 23.22 C ATOM 349 OH TYR A 22 -89.793 47.920 75.480 1.00 0.44 O ATOM 0 H TYR A 22 -86.771 51.807 72.568 1.00 54.31 H new ATOM 0 HA TYR A 22 -85.353 50.890 70.157 1.00 54.31 H new ATOM 0 HB2 TYR A 22 -86.476 48.685 70.410 1.00 75.21 H new ATOM 0 HB3 TYR A 22 -85.213 48.995 71.584 1.00 75.21 H new ATOM 0 HD1 TYR A 22 -85.869 49.551 73.981 1.00 74.13 H new ATOM 0 HD2 TYR A 22 -88.712 48.190 71.114 1.00 65.01 H new ATOM 0 HE1 TYR A 22 -87.413 48.956 75.790 1.00 5.33 H new ATOM 0 HE2 TYR A 22 -90.256 47.605 72.929 1.00 22.01 H new ATOM 0 HH TYR A 22 -90.616 47.548 75.098 1.00 0.44 H new ATOM 848 N PRO A 59 -21.309 -1.373 14.297 1.00 10.22 N ATOM 849 CA PRO A 59 -20.136 -2.188 13.997 1.00 73.24 C ATOM 850 C PRO A 59 -18.899 -1.326 13.761 1.00 74.22 C ATOM 851 O PRO A 59 -18.972 -0.092 13.764 1.00 74.02 O ATOM 852 CB PRO A 59 -20.516 -2.947 12.714 1.00 64.21 C ATOM 853 CG PRO A 59 -21.889 -2.490 12.333 1.00 64.34 C ATOM 854 CD PRO A 59 -22.191 -1.250 13.127 1.00 73.44 C ATOM 0 HA PRO A 59 -19.883 -2.852 14.823 1.00 73.24 H new ATOM 0 HB2 PRO A 59 -19.804 -2.738 11.916 1.00 64.21 H new ATOM 0 HB3 PRO A 59 -20.500 -4.024 12.882 1.00 64.21 H new ATOM 0 HG2 PRO A 59 -21.941 -2.283 11.264 1.00 64.34 H new ATOM 0 HG3 PRO A 59 -22.624 -3.268 12.543 1.00 64.34 H new ATOM 0 HD2 PRO A 59 -21.979 -0.346 12.557 1.00 73.44 H new ATOM 0 HD3 PRO A 59 -23.241 -1.204 13.418 1.00 73.44 H new ATOM 862 N VAL A 60 -17.771 -1.968 13.535 1.00 33.12 N ATOM 863 CA VAL A 60 -16.539 -1.252 13.278 1.00 21.33 C ATOM 864 C VAL A 60 -16.192 -1.336 11.780 1.00 54.24 C ATOM 865 O VAL A 60 -16.513 -2.319 11.108 1.00 24.01 O ATOM 866 CB VAL A 60 -15.384 -1.780 14.188 1.00 31.03 C ATOM 867 CG1 VAL A 60 -14.931 -3.180 13.797 1.00 34.12 C ATOM 868 CG2 VAL A 60 -14.200 -0.818 14.223 1.00 33.05 C ATOM 0 H VAL A 60 -17.682 -2.984 13.524 1.00 33.12 H new ATOM 0 HA VAL A 60 -16.674 -0.200 13.530 1.00 21.33 H new ATOM 0 HB VAL A 60 -15.796 -1.840 15.195 1.00 31.03 H new ATOM 0 HG11 VAL A 60 -14.127 -3.501 14.460 1.00 34.12 H new ATOM 0 HG12 VAL A 60 -15.770 -3.871 13.883 1.00 34.12 H new ATOM 0 HG13 VAL A 60 -14.572 -3.172 12.768 1.00 34.12 H new ATOM 0 HG21 VAL A 60 -13.420 -1.224 14.867 1.00 33.05 H new ATOM 0 HG22 VAL A 60 -13.807 -0.688 13.215 1.00 33.05 H new ATOM 0 HG23 VAL A 60 -14.526 0.146 14.612 1.00 33.05 H new ATOM 878 N LEU A 61 -15.623 -0.260 11.252 1.00 51.04 N ATOM 879 CA LEU A 61 -15.100 -0.244 9.892 1.00 52.13 C ATOM 880 C LEU A 61 -13.602 -0.611 9.925 1.00 61.31 C ATOM 881 O LEU A 61 -13.026 -0.648 11.008 1.00 1.50 O ATOM 882 CB LEU A 61 -15.390 1.119 9.150 1.00 0.12 C ATOM 883 CG LEU A 61 -15.176 2.513 9.841 1.00 25.11 C ATOM 884 CD1 LEU A 61 -16.232 2.809 10.893 1.00 21.21 C ATOM 885 CD2 LEU A 61 -13.785 2.682 10.441 1.00 11.43 C ATOM 0 H LEU A 61 -15.511 0.622 11.752 1.00 51.04 H new ATOM 0 HA LEU A 61 -15.623 -0.995 9.300 1.00 52.13 H new ATOM 0 HB2 LEU A 61 -14.779 1.120 8.248 1.00 0.12 H new ATOM 0 HB3 LEU A 61 -16.431 1.085 8.830 1.00 0.12 H new ATOM 0 HG LEU A 61 -15.278 3.239 9.035 1.00 25.11 H new ATOM 0 HD11 LEU A 61 -16.037 3.784 11.340 1.00 21.21 H new ATOM 0 HD12 LEU A 61 -17.218 2.813 10.428 1.00 21.21 H new ATOM 0 HD13 LEU A 61 -16.199 2.042 11.667 1.00 21.21 H new ATOM 0 HD21 LEU A 61 -13.705 3.666 10.902 1.00 11.43 H new ATOM 0 HD22 LEU A 61 -13.618 1.913 11.195 1.00 11.43 H new ATOM 0 HD23 LEU A 61 -13.036 2.587 9.655 1.00 11.43 H new ATOM 897 N PRO A 62 -12.931 -0.928 8.788 1.00 31.14 N ATOM 898 CA PRO A 62 -11.499 -1.215 8.815 1.00 23.41 C ATOM 899 C PRO A 62 -10.612 0.022 8.908 1.00 34.13 C ATOM 900 O PRO A 62 -11.074 1.166 8.935 1.00 73.15 O ATOM 901 CB PRO A 62 -11.226 -1.892 7.486 1.00 73.12 C ATOM 902 CG PRO A 62 -12.287 -1.399 6.565 1.00 53.33 C ATOM 903 CD PRO A 62 -13.487 -1.099 7.425 1.00 0.14 C ATOM 0 HA PRO A 62 -11.267 -1.810 9.699 1.00 23.41 H new ATOM 0 HB2 PRO A 62 -10.234 -1.639 7.113 1.00 73.12 H new ATOM 0 HB3 PRO A 62 -11.263 -2.977 7.583 1.00 73.12 H new ATOM 0 HG2 PRO A 62 -11.957 -0.507 6.033 1.00 53.33 H new ATOM 0 HG3 PRO A 62 -12.527 -2.149 5.811 1.00 53.33 H new ATOM 0 HD2 PRO A 62 -14.001 -0.198 7.090 1.00 0.14 H new ATOM 0 HD3 PRO A 62 -14.213 -1.911 7.391 1.00 0.14 H new ATOM 911 N THR A 63 -9.323 -0.252 8.931 1.00 20.44 N ATOM 912 CA THR A 63 -8.299 0.752 8.891 1.00 44.31 C ATOM 913 C THR A 63 -7.173 0.245 7.999 1.00 72.41 C ATOM 914 O THR A 63 -6.589 -0.814 8.266 1.00 51.32 O ATOM 915 CB THR A 63 -7.779 1.086 10.309 1.00 1.42 C ATOM 916 OG1 THR A 63 -8.807 1.721 11.071 1.00 4.44 O ATOM 917 CG2 THR A 63 -6.582 1.999 10.246 1.00 63.34 C ATOM 0 H THR A 63 -8.958 -1.203 8.979 1.00 20.44 H new ATOM 0 HA THR A 63 -8.708 1.677 8.484 1.00 44.31 H new ATOM 0 HB THR A 63 -7.486 0.151 10.786 1.00 1.42 H new ATOM 0 HG1 THR A 63 -8.470 1.927 11.968 1.00 4.44 H new ATOM 0 HG21 THR A 63 -6.237 2.217 11.257 1.00 63.34 H new ATOM 0 HG22 THR A 63 -5.782 1.513 9.687 1.00 63.34 H new ATOM 0 HG23 THR A 63 -6.859 2.928 9.748 1.00 63.34 H new ATOM 925 N ALA A 64 -6.913 0.975 6.927 1.00 72.54 N ATOM 926 CA ALA A 64 -5.859 0.636 5.994 1.00 71.24 C ATOM 927 C ALA A 64 -4.516 1.083 6.528 1.00 11.25 C ATOM 928 O ALA A 64 -4.193 2.272 6.531 1.00 72.20 O ATOM 929 CB ALA A 64 -6.129 1.272 4.647 1.00 22.20 C ATOM 0 H ALA A 64 -7.429 1.820 6.682 1.00 72.54 H new ATOM 0 HA ALA A 64 -5.838 -0.447 5.871 1.00 71.24 H new ATOM 0 HB1 ALA A 64 -5.330 1.010 3.954 1.00 22.20 H new ATOM 0 HB2 ALA A 64 -7.080 0.909 4.258 1.00 22.20 H new ATOM 0 HB3 ALA A 64 -6.172 2.355 4.758 1.00 22.20 H new ATOM 935 N ARG A 65 -3.747 0.125 7.003 1.00 74.54 N ATOM 936 CA ARG A 65 -2.427 0.397 7.519 1.00 3.24 C ATOM 937 C ARG A 65 -1.434 -0.492 6.827 1.00 21.25 C ATOM 938 O ARG A 65 -1.681 -1.679 6.627 1.00 23.25 O ATOM 939 CB ARG A 65 -2.349 0.200 9.045 1.00 24.45 C ATOM 940 CG ARG A 65 -3.027 1.296 9.848 1.00 41.21 C ATOM 941 CD ARG A 65 -2.445 2.670 9.537 1.00 71.13 C ATOM 942 NE ARG A 65 -3.152 3.744 10.238 1.00 44.03 N ATOM 943 CZ ARG A 65 -3.921 4.666 9.641 1.00 71.10 C ATOM 944 NH1 ARG A 65 -4.139 4.635 8.324 1.00 74.51 N ATOM 945 NH2 ARG A 65 -4.476 5.623 10.368 1.00 50.12 N ATOM 0 H ARG A 65 -4.020 -0.857 7.041 1.00 74.54 H new ATOM 0 HA ARG A 65 -2.193 1.443 7.321 1.00 3.24 H new ATOM 0 HB2 ARG A 65 -2.804 -0.757 9.301 1.00 24.45 H new ATOM 0 HB3 ARG A 65 -1.301 0.144 9.340 1.00 24.45 H new ATOM 0 HG2 ARG A 65 -4.095 1.297 9.632 1.00 41.21 H new ATOM 0 HG3 ARG A 65 -2.917 1.087 10.912 1.00 41.21 H new ATOM 0 HD2 ARG A 65 -1.392 2.688 9.817 1.00 71.13 H new ATOM 0 HD3 ARG A 65 -2.492 2.848 8.463 1.00 71.13 H new ATOM 0 HE ARG A 65 -3.052 3.794 11.252 1.00 44.03 H new ATOM 0 HH11 ARG A 65 -3.718 3.901 7.754 1.00 74.51 H new ATOM 0 HH12 ARG A 65 -4.727 5.345 7.888 1.00 74.51 H new ATOM 0 HH21 ARG A 65 -4.317 5.655 11.375 1.00 50.12 H new ATOM 0 HH22 ARG A 65 -5.062 6.328 9.921 1.00 50.12 H new ATOM 959 N PHE A 66 -0.344 0.104 6.412 1.00 52.54 N ATOM 960 CA PHE A 66 0.706 -0.607 5.724 1.00 34.21 C ATOM 961 C PHE A 66 1.993 0.184 5.844 1.00 1.04 C ATOM 962 O PHE A 66 1.976 1.418 5.860 1.00 33.30 O ATOM 963 CB PHE A 66 0.348 -0.868 4.235 1.00 70.41 C ATOM 964 CG PHE A 66 0.279 0.348 3.339 1.00 43.14 C ATOM 965 CD1 PHE A 66 -0.676 1.336 3.532 1.00 15.52 C ATOM 966 CD2 PHE A 66 1.169 0.487 2.288 1.00 74.43 C ATOM 967 CE1 PHE A 66 -0.735 2.430 2.704 1.00 74.01 C ATOM 968 CE2 PHE A 66 1.108 1.580 1.455 1.00 23.11 C ATOM 969 CZ PHE A 66 0.155 2.552 1.665 1.00 3.33 C ATOM 0 H PHE A 66 -0.159 1.099 6.542 1.00 52.54 H new ATOM 0 HA PHE A 66 0.832 -1.585 6.189 1.00 34.21 H new ATOM 0 HB2 PHE A 66 1.085 -1.556 3.822 1.00 70.41 H new ATOM 0 HB3 PHE A 66 -0.616 -1.375 4.199 1.00 70.41 H new ATOM 0 HD1 PHE A 66 -1.382 1.243 4.344 1.00 15.52 H new ATOM 0 HD2 PHE A 66 1.920 -0.271 2.120 1.00 74.43 H new ATOM 0 HE1 PHE A 66 -1.480 3.194 2.870 1.00 74.01 H new ATOM 0 HE2 PHE A 66 1.807 1.676 0.637 1.00 23.11 H new ATOM 0 HZ PHE A 66 0.108 3.411 1.012 1.00 3.33 H new ATOM 979 N THR A 67 3.097 -0.513 5.970 1.00 72.43 N ATOM 980 CA THR A 67 4.382 0.142 5.922 1.00 3.20 C ATOM 981 C THR A 67 5.271 -0.511 4.867 1.00 3.24 C ATOM 982 O THR A 67 5.266 -1.736 4.681 1.00 54.41 O ATOM 983 CB THR A 67 5.066 0.209 7.325 1.00 25.53 C ATOM 984 OG1 THR A 67 6.361 0.809 7.227 1.00 71.34 O ATOM 985 CG2 THR A 67 5.189 -1.161 7.979 1.00 71.24 C ATOM 0 H THR A 67 3.132 -1.523 6.105 1.00 72.43 H new ATOM 0 HA THR A 67 4.222 1.179 5.625 1.00 3.20 H new ATOM 0 HB THR A 67 4.423 0.823 7.955 1.00 25.53 H new ATOM 0 HG1 THR A 67 6.773 0.844 8.115 1.00 71.34 H new ATOM 0 HG21 THR A 67 5.671 -1.058 8.951 1.00 71.24 H new ATOM 0 HG22 THR A 67 4.196 -1.592 8.110 1.00 71.24 H new ATOM 0 HG23 THR A 67 5.788 -1.815 7.345 1.00 71.24 H new ATOM 993 N SER A 68 5.963 0.341 4.128 1.00 5.50 N ATOM 994 CA SER A 68 6.935 -0.084 3.142 1.00 65.34 C ATOM 995 C SER A 68 8.302 -0.177 3.810 1.00 25.54 C ATOM 996 O SER A 68 8.499 0.388 4.892 1.00 72.21 O ATOM 997 CB SER A 68 6.978 0.923 1.989 1.00 61.31 C ATOM 998 OG SER A 68 5.675 1.193 1.498 1.00 75.33 O ATOM 0 H SER A 68 5.863 1.354 4.198 1.00 5.50 H new ATOM 0 HA SER A 68 6.657 -1.059 2.741 1.00 65.34 H new ATOM 0 HB2 SER A 68 7.441 1.849 2.328 1.00 61.31 H new ATOM 0 HB3 SER A 68 7.600 0.532 1.184 1.00 61.31 H new ATOM 0 HG SER A 68 5.737 1.567 0.594 1.00 75.33 H new ATOM 1004 N ASP A 69 9.226 -0.906 3.191 1.00 10.41 N ATOM 1005 CA ASP A 69 10.599 -0.981 3.685 1.00 61.42 C ATOM 1006 C ASP A 69 11.264 0.386 3.592 1.00 44.20 C ATOM 1007 O ASP A 69 11.705 0.937 4.605 1.00 13.15 O ATOM 1008 CB ASP A 69 11.405 -2.017 2.904 1.00 24.44 C ATOM 1009 CG ASP A 69 12.807 -2.180 3.452 1.00 34.31 C ATOM 1010 OD1 ASP A 69 12.948 -2.640 4.601 1.00 5.13 O ATOM 1011 OD2 ASP A 69 13.769 -1.845 2.739 1.00 0.14 O ATOM 0 H ASP A 69 9.050 -1.453 2.348 1.00 10.41 H new ATOM 0 HA ASP A 69 10.571 -1.291 4.729 1.00 61.42 H new ATOM 0 HB2 ASP A 69 10.889 -2.977 2.937 1.00 24.44 H new ATOM 0 HB3 ASP A 69 11.458 -1.720 1.857 1.00 24.44 H new ATOM 1016 N ILE A 70 11.308 0.935 2.381 1.00 61.13 N ATOM 1017 CA ILE A 70 11.752 2.302 2.177 1.00 34.15 C ATOM 1018 C ILE A 70 10.639 3.130 1.547 1.00 12.53 C ATOM 1019 O ILE A 70 9.944 2.683 0.631 1.00 50.32 O ATOM 1020 CB ILE A 70 13.075 2.401 1.340 1.00 41.34 C ATOM 1021 CG1 ILE A 70 13.010 1.622 0.009 1.00 75.45 C ATOM 1022 CG2 ILE A 70 14.266 1.928 2.160 1.00 1.54 C ATOM 1023 CD1 ILE A 70 12.837 2.507 -1.215 1.00 45.31 C ATOM 0 H ILE A 70 11.039 0.448 1.526 1.00 61.13 H new ATOM 0 HA ILE A 70 11.987 2.710 3.160 1.00 34.15 H new ATOM 0 HB ILE A 70 13.198 3.454 1.088 1.00 41.34 H new ATOM 0 HG12 ILE A 70 13.923 1.038 -0.104 1.00 75.45 H new ATOM 0 HG13 ILE A 70 12.182 0.914 0.054 1.00 75.45 H new ATOM 0 HG21 ILE A 70 15.174 2.005 1.561 1.00 1.54 H new ATOM 0 HG22 ILE A 70 14.365 2.550 3.050 1.00 1.54 H new ATOM 0 HG23 ILE A 70 14.114 0.890 2.457 1.00 1.54 H new ATOM 0 HD11 ILE A 70 12.800 1.886 -2.110 1.00 45.31 H new ATOM 0 HD12 ILE A 70 11.909 3.072 -1.127 1.00 45.31 H new ATOM 0 HD13 ILE A 70 13.677 3.197 -1.286 1.00 45.31 H new ATOM 1035 N THR A 71 10.434 4.308 2.102 1.00 20.34 N ATOM 1036 CA THR A 71 9.523 5.288 1.532 1.00 52.22 C ATOM 1037 C THR A 71 10.313 6.413 0.865 1.00 54.33 C ATOM 1038 O THR A 71 9.744 7.294 0.214 1.00 12.32 O ATOM 1039 CB THR A 71 8.590 5.869 2.616 1.00 21.13 C ATOM 1040 OG1 THR A 71 9.356 6.257 3.763 1.00 22.22 O ATOM 1041 CG2 THR A 71 7.526 4.854 3.025 1.00 43.20 C ATOM 0 H THR A 71 10.892 4.615 2.960 1.00 20.34 H new ATOM 0 HA THR A 71 8.909 4.788 0.783 1.00 52.22 H new ATOM 0 HB THR A 71 8.089 6.743 2.200 1.00 21.13 H new ATOM 0 HG1 THR A 71 8.758 6.626 4.446 1.00 22.22 H new ATOM 0 HG21 THR A 71 6.883 5.289 3.790 1.00 43.20 H new ATOM 0 HG22 THR A 71 6.926 4.586 2.156 1.00 43.20 H new ATOM 0 HG23 THR A 71 8.009 3.961 3.422 1.00 43.20 H new ATOM 1049 N GLU A 72 11.632 6.366 1.048 1.00 73.11 N ATOM 1050 CA GLU A 72 12.560 7.299 0.435 1.00 51.12 C ATOM 1051 C GLU A 72 13.908 6.594 0.265 1.00 12.53 C ATOM 1052 O GLU A 72 14.311 5.806 1.125 1.00 60.12 O ATOM 1053 CB GLU A 72 12.727 8.552 1.307 1.00 50.31 C ATOM 1054 CG GLU A 72 13.509 9.677 0.641 1.00 14.35 C ATOM 1055 CD GLU A 72 13.881 10.770 1.611 1.00 14.24 C ATOM 1056 OE1 GLU A 72 14.902 10.626 2.302 1.00 60.24 O ATOM 1057 OE2 GLU A 72 13.153 11.777 1.686 1.00 54.32 O ATOM 0 H GLU A 72 12.086 5.667 1.635 1.00 73.11 H new ATOM 0 HA GLU A 72 12.174 7.616 -0.534 1.00 51.12 H new ATOM 0 HB2 GLU A 72 11.740 8.924 1.582 1.00 50.31 H new ATOM 0 HB3 GLU A 72 13.231 8.273 2.232 1.00 50.31 H new ATOM 0 HG2 GLU A 72 14.415 9.270 0.192 1.00 14.35 H new ATOM 0 HG3 GLU A 72 12.914 10.100 -0.168 1.00 14.35 H new ATOM 1064 N GLY A 73 14.573 6.848 -0.849 1.00 52.33 N ATOM 1065 CA GLY A 73 15.859 6.232 -1.121 1.00 23.34 C ATOM 1066 C GLY A 73 15.981 5.899 -2.582 1.00 11.42 C ATOM 1067 O GLY A 73 15.037 6.121 -3.325 1.00 33.24 O ATOM 0 H GLY A 73 14.243 7.478 -1.580 1.00 52.33 H new ATOM 0 HA2 GLY A 73 16.663 6.907 -0.827 1.00 23.34 H new ATOM 0 HA3 GLY A 73 15.969 5.326 -0.524 1.00 23.34 H new ATOM 1071 N PHE A 74 17.125 5.353 -2.995 1.00 35.05 N ATOM 1072 CA PHE A 74 17.363 5.047 -4.414 1.00 20.12 C ATOM 1073 C PHE A 74 16.526 3.838 -4.839 1.00 45.13 C ATOM 1074 O PHE A 74 16.191 3.006 -3.989 1.00 30.35 O ATOM 1075 CB PHE A 74 18.868 4.812 -4.703 1.00 22.04 C ATOM 1076 CG PHE A 74 19.509 3.631 -3.997 1.00 30.54 C ATOM 1077 CD1 PHE A 74 20.032 3.764 -2.721 1.00 5.53 C ATOM 1078 CD2 PHE A 74 19.606 2.394 -4.624 1.00 62.52 C ATOM 1079 CE1 PHE A 74 20.633 2.696 -2.085 1.00 63.04 C ATOM 1080 CE2 PHE A 74 20.203 1.322 -3.991 1.00 34.00 C ATOM 1081 CZ PHE A 74 20.717 1.473 -2.719 1.00 12.22 C ATOM 0 H PHE A 74 17.899 5.113 -2.376 1.00 35.05 H new ATOM 0 HA PHE A 74 17.054 5.910 -5.003 1.00 20.12 H new ATOM 0 HB2 PHE A 74 18.994 4.678 -5.777 1.00 22.04 H new ATOM 0 HB3 PHE A 74 19.415 5.714 -4.428 1.00 22.04 H new ATOM 0 HD1 PHE A 74 19.969 4.717 -2.217 1.00 5.53 H new ATOM 0 HD2 PHE A 74 19.209 2.270 -5.621 1.00 62.52 H new ATOM 0 HE1 PHE A 74 21.038 2.818 -1.091 1.00 63.04 H new ATOM 0 HE2 PHE A 74 20.268 0.367 -4.490 1.00 34.00 H new ATOM 0 HZ PHE A 74 21.184 0.636 -2.221 1.00 12.22 H new ATOM 1091 N ALA A 75 16.147 3.816 -6.127 1.00 4.25 N ATOM 1092 CA ALA A 75 15.396 2.705 -6.746 1.00 54.44 C ATOM 1093 C ALA A 75 15.989 1.329 -6.412 1.00 53.41 C ATOM 1094 O ALA A 75 17.100 0.996 -6.836 1.00 72.35 O ATOM 1095 CB ALA A 75 15.322 2.891 -8.258 1.00 12.14 C ATOM 0 H ALA A 75 16.354 4.575 -6.776 1.00 4.25 H new ATOM 0 HA ALA A 75 14.391 2.731 -6.325 1.00 54.44 H new ATOM 0 HB1 ALA A 75 14.766 2.064 -8.699 1.00 12.14 H new ATOM 0 HB2 ALA A 75 14.817 3.830 -8.485 1.00 12.14 H new ATOM 0 HB3 ALA A 75 16.330 2.912 -8.672 1.00 12.14 H new ATOM 1101 N PRO A 76 15.251 0.529 -5.616 1.00 63.21 N ATOM 1102 CA PRO A 76 15.734 -0.750 -5.115 1.00 35.32 C ATOM 1103 C PRO A 76 15.409 -1.932 -6.033 1.00 4.02 C ATOM 1104 O PRO A 76 14.697 -1.785 -7.031 1.00 51.42 O ATOM 1105 CB PRO A 76 14.991 -0.870 -3.782 1.00 50.15 C ATOM 1106 CG PRO A 76 13.700 -0.140 -3.974 1.00 65.54 C ATOM 1107 CD PRO A 76 13.885 0.812 -5.128 1.00 41.02 C ATOM 0 HA PRO A 76 16.821 -0.780 -5.038 1.00 35.32 H new ATOM 0 HB2 PRO A 76 14.816 -1.914 -3.523 1.00 50.15 H new ATOM 0 HB3 PRO A 76 15.571 -0.433 -2.969 1.00 50.15 H new ATOM 0 HG2 PRO A 76 12.891 -0.840 -4.181 1.00 65.54 H new ATOM 0 HG3 PRO A 76 13.428 0.403 -3.069 1.00 65.54 H new ATOM 0 HD2 PRO A 76 13.141 0.643 -5.907 1.00 41.02 H new ATOM 0 HD3 PRO A 76 13.783 1.849 -4.809 1.00 41.02 H new ATOM 1115 N LEU A 77 15.934 -3.105 -5.683 1.00 44.33 N ATOM 1116 CA LEU A 77 15.646 -4.329 -6.424 1.00 14.32 C ATOM 1117 C LEU A 77 14.286 -4.920 -6.031 1.00 13.11 C ATOM 1118 O LEU A 77 13.696 -5.665 -6.807 1.00 61.01 O ATOM 1119 CB LEU A 77 16.800 -5.352 -6.268 1.00 4.01 C ATOM 1120 CG LEU A 77 17.408 -5.528 -4.859 1.00 62.41 C ATOM 1121 CD1 LEU A 77 16.594 -6.480 -3.995 1.00 23.03 C ATOM 1122 CD2 LEU A 77 18.840 -6.019 -4.968 1.00 25.41 C ATOM 0 H LEU A 77 16.562 -3.232 -4.889 1.00 44.33 H new ATOM 0 HA LEU A 77 15.578 -4.076 -7.482 1.00 14.32 H new ATOM 0 HB2 LEU A 77 16.436 -6.324 -6.602 1.00 4.01 H new ATOM 0 HB3 LEU A 77 17.602 -5.062 -6.947 1.00 4.01 H new ATOM 0 HG LEU A 77 17.391 -4.553 -4.373 1.00 62.41 H new ATOM 0 HD11 LEU A 77 17.061 -6.571 -3.014 1.00 23.03 H new ATOM 0 HD12 LEU A 77 15.582 -6.092 -3.880 1.00 23.03 H new ATOM 0 HD13 LEU A 77 16.555 -7.460 -4.471 1.00 23.03 H new ATOM 0 HD21 LEU A 77 19.260 -6.140 -3.970 1.00 25.41 H new ATOM 0 HD22 LEU A 77 18.858 -6.977 -5.488 1.00 25.41 H new ATOM 0 HD23 LEU A 77 19.432 -5.293 -5.525 1.00 25.41 H new ATOM 1134 N SER A 78 13.811 -4.574 -4.821 1.00 5.32 N ATOM 1135 CA SER A 78 12.465 -4.916 -4.348 1.00 50.30 C ATOM 1136 C SER A 78 12.176 -4.206 -3.027 1.00 64.12 C ATOM 1137 O SER A 78 13.085 -3.955 -2.235 1.00 35.34 O ATOM 1138 CB SER A 78 12.273 -6.436 -4.176 1.00 32.12 C ATOM 1139 OG SER A 78 13.256 -7.002 -3.332 1.00 4.11 O ATOM 0 H SER A 78 14.358 -4.045 -4.142 1.00 5.32 H new ATOM 0 HA SER A 78 11.762 -4.581 -5.110 1.00 50.30 H new ATOM 0 HB2 SER A 78 11.284 -6.632 -3.762 1.00 32.12 H new ATOM 0 HB3 SER A 78 12.312 -6.919 -5.152 1.00 32.12 H new ATOM 0 HG SER A 78 13.099 -7.966 -3.247 1.00 4.11 H new ATOM 1145 N VAL A 79 10.913 -3.857 -2.817 1.00 53.01 N ATOM 1146 CA VAL A 79 10.460 -3.317 -1.536 1.00 71.22 C ATOM 1147 C VAL A 79 9.556 -4.349 -0.873 1.00 4.52 C ATOM 1148 O VAL A 79 8.579 -4.795 -1.481 1.00 41.41 O ATOM 1149 CB VAL A 79 9.685 -1.970 -1.684 1.00 54.21 C ATOM 1150 CG1 VAL A 79 9.304 -1.388 -0.330 1.00 51.22 C ATOM 1151 CG2 VAL A 79 10.498 -0.953 -2.464 1.00 24.22 C ATOM 0 H VAL A 79 10.179 -3.938 -3.520 1.00 53.01 H new ATOM 0 HA VAL A 79 11.342 -3.109 -0.930 1.00 71.22 H new ATOM 0 HB VAL A 79 8.771 -2.192 -2.234 1.00 54.21 H new ATOM 0 HG11 VAL A 79 8.766 -0.451 -0.475 1.00 51.22 H new ATOM 0 HG12 VAL A 79 8.667 -2.093 0.203 1.00 51.22 H new ATOM 0 HG13 VAL A 79 10.206 -1.202 0.253 1.00 51.22 H new ATOM 0 HG21 VAL A 79 9.933 -0.025 -2.551 1.00 24.22 H new ATOM 0 HG22 VAL A 79 11.435 -0.759 -1.943 1.00 24.22 H new ATOM 0 HG23 VAL A 79 10.710 -1.343 -3.459 1.00 24.22 H new ATOM 1161 N ARG A 80 9.901 -4.756 0.346 1.00 73.11 N ATOM 1162 CA ARG A 80 9.052 -5.659 1.115 1.00 64.51 C ATOM 1163 C ARG A 80 7.869 -4.890 1.720 1.00 62.22 C ATOM 1164 O ARG A 80 8.026 -3.806 2.300 1.00 51.40 O ATOM 1165 CB ARG A 80 9.863 -6.408 2.196 1.00 41.12 C ATOM 1166 CG ARG A 80 10.586 -5.501 3.179 1.00 61.32 C ATOM 1167 CD ARG A 80 11.382 -6.271 4.214 1.00 2.10 C ATOM 1168 NE ARG A 80 11.940 -5.369 5.227 1.00 1.53 N ATOM 1169 CZ ARG A 80 12.341 -5.737 6.445 1.00 13.53 C ATOM 1170 NH1 ARG A 80 12.401 -7.019 6.790 1.00 75.15 N ATOM 1171 NH2 ARG A 80 12.723 -4.804 7.303 1.00 44.35 N ATOM 0 H ARG A 80 10.759 -4.476 0.820 1.00 73.11 H new ATOM 0 HA ARG A 80 8.651 -6.416 0.440 1.00 64.51 H new ATOM 0 HB2 ARG A 80 9.190 -7.061 2.751 1.00 41.12 H new ATOM 0 HB3 ARG A 80 10.596 -7.048 1.705 1.00 41.12 H new ATOM 0 HG2 ARG A 80 11.256 -4.840 2.630 1.00 61.32 H new ATOM 0 HG3 ARG A 80 9.857 -4.868 3.685 1.00 61.32 H new ATOM 0 HD2 ARG A 80 10.741 -7.011 4.694 1.00 2.10 H new ATOM 0 HD3 ARG A 80 12.188 -6.817 3.725 1.00 2.10 H new ATOM 0 HE ARG A 80 12.028 -4.383 4.981 1.00 1.53 H new ATOM 0 HH11 ARG A 80 12.138 -7.741 6.119 1.00 75.15 H new ATOM 0 HH12 ARG A 80 12.710 -7.281 7.726 1.00 75.15 H new ATOM 0 HH21 ARG A 80 12.708 -3.822 7.029 1.00 44.35 H new ATOM 0 HH22 ARG A 80 13.033 -5.067 8.239 1.00 44.35 H new ATOM 1185 N PHE A 81 6.678 -5.434 1.519 1.00 14.43 N ATOM 1186 CA PHE A 81 5.452 -4.828 2.028 1.00 51.32 C ATOM 1187 C PHE A 81 4.809 -5.735 3.063 1.00 62.14 C ATOM 1188 O PHE A 81 5.029 -6.948 3.060 1.00 41.55 O ATOM 1189 CB PHE A 81 4.447 -4.567 0.896 1.00 65.11 C ATOM 1190 CG PHE A 81 4.900 -3.564 -0.131 1.00 71.34 C ATOM 1191 CD1 PHE A 81 4.945 -2.213 0.172 1.00 71.21 C ATOM 1192 CD2 PHE A 81 5.276 -3.975 -1.399 1.00 3.01 C ATOM 1193 CE1 PHE A 81 5.357 -1.293 -0.771 1.00 32.51 C ATOM 1194 CE2 PHE A 81 5.688 -3.058 -2.345 1.00 74.11 C ATOM 1195 CZ PHE A 81 5.730 -1.717 -2.031 1.00 2.24 C ATOM 0 H PHE A 81 6.532 -6.301 1.003 1.00 14.43 H new ATOM 0 HA PHE A 81 5.720 -3.876 2.485 1.00 51.32 H new ATOM 0 HB2 PHE A 81 4.234 -5.510 0.393 1.00 65.11 H new ATOM 0 HB3 PHE A 81 3.510 -4.221 1.333 1.00 65.11 H new ATOM 0 HD1 PHE A 81 4.655 -1.876 1.156 1.00 71.21 H new ATOM 0 HD2 PHE A 81 5.247 -5.025 -1.651 1.00 3.01 H new ATOM 0 HE1 PHE A 81 5.388 -0.242 -0.523 1.00 32.51 H new ATOM 0 HE2 PHE A 81 5.977 -3.391 -3.331 1.00 74.11 H new ATOM 0 HZ PHE A 81 6.054 -0.999 -2.769 1.00 2.24 H new ATOM 1205 N LYS A 82 4.027 -5.142 3.949 1.00 51.14 N ATOM 1206 CA LYS A 82 3.262 -5.900 4.925 1.00 42.44 C ATOM 1207 C LYS A 82 1.903 -5.263 5.140 1.00 0.24 C ATOM 1208 O LYS A 82 1.771 -4.030 5.147 1.00 41.35 O ATOM 1209 CB LYS A 82 4.000 -6.022 6.271 1.00 31.13 C ATOM 1210 CG LYS A 82 4.495 -4.703 6.846 1.00 62.14 C ATOM 1211 CD LYS A 82 5.007 -4.877 8.266 1.00 50.41 C ATOM 1212 CE LYS A 82 3.887 -5.255 9.227 1.00 55.02 C ATOM 1213 NZ LYS A 82 4.390 -5.436 10.610 1.00 44.52 N ATOM 0 H LYS A 82 3.905 -4.131 4.013 1.00 51.14 H new ATOM 0 HA LYS A 82 3.135 -6.905 4.524 1.00 42.44 H new ATOM 0 HB2 LYS A 82 3.333 -6.491 6.995 1.00 31.13 H new ATOM 0 HB3 LYS A 82 4.852 -6.690 6.144 1.00 31.13 H new ATOM 0 HG2 LYS A 82 5.291 -4.305 6.216 1.00 62.14 H new ATOM 0 HG3 LYS A 82 3.686 -3.973 6.836 1.00 62.14 H new ATOM 0 HD2 LYS A 82 5.777 -5.648 8.283 1.00 50.41 H new ATOM 0 HD3 LYS A 82 5.476 -3.951 8.600 1.00 50.41 H new ATOM 0 HE2 LYS A 82 3.121 -4.479 9.217 1.00 55.02 H new ATOM 0 HE3 LYS A 82 3.412 -6.176 8.889 1.00 55.02 H new ATOM 0 HZ1 LYS A 82 3.600 -5.693 11.236 1.00 44.52 H new ATOM 0 HZ2 LYS A 82 5.103 -6.193 10.624 1.00 44.52 H new ATOM 0 HZ3 LYS A 82 4.821 -4.549 10.942 1.00 44.52 H new ATOM 1227 N ASP A 83 0.891 -6.104 5.297 1.00 5.11 N ATOM 1228 CA ASP A 83 -0.427 -5.635 5.673 1.00 50.43 C ATOM 1229 C ASP A 83 -0.479 -5.515 7.186 1.00 22.11 C ATOM 1230 O ASP A 83 -0.230 -6.470 7.928 1.00 41.15 O ATOM 1231 CB ASP A 83 -1.562 -6.526 5.110 1.00 34.20 C ATOM 1232 CG ASP A 83 -1.466 -7.998 5.488 1.00 34.45 C ATOM 1233 OD1 ASP A 83 -0.770 -8.756 4.788 1.00 62.14 O ATOM 1234 OD2 ASP A 83 -2.109 -8.407 6.475 1.00 42.02 O ATOM 0 H ASP A 83 0.961 -7.114 5.169 1.00 5.11 H new ATOM 0 HA ASP A 83 -0.598 -4.655 5.227 1.00 50.43 H new ATOM 0 HB2 ASP A 83 -2.518 -6.137 5.461 1.00 34.20 H new ATOM 0 HB3 ASP A 83 -1.564 -6.444 4.023 1.00 34.20 H new ATOM 1239 N PHE A 84 -0.733 -4.306 7.626 1.00 41.52 N ATOM 1240 CA PHE A 84 -0.760 -3.969 9.038 1.00 52.50 C ATOM 1241 C PHE A 84 -2.180 -3.489 9.404 1.00 62.13 C ATOM 1242 O PHE A 84 -2.444 -2.987 10.499 1.00 64.44 O ATOM 1243 CB PHE A 84 0.336 -2.905 9.286 1.00 63.40 C ATOM 1244 CG PHE A 84 0.576 -2.574 10.728 1.00 63.33 C ATOM 1245 CD1 PHE A 84 0.793 -3.580 11.656 1.00 15.34 C ATOM 1246 CD2 PHE A 84 0.560 -1.261 11.153 1.00 41.14 C ATOM 1247 CE1 PHE A 84 0.980 -3.278 12.990 1.00 74.42 C ATOM 1248 CE2 PHE A 84 0.755 -0.948 12.487 1.00 3.24 C ATOM 1249 CZ PHE A 84 0.962 -1.959 13.406 1.00 21.14 C ATOM 0 H PHE A 84 -0.930 -3.516 7.011 1.00 41.52 H new ATOM 0 HA PHE A 84 -0.544 -4.824 9.679 1.00 52.50 H new ATOM 0 HB2 PHE A 84 1.270 -3.257 8.848 1.00 63.40 H new ATOM 0 HB3 PHE A 84 0.061 -1.991 8.759 1.00 63.40 H new ATOM 0 HD1 PHE A 84 0.816 -4.610 11.333 1.00 15.34 H new ATOM 0 HD2 PHE A 84 0.394 -0.470 10.437 1.00 41.14 H new ATOM 0 HE1 PHE A 84 1.140 -4.070 13.707 1.00 74.42 H new ATOM 0 HE2 PHE A 84 0.745 0.083 12.809 1.00 3.24 H new ATOM 0 HZ PHE A 84 1.110 -1.719 14.449 1.00 21.14 H new ATOM 1259 N SER A 85 -3.079 -3.679 8.429 1.00 5.30 N ATOM 1260 CA SER A 85 -4.488 -3.311 8.501 1.00 71.32 C ATOM 1261 C SER A 85 -5.213 -3.976 9.663 1.00 41.25 C ATOM 1262 O SER A 85 -4.983 -5.152 9.967 1.00 1.24 O ATOM 1263 CB SER A 85 -5.154 -3.709 7.196 1.00 71.31 C ATOM 1264 OG SER A 85 -4.422 -3.197 6.105 1.00 22.03 O ATOM 0 H SER A 85 -2.830 -4.109 7.538 1.00 5.30 H new ATOM 0 HA SER A 85 -4.546 -2.235 8.666 1.00 71.32 H new ATOM 0 HB2 SER A 85 -5.215 -4.795 7.126 1.00 71.31 H new ATOM 0 HB3 SER A 85 -6.176 -3.330 7.169 1.00 71.31 H new ATOM 0 HG SER A 85 -4.115 -3.937 5.541 1.00 22.03 H new ATOM 1270 N GLU A 86 -6.089 -3.213 10.303 1.00 34.01 N ATOM 1271 CA GLU A 86 -6.845 -3.702 11.442 1.00 24.24 C ATOM 1272 C GLU A 86 -8.337 -3.619 11.151 1.00 74.22 C ATOM 1273 O GLU A 86 -8.773 -2.706 10.448 1.00 73.25 O ATOM 1274 CB GLU A 86 -6.515 -2.903 12.704 1.00 71.14 C ATOM 1275 CG GLU A 86 -5.030 -2.875 13.057 1.00 42.52 C ATOM 1276 CD GLU A 86 -4.761 -2.225 14.399 1.00 20.21 C ATOM 1277 OE1 GLU A 86 -4.734 -0.982 14.466 1.00 43.13 O ATOM 1278 OE2 GLU A 86 -4.578 -2.958 15.390 1.00 12.15 O ATOM 0 H GLU A 86 -6.293 -2.247 10.048 1.00 34.01 H new ATOM 0 HA GLU A 86 -6.568 -4.742 11.613 1.00 24.24 H new ATOM 0 HB2 GLU A 86 -6.865 -1.879 12.574 1.00 71.14 H new ATOM 0 HB3 GLU A 86 -7.068 -3.325 13.543 1.00 71.14 H new ATOM 0 HG2 GLU A 86 -4.644 -3.894 13.067 1.00 42.52 H new ATOM 0 HG3 GLU A 86 -4.486 -2.336 12.281 1.00 42.52 H new ATOM 1285 N ASN A 87 -9.087 -4.612 11.671 1.00 35.44 N ATOM 1286 CA ASN A 87 -10.569 -4.689 11.577 1.00 54.44 C ATOM 1287 C ASN A 87 -11.059 -4.829 10.132 1.00 53.13 C ATOM 1288 O ASN A 87 -12.151 -4.381 9.776 1.00 3.33 O ATOM 1289 CB ASN A 87 -11.249 -3.496 12.268 1.00 53.25 C ATOM 1290 CG ASN A 87 -11.052 -3.507 13.770 1.00 41.13 C ATOM 1291 OD1 ASN A 87 -11.780 -4.180 14.495 1.00 33.23 O ATOM 1292 ND2 ASN A 87 -10.082 -2.753 14.252 1.00 55.53 N ATOM 0 H ASN A 87 -8.679 -5.398 12.177 1.00 35.44 H new ATOM 0 HA ASN A 87 -10.858 -5.596 12.107 1.00 54.44 H new ATOM 0 HB2 ASN A 87 -10.850 -2.568 11.859 1.00 53.25 H new ATOM 0 HB3 ASN A 87 -12.316 -3.510 12.044 1.00 53.25 H new ATOM 0 HD21 ASN A 87 -9.917 -2.716 15.258 1.00 55.53 H new ATOM 0 HD22 ASN A 87 -9.497 -2.208 13.619 1.00 55.53 H new ATOM 1299 N ALA A 88 -10.259 -5.514 9.325 1.00 22.44 N ATOM 1300 CA ALA A 88 -10.584 -5.748 7.934 1.00 21.01 C ATOM 1301 C ALA A 88 -10.885 -7.210 7.718 1.00 23.05 C ATOM 1302 O ALA A 88 -10.253 -8.080 8.329 1.00 54.31 O ATOM 1303 CB ALA A 88 -9.442 -5.321 7.032 1.00 65.41 C ATOM 0 H ALA A 88 -9.371 -5.920 9.620 1.00 22.44 H new ATOM 0 HA ALA A 88 -11.462 -5.154 7.682 1.00 21.01 H new ATOM 0 HB1 ALA A 88 -9.711 -5.507 5.992 1.00 65.41 H new ATOM 0 HB2 ALA A 88 -9.246 -4.258 7.172 1.00 65.41 H new ATOM 0 HB3 ALA A 88 -8.547 -5.891 7.283 1.00 65.41 H new ATOM 1309 N THR A 89 -11.856 -7.483 6.868 1.00 61.10 N ATOM 1310 CA THR A 89 -12.179 -8.850 6.497 1.00 20.20 C ATOM 1311 C THR A 89 -11.390 -9.286 5.269 1.00 21.51 C ATOM 1312 O THR A 89 -11.032 -10.454 5.149 1.00 12.40 O ATOM 1313 CB THR A 89 -13.687 -9.039 6.254 1.00 72.11 C ATOM 1314 OG1 THR A 89 -14.212 -7.918 5.530 1.00 25.23 O ATOM 1315 CG2 THR A 89 -14.431 -9.211 7.572 1.00 12.51 C ATOM 0 H THR A 89 -12.437 -6.775 6.419 1.00 61.10 H new ATOM 0 HA THR A 89 -11.895 -9.482 7.339 1.00 20.20 H new ATOM 0 HB THR A 89 -13.830 -9.943 5.662 1.00 72.11 H new ATOM 0 HG1 THR A 89 -15.191 -7.967 5.517 1.00 25.23 H new ATOM 0 HG21 THR A 89 -15.495 -9.343 7.375 1.00 12.51 H new ATOM 0 HG22 THR A 89 -14.047 -10.087 8.095 1.00 12.51 H new ATOM 0 HG23 THR A 89 -14.284 -8.326 8.191 1.00 12.51 H new ATOM 1323 N SER A 90 -11.117 -8.345 4.364 1.00 54.41 N ATOM 1324 CA SER A 90 -10.300 -8.612 3.185 1.00 34.53 C ATOM 1325 C SER A 90 -9.340 -7.453 2.917 1.00 53.15 C ATOM 1326 O SER A 90 -9.640 -6.299 3.240 1.00 52.41 O ATOM 1327 CB SER A 90 -11.185 -8.836 1.956 1.00 30.30 C ATOM 1328 OG SER A 90 -12.020 -9.972 2.114 1.00 4.01 O ATOM 0 H SER A 90 -11.454 -7.384 4.429 1.00 54.41 H new ATOM 0 HA SER A 90 -9.721 -9.515 3.378 1.00 34.53 H new ATOM 0 HB2 SER A 90 -11.800 -7.953 1.784 1.00 30.30 H new ATOM 0 HB3 SER A 90 -10.558 -8.965 1.074 1.00 30.30 H new ATOM 0 HG SER A 90 -12.573 -10.086 1.313 1.00 4.01 H new ATOM 1334 N ARG A 91 -8.180 -7.774 2.340 1.00 71.34 N ATOM 1335 CA ARG A 91 -7.233 -6.756 1.903 1.00 22.32 C ATOM 1336 C ARG A 91 -7.185 -6.699 0.382 1.00 72.21 C ATOM 1337 O ARG A 91 -7.674 -7.604 -0.295 1.00 25.42 O ATOM 1338 CB ARG A 91 -5.824 -6.981 2.522 1.00 31.24 C ATOM 1339 CG ARG A 91 -5.170 -8.345 2.259 1.00 0.21 C ATOM 1340 CD ARG A 91 -4.394 -8.397 0.938 1.00 51.23 C ATOM 1341 NE ARG A 91 -3.769 -9.703 0.695 1.00 14.10 N ATOM 1342 CZ ARG A 91 -3.224 -10.085 -0.469 1.00 11.34 C ATOM 1343 NH1 ARG A 91 -3.251 -9.291 -1.535 1.00 64.34 N ATOM 1344 NH2 ARG A 91 -2.649 -11.270 -0.576 1.00 21.30 N ATOM 0 H ARG A 91 -7.877 -8.732 2.166 1.00 71.34 H new ATOM 0 HA ARG A 91 -7.579 -5.788 2.265 1.00 22.32 H new ATOM 0 HB2 ARG A 91 -5.158 -6.205 2.145 1.00 31.24 H new ATOM 0 HB3 ARG A 91 -5.899 -6.841 3.600 1.00 31.24 H new ATOM 0 HG2 ARG A 91 -4.493 -8.581 3.080 1.00 0.21 H new ATOM 0 HG3 ARG A 91 -5.941 -9.115 2.251 1.00 0.21 H new ATOM 0 HD2 ARG A 91 -5.070 -8.165 0.115 1.00 51.23 H new ATOM 0 HD3 ARG A 91 -3.623 -7.626 0.944 1.00 51.23 H new ATOM 0 HE ARG A 91 -3.748 -10.368 1.468 1.00 14.10 H new ATOM 0 HH11 ARG A 91 -3.692 -8.373 -1.476 1.00 64.34 H new ATOM 0 HH12 ARG A 91 -2.831 -9.600 -2.412 1.00 64.34 H new ATOM 0 HH21 ARG A 91 -2.619 -11.897 0.228 1.00 21.30 H new ATOM 0 HH22 ARG A 91 -2.235 -11.558 -1.463 1.00 21.30 H new ATOM 1358 N LEU A 92 -6.600 -5.627 -0.139 1.00 54.43 N ATOM 1359 CA LEU A 92 -6.409 -5.448 -1.568 1.00 73.42 C ATOM 1360 C LEU A 92 -5.169 -4.587 -1.763 1.00 34.32 C ATOM 1361 O LEU A 92 -5.142 -3.428 -1.340 1.00 61.20 O ATOM 1362 CB LEU A 92 -7.666 -4.785 -2.189 1.00 34.10 C ATOM 1363 CG LEU A 92 -7.862 -4.897 -3.716 1.00 11.43 C ATOM 1364 CD1 LEU A 92 -9.317 -4.642 -4.059 1.00 0.53 C ATOM 1365 CD2 LEU A 92 -6.997 -3.915 -4.493 1.00 23.24 C ATOM 0 H LEU A 92 -6.244 -4.855 0.424 1.00 54.43 H new ATOM 0 HA LEU A 92 -6.269 -6.406 -2.069 1.00 73.42 H new ATOM 0 HB2 LEU A 92 -8.544 -5.215 -1.707 1.00 34.10 H new ATOM 0 HB3 LEU A 92 -7.648 -3.726 -1.931 1.00 34.10 H new ATOM 0 HG LEU A 92 -7.562 -5.905 -4.003 1.00 11.43 H new ATOM 0 HD11 LEU A 92 -9.456 -4.721 -5.137 1.00 0.53 H new ATOM 0 HD12 LEU A 92 -9.944 -5.379 -3.557 1.00 0.53 H new ATOM 0 HD13 LEU A 92 -9.599 -3.642 -3.729 1.00 0.53 H new ATOM 0 HD21 LEU A 92 -7.176 -4.039 -5.561 1.00 23.24 H new ATOM 0 HD22 LEU A 92 -7.249 -2.896 -4.198 1.00 23.24 H new ATOM 0 HD23 LEU A 92 -5.946 -4.106 -4.277 1.00 23.24 H new ATOM 1377 N TRP A 93 -4.134 -5.145 -2.384 1.00 51.02 N ATOM 1378 CA TRP A 93 -2.962 -4.354 -2.706 1.00 5.22 C ATOM 1379 C TRP A 93 -3.126 -3.809 -4.098 1.00 30.33 C ATOM 1380 O TRP A 93 -3.087 -4.568 -5.064 1.00 10.20 O ATOM 1381 CB TRP A 93 -1.665 -5.174 -2.647 1.00 0.14 C ATOM 1382 CG TRP A 93 -1.196 -5.533 -1.268 1.00 52.23 C ATOM 1383 CD1 TRP A 93 -1.329 -6.737 -0.649 1.00 33.01 C ATOM 1384 CD2 TRP A 93 -0.483 -4.691 -0.352 1.00 73.23 C ATOM 1385 NE1 TRP A 93 -0.753 -6.699 0.593 1.00 3.10 N ATOM 1386 CE2 TRP A 93 -0.233 -5.452 0.803 1.00 21.42 C ATOM 1387 CE3 TRP A 93 -0.040 -3.360 -0.393 1.00 43.20 C ATOM 1388 CZ2 TRP A 93 0.448 -4.936 1.897 1.00 13.34 C ATOM 1389 CZ3 TRP A 93 0.634 -2.851 0.698 1.00 50.15 C ATOM 1390 CH2 TRP A 93 0.867 -3.636 1.830 1.00 22.13 C ATOM 0 H TRP A 93 -4.086 -6.124 -2.668 1.00 51.02 H new ATOM 0 HA TRP A 93 -2.881 -3.557 -1.967 1.00 5.22 H new ATOM 0 HB2 TRP A 93 -1.810 -6.093 -3.215 1.00 0.14 H new ATOM 0 HB3 TRP A 93 -0.876 -4.612 -3.146 1.00 0.14 H new ATOM 0 HD1 TRP A 93 -1.819 -7.600 -1.076 1.00 33.01 H new ATOM 0 HE1 TRP A 93 -0.718 -7.475 1.254 1.00 3.10 H new ATOM 0 HE3 TRP A 93 -0.223 -2.746 -1.262 1.00 43.20 H new ATOM 0 HZ2 TRP A 93 0.640 -5.540 2.771 1.00 13.34 H new ATOM 0 HZ3 TRP A 93 0.987 -1.830 0.677 1.00 50.15 H new ATOM 0 HH2 TRP A 93 1.390 -3.206 2.671 1.00 22.13 H new ATOM 1401 N MET A 94 -3.311 -2.508 -4.199 1.00 60.40 N ATOM 1402 CA MET A 94 -3.442 -1.865 -5.479 1.00 62.33 C ATOM 1403 C MET A 94 -2.143 -1.145 -5.787 1.00 10.12 C ATOM 1404 O MET A 94 -1.910 -0.017 -5.353 1.00 32.54 O ATOM 1405 CB MET A 94 -4.641 -0.912 -5.498 1.00 35.21 C ATOM 1406 CG MET A 94 -5.052 -0.497 -6.899 1.00 3.35 C ATOM 1407 SD MET A 94 -6.539 0.528 -6.935 1.00 52.31 S ATOM 1408 CE MET A 94 -5.978 2.023 -6.120 1.00 11.12 C ATOM 0 H MET A 94 -3.374 -1.877 -3.400 1.00 60.40 H new ATOM 0 HA MET A 94 -3.631 -2.610 -6.252 1.00 62.33 H new ATOM 0 HB2 MET A 94 -5.487 -1.392 -5.005 1.00 35.21 H new ATOM 0 HB3 MET A 94 -4.398 -0.021 -4.919 1.00 35.21 H new ATOM 0 HG2 MET A 94 -4.231 0.050 -7.364 1.00 3.35 H new ATOM 0 HG3 MET A 94 -5.221 -1.391 -7.500 1.00 3.35 H new ATOM 0 HE1 MET A 94 -6.732 2.802 -6.230 1.00 11.12 H new ATOM 0 HE2 MET A 94 -5.816 1.821 -5.061 1.00 11.12 H new ATOM 0 HE3 MET A 94 -5.044 2.356 -6.573 1.00 11.12 H new ATOM 1418 N PHE A 95 -1.275 -1.854 -6.488 1.00 42.53 N ATOM 1419 CA PHE A 95 0.046 -1.356 -6.831 1.00 55.42 C ATOM 1420 C PHE A 95 -0.045 -0.351 -7.981 1.00 53.10 C ATOM 1421 O PHE A 95 0.684 0.640 -8.011 1.00 40.00 O ATOM 1422 CB PHE A 95 0.935 -2.543 -7.223 1.00 54.05 C ATOM 1423 CG PHE A 95 2.408 -2.280 -7.093 1.00 4.55 C ATOM 1424 CD1 PHE A 95 3.062 -2.553 -5.904 1.00 14.03 C ATOM 1425 CD2 PHE A 95 3.138 -1.765 -8.151 1.00 13.30 C ATOM 1426 CE1 PHE A 95 4.412 -2.315 -5.772 1.00 41.11 C ATOM 1427 CE2 PHE A 95 4.487 -1.524 -8.023 1.00 12.32 C ATOM 1428 CZ PHE A 95 5.124 -1.801 -6.831 1.00 15.43 C ATOM 0 H PHE A 95 -1.467 -2.793 -6.836 1.00 42.53 H new ATOM 0 HA PHE A 95 0.480 -0.844 -5.972 1.00 55.42 H new ATOM 0 HB2 PHE A 95 0.674 -3.399 -6.600 1.00 54.05 H new ATOM 0 HB3 PHE A 95 0.717 -2.821 -8.254 1.00 54.05 H new ATOM 0 HD1 PHE A 95 2.507 -2.957 -5.070 1.00 14.03 H new ATOM 0 HD2 PHE A 95 2.643 -1.550 -9.087 1.00 13.30 H new ATOM 0 HE1 PHE A 95 4.911 -2.531 -4.839 1.00 41.11 H new ATOM 0 HE2 PHE A 95 5.046 -1.119 -8.854 1.00 12.32 H new ATOM 0 HZ PHE A 95 6.183 -1.614 -6.729 1.00 15.43 H new ATOM 1438 N GLY A 96 -0.980 -0.605 -8.895 1.00 51.21 N ATOM 1439 CA GLY A 96 -1.084 0.191 -10.103 1.00 14.21 C ATOM 1440 C GLY A 96 -0.567 -0.545 -11.322 1.00 64.51 C ATOM 1441 O GLY A 96 -0.628 -0.025 -12.435 1.00 21.54 O ATOM 0 H GLY A 96 -1.670 -1.352 -8.817 1.00 51.21 H new ATOM 0 HA2 GLY A 96 -2.126 0.469 -10.264 1.00 14.21 H new ATOM 0 HA3 GLY A 96 -0.523 1.117 -9.975 1.00 14.21 H new ATOM 1445 N ASP A 97 -0.073 -1.759 -11.107 1.00 31.03 N ATOM 1446 CA ASP A 97 0.459 -2.578 -12.182 1.00 62.44 C ATOM 1447 C ASP A 97 -0.592 -3.605 -12.594 1.00 35.52 C ATOM 1448 O ASP A 97 -0.800 -4.602 -11.896 1.00 1.20 O ATOM 1449 CB ASP A 97 1.761 -3.263 -11.729 1.00 43.11 C ATOM 1450 CG ASP A 97 2.500 -3.937 -12.868 1.00 52.11 C ATOM 1451 OD1 ASP A 97 3.244 -3.245 -13.585 1.00 74.43 O ATOM 1452 OD2 ASP A 97 2.350 -5.162 -13.044 1.00 12.11 O ATOM 0 H ASP A 97 -0.031 -2.198 -10.187 1.00 31.03 H new ATOM 0 HA ASP A 97 0.695 -1.954 -13.044 1.00 62.44 H new ATOM 0 HB2 ASP A 97 2.414 -2.522 -11.267 1.00 43.11 H new ATOM 0 HB3 ASP A 97 1.529 -4.004 -10.964 1.00 43.11 H new ATOM 1457 N GLY A 98 -1.293 -3.306 -13.698 1.00 23.12 N ATOM 1458 CA GLY A 98 -2.350 -4.178 -14.215 1.00 21.41 C ATOM 1459 C GLY A 98 -3.546 -4.279 -13.281 1.00 62.54 C ATOM 1460 O GLY A 98 -3.815 -3.353 -12.504 1.00 41.32 O ATOM 0 H GLY A 98 -1.143 -2.462 -14.250 1.00 23.12 H new ATOM 0 HA2 GLY A 98 -2.682 -3.803 -15.183 1.00 21.41 H new ATOM 0 HA3 GLY A 98 -1.942 -5.175 -14.383 1.00 21.41 H new ATOM 1464 N ASN A 99 -4.263 -5.399 -13.351 1.00 64.22 N ATOM 1465 CA ASN A 99 -5.321 -5.691 -12.388 1.00 34.03 C ATOM 1466 C ASN A 99 -4.728 -6.330 -11.152 1.00 30.24 C ATOM 1467 O ASN A 99 -4.086 -7.380 -11.218 1.00 24.24 O ATOM 1468 CB ASN A 99 -6.418 -6.584 -12.984 1.00 72.25 C ATOM 1469 CG ASN A 99 -7.482 -5.789 -13.722 1.00 52.51 C ATOM 1470 OD1 ASN A 99 -8.458 -5.343 -13.126 1.00 22.04 O ATOM 1471 ND2 ASN A 99 -7.308 -5.611 -15.020 1.00 42.41 N ATOM 0 H ASN A 99 -4.130 -6.117 -14.063 1.00 64.22 H new ATOM 0 HA ASN A 99 -5.793 -4.747 -12.117 1.00 34.03 H new ATOM 0 HB2 ASN A 99 -5.965 -7.301 -13.669 1.00 72.25 H new ATOM 0 HB3 ASN A 99 -6.888 -7.158 -12.185 1.00 72.25 H new ATOM 0 HD21 ASN A 99 -7.998 -5.088 -15.560 1.00 42.41 H new ATOM 0 HD22 ASN A 99 -6.484 -5.996 -15.482 1.00 42.41 H new ATOM 1478 N THR A 100 -4.935 -5.664 -10.030 1.00 12.05 N ATOM 1479 CA THR A 100 -4.386 -6.083 -8.747 1.00 24.12 C ATOM 1480 C THR A 100 -5.399 -6.952 -7.990 1.00 73.30 C ATOM 1481 O THR A 100 -6.386 -7.386 -8.591 1.00 32.21 O ATOM 1482 CB THR A 100 -3.976 -4.845 -7.926 1.00 32.42 C ATOM 1483 OG1 THR A 100 -5.088 -3.955 -7.754 1.00 71.11 O ATOM 1484 CG2 THR A 100 -2.838 -4.097 -8.604 1.00 53.54 C ATOM 0 H THR A 100 -5.492 -4.811 -9.980 1.00 12.05 H new ATOM 0 HA THR A 100 -3.496 -6.689 -8.915 1.00 24.12 H new ATOM 0 HB THR A 100 -3.643 -5.196 -6.949 1.00 32.42 H new ATOM 0 HG1 THR A 100 -5.377 -3.970 -6.818 1.00 71.11 H new ATOM 0 HG21 THR A 100 -2.567 -3.227 -8.005 1.00 53.54 H new ATOM 0 HG22 THR A 100 -1.975 -4.756 -8.699 1.00 53.54 H new ATOM 0 HG23 THR A 100 -3.156 -3.771 -9.594 1.00 53.54 H new ATOM 1602 N THR A 109 8.389 -4.736 -9.499 1.00 73.22 N ATOM 1603 CA THR A 109 9.118 -3.784 -8.686 1.00 64.32 C ATOM 1604 C THR A 109 9.599 -2.577 -9.530 1.00 5.30 C ATOM 1605 O THR A 109 9.254 -2.456 -10.715 1.00 75.21 O ATOM 1606 CB THR A 109 10.288 -4.515 -7.960 1.00 24.01 C ATOM 1607 OG1 THR A 109 10.835 -3.704 -6.908 1.00 43.23 O ATOM 1608 CG2 THR A 109 11.387 -4.936 -8.941 1.00 22.42 C ATOM 0 HA THR A 109 8.455 -3.372 -7.925 1.00 64.32 H new ATOM 0 HB THR A 109 9.874 -5.419 -7.515 1.00 24.01 H new ATOM 0 HG1 THR A 109 11.809 -3.654 -7.006 1.00 43.23 H new ATOM 0 HG21 THR A 109 12.185 -5.442 -8.398 1.00 22.42 H new ATOM 0 HG22 THR A 109 10.969 -5.613 -9.687 1.00 22.42 H new ATOM 0 HG23 THR A 109 11.789 -4.053 -9.437 1.00 22.42 H new ATOM 1616 N PHE A 110 10.399 -1.708 -8.910 1.00 4.32 N ATOM 1617 CA PHE A 110 10.776 -0.427 -9.487 1.00 15.23 C ATOM 1618 C PHE A 110 12.106 -0.525 -10.222 1.00 3.44 C ATOM 1619 O PHE A 110 13.173 -0.542 -9.604 1.00 61.43 O ATOM 1620 CB PHE A 110 10.863 0.644 -8.391 1.00 2.04 C ATOM 1621 CG PHE A 110 9.664 0.700 -7.476 1.00 3.14 C ATOM 1622 CD1 PHE A 110 8.384 0.881 -7.980 1.00 31.21 C ATOM 1623 CD2 PHE A 110 9.827 0.579 -6.107 1.00 52.35 C ATOM 1624 CE1 PHE A 110 7.295 0.944 -7.135 1.00 52.20 C ATOM 1625 CE2 PHE A 110 8.738 0.640 -5.260 1.00 53.30 C ATOM 1626 CZ PHE A 110 7.471 0.820 -5.773 1.00 61.02 C ATOM 0 H PHE A 110 10.803 -1.879 -7.989 1.00 4.32 H new ATOM 0 HA PHE A 110 10.008 -0.144 -10.206 1.00 15.23 H new ATOM 0 HB2 PHE A 110 11.754 0.460 -7.791 1.00 2.04 H new ATOM 0 HB3 PHE A 110 10.991 1.619 -8.862 1.00 2.04 H new ATOM 0 HD1 PHE A 110 8.238 0.974 -9.046 1.00 31.21 H new ATOM 0 HD2 PHE A 110 10.816 0.435 -5.697 1.00 52.35 H new ATOM 0 HE1 PHE A 110 6.305 1.090 -7.540 1.00 52.20 H new ATOM 0 HE2 PHE A 110 8.879 0.546 -4.193 1.00 53.30 H new ATOM 0 HZ PHE A 110 6.619 0.864 -5.110 1.00 61.02 H new ATOM 1636 N PHE A 111 12.027 -0.625 -11.544 1.00 21.12 N ATOM 1637 CA PHE A 111 13.216 -0.682 -12.397 1.00 74.24 C ATOM 1638 C PHE A 111 13.634 0.718 -12.862 1.00 71.30 C ATOM 1639 O PHE A 111 14.792 0.948 -13.225 1.00 22.44 O ATOM 1640 CB PHE A 111 12.965 -1.583 -13.613 1.00 11.40 C ATOM 1641 CG PHE A 111 12.837 -3.038 -13.272 1.00 33.42 C ATOM 1642 CD1 PHE A 111 13.960 -3.847 -13.224 1.00 51.15 C ATOM 1643 CD2 PHE A 111 11.600 -3.602 -13.005 1.00 44.20 C ATOM 1644 CE1 PHE A 111 13.852 -5.189 -12.921 1.00 62.22 C ATOM 1645 CE2 PHE A 111 11.488 -4.942 -12.699 1.00 21.24 C ATOM 1646 CZ PHE A 111 12.615 -5.737 -12.656 1.00 65.02 C ATOM 0 H PHE A 111 11.145 -0.669 -12.055 1.00 21.12 H new ATOM 0 HA PHE A 111 14.028 -1.103 -11.804 1.00 74.24 H new ATOM 0 HB2 PHE A 111 12.054 -1.255 -14.114 1.00 11.40 H new ATOM 0 HB3 PHE A 111 13.783 -1.456 -14.322 1.00 11.40 H new ATOM 0 HD1 PHE A 111 14.932 -3.422 -13.426 1.00 51.15 H new ATOM 0 HD2 PHE A 111 10.714 -2.986 -13.037 1.00 44.20 H new ATOM 0 HE1 PHE A 111 14.736 -5.809 -12.891 1.00 62.22 H new ATOM 0 HE2 PHE A 111 10.518 -5.369 -12.493 1.00 21.24 H new ATOM 0 HZ PHE A 111 12.528 -6.786 -12.415 1.00 65.02 H new ATOM 1656 N ASN A 112 12.678 1.644 -12.854 1.00 52.05 N ATOM 1657 CA ASN A 112 12.919 3.033 -13.245 1.00 52.01 C ATOM 1658 C ASN A 112 12.500 3.919 -12.096 1.00 24.03 C ATOM 1659 O ASN A 112 11.513 3.612 -11.422 1.00 5.53 O ATOM 1660 CB ASN A 112 12.130 3.451 -14.509 1.00 42.15 C ATOM 1661 CG ASN A 112 12.514 2.707 -15.787 1.00 71.21 C ATOM 1662 OD1 ASN A 112 12.760 1.505 -15.789 1.00 42.24 O ATOM 1663 ND2 ASN A 112 12.573 3.425 -16.895 1.00 65.34 N ATOM 0 H ASN A 112 11.715 1.454 -12.577 1.00 52.05 H new ATOM 0 HA ASN A 112 13.978 3.136 -13.480 1.00 52.01 H new ATOM 0 HB2 ASN A 112 11.067 3.297 -14.323 1.00 42.15 H new ATOM 0 HB3 ASN A 112 12.274 4.519 -14.672 1.00 42.15 H new ATOM 0 HD21 ASN A 112 12.828 2.981 -17.777 1.00 65.34 H new ATOM 0 HD22 ASN A 112 12.364 4.423 -16.868 1.00 65.34 H new ATOM 1670 N GLU A 113 13.229 5.014 -11.887 1.00 63.41 N ATOM 1671 CA GLU A 113 12.963 5.939 -10.773 1.00 15.34 C ATOM 1672 C GLU A 113 11.715 6.786 -11.003 1.00 44.23 C ATOM 1673 O GLU A 113 11.149 6.805 -12.097 1.00 65.51 O ATOM 1674 CB GLU A 113 14.163 6.862 -10.503 1.00 61.13 C ATOM 1675 CG GLU A 113 15.330 6.166 -9.843 1.00 50.44 C ATOM 1676 CD GLU A 113 16.462 5.845 -10.803 1.00 63.12 C ATOM 1677 OE1 GLU A 113 16.213 5.243 -11.872 1.00 35.42 O ATOM 1678 OE2 GLU A 113 17.608 6.199 -10.499 1.00 64.32 O ATOM 0 H GLU A 113 14.015 5.288 -12.476 1.00 63.41 H new ATOM 0 HA GLU A 113 12.792 5.310 -9.899 1.00 15.34 H new ATOM 0 HB2 GLU A 113 14.496 7.295 -11.446 1.00 61.13 H new ATOM 0 HB3 GLU A 113 13.839 7.688 -9.870 1.00 61.13 H new ATOM 0 HG2 GLU A 113 15.712 6.796 -9.040 1.00 50.44 H new ATOM 0 HG3 GLU A 113 14.980 5.242 -9.384 1.00 50.44 H new ATOM 1685 N GLY A 114 11.282 7.466 -9.955 1.00 5.15 N ATOM 1686 CA GLY A 114 10.113 8.302 -10.054 1.00 32.31 C ATOM 1687 C GLY A 114 9.369 8.403 -8.745 1.00 22.13 C ATOM 1688 O GLY A 114 9.856 7.952 -7.697 1.00 52.12 O ATOM 0 H GLY A 114 11.723 7.452 -9.035 1.00 5.15 H new ATOM 0 HA2 GLY A 114 10.409 9.299 -10.379 1.00 32.31 H new ATOM 0 HA3 GLY A 114 9.447 7.902 -10.818 1.00 32.31 H new ATOM 1692 N GLU A 115 8.189 8.990 -8.815 1.00 72.04 N ATOM 1693 CA GLU A 115 7.351 9.199 -7.657 1.00 74.41 C ATOM 1694 C GLU A 115 6.211 8.188 -7.680 1.00 74.02 C ATOM 1695 O GLU A 115 5.363 8.204 -8.574 1.00 60.34 O ATOM 1696 CB GLU A 115 6.835 10.633 -7.677 1.00 1.41 C ATOM 1697 CG GLU A 115 6.072 11.042 -6.435 1.00 44.03 C ATOM 1698 CD GLU A 115 5.758 12.517 -6.413 1.00 53.53 C ATOM 1699 OE1 GLU A 115 4.716 12.905 -6.961 1.00 32.13 O ATOM 1700 OE2 GLU A 115 6.566 13.292 -5.870 1.00 43.35 O ATOM 0 H GLU A 115 7.785 9.337 -9.685 1.00 72.04 H new ATOM 0 HA GLU A 115 7.914 9.052 -6.735 1.00 74.41 H new ATOM 0 HB2 GLU A 115 7.680 11.308 -7.808 1.00 1.41 H new ATOM 0 HB3 GLU A 115 6.188 10.761 -8.545 1.00 1.41 H new ATOM 0 HG2 GLU A 115 5.143 10.475 -6.379 1.00 44.03 H new ATOM 0 HG3 GLU A 115 6.656 10.784 -5.552 1.00 44.03 H new ATOM 1707 N TYR A 116 6.221 7.282 -6.716 1.00 61.11 N ATOM 1708 CA TYR A 116 5.263 6.186 -6.687 1.00 1.22 C ATOM 1709 C TYR A 116 4.245 6.419 -5.596 1.00 64.55 C ATOM 1710 O TYR A 116 4.507 7.134 -4.634 1.00 41.44 O ATOM 1711 CB TYR A 116 5.949 4.843 -6.412 1.00 31.53 C ATOM 1712 CG TYR A 116 7.307 4.676 -7.050 1.00 0.32 C ATOM 1713 CD1 TYR A 116 7.456 4.535 -8.425 1.00 42.12 C ATOM 1714 CD2 TYR A 116 8.439 4.634 -6.258 1.00 5.55 C ATOM 1715 CE1 TYR A 116 8.705 4.355 -8.986 1.00 22.03 C ATOM 1716 CE2 TYR A 116 9.683 4.461 -6.806 1.00 71.20 C ATOM 1717 CZ TYR A 116 9.815 4.319 -8.169 1.00 51.03 C ATOM 1718 OH TYR A 116 11.059 4.129 -8.707 1.00 35.55 O ATOM 0 H TYR A 116 6.884 7.283 -5.940 1.00 61.11 H new ATOM 0 HA TYR A 116 4.784 6.152 -7.666 1.00 1.22 H new ATOM 0 HB2 TYR A 116 6.053 4.720 -5.334 1.00 31.53 H new ATOM 0 HB3 TYR A 116 5.299 4.042 -6.763 1.00 31.53 H new ATOM 0 HD1 TYR A 116 6.585 4.567 -9.062 1.00 42.12 H new ATOM 0 HD2 TYR A 116 8.341 4.739 -5.188 1.00 5.55 H new ATOM 0 HE1 TYR A 116 8.811 4.243 -10.055 1.00 22.03 H new ATOM 0 HE2 TYR A 116 10.556 4.436 -6.171 1.00 71.20 H new ATOM 0 HH TYR A 116 10.977 3.956 -9.668 1.00 35.55 H new ATOM 1728 N ILE A 117 3.070 5.835 -5.762 1.00 31.22 N ATOM 1729 CA ILE A 117 2.066 5.840 -4.717 1.00 70.10 C ATOM 1730 C ILE A 117 1.537 4.420 -4.540 1.00 24.13 C ATOM 1731 O ILE A 117 0.816 3.902 -5.399 1.00 24.22 O ATOM 1732 CB ILE A 117 0.863 6.820 -4.977 1.00 62.33 C ATOM 1733 CG1 ILE A 117 1.309 8.272 -5.228 1.00 45.12 C ATOM 1734 CG2 ILE A 117 -0.084 6.804 -3.786 1.00 23.30 C ATOM 1735 CD1 ILE A 117 1.539 8.618 -6.689 1.00 52.42 C ATOM 0 H ILE A 117 2.790 5.350 -6.615 1.00 31.22 H new ATOM 0 HA ILE A 117 2.556 6.205 -3.814 1.00 70.10 H new ATOM 0 HB ILE A 117 0.366 6.464 -5.880 1.00 62.33 H new ATOM 0 HG12 ILE A 117 0.554 8.946 -4.823 1.00 45.12 H new ATOM 0 HG13 ILE A 117 2.230 8.456 -4.675 1.00 45.12 H new ATOM 0 HG21 ILE A 117 -0.915 7.485 -3.972 1.00 23.30 H new ATOM 0 HG22 ILE A 117 -0.468 5.794 -3.640 1.00 23.30 H new ATOM 0 HG23 ILE A 117 0.451 7.122 -2.891 1.00 23.30 H new ATOM 0 HD11 ILE A 117 1.850 9.659 -6.772 1.00 52.42 H new ATOM 0 HD12 ILE A 117 2.317 7.973 -7.097 1.00 52.42 H new ATOM 0 HD13 ILE A 117 0.615 8.470 -7.248 1.00 52.42 H new ATOM 1747 N VAL A 118 1.923 3.787 -3.442 1.00 63.24 N ATOM 1748 CA VAL A 118 1.424 2.456 -3.110 1.00 11.10 C ATOM 1749 C VAL A 118 0.080 2.610 -2.411 1.00 24.23 C ATOM 1750 O VAL A 118 -0.049 3.402 -1.474 1.00 12.22 O ATOM 1751 CB VAL A 118 2.420 1.664 -2.215 1.00 22.23 C ATOM 1752 CG1 VAL A 118 1.937 0.236 -1.972 1.00 60.23 C ATOM 1753 CG2 VAL A 118 3.809 1.644 -2.839 1.00 32.24 C ATOM 0 H VAL A 118 2.581 4.172 -2.764 1.00 63.24 H new ATOM 0 HA VAL A 118 1.311 1.882 -4.030 1.00 11.10 H new ATOM 0 HB VAL A 118 2.472 2.175 -1.254 1.00 22.23 H new ATOM 0 HG11 VAL A 118 2.656 -0.289 -1.343 1.00 60.23 H new ATOM 0 HG12 VAL A 118 0.968 0.260 -1.473 1.00 60.23 H new ATOM 0 HG13 VAL A 118 1.842 -0.283 -2.926 1.00 60.23 H new ATOM 0 HG21 VAL A 118 4.489 1.085 -2.196 1.00 32.24 H new ATOM 0 HG22 VAL A 118 3.761 1.167 -3.818 1.00 32.24 H new ATOM 0 HG23 VAL A 118 4.173 2.666 -2.950 1.00 32.24 H new ATOM 1763 N SER A 119 -0.923 1.884 -2.889 1.00 11.02 N ATOM 1764 CA SER A 119 -2.267 2.016 -2.368 1.00 15.02 C ATOM 1765 C SER A 119 -2.713 0.720 -1.710 1.00 5.10 C ATOM 1766 O SER A 119 -2.684 -0.343 -2.321 1.00 0.01 O ATOM 1767 CB SER A 119 -3.230 2.403 -3.494 1.00 11.22 C ATOM 1768 OG SER A 119 -2.767 3.546 -4.192 1.00 52.13 O ATOM 0 H SER A 119 -0.825 1.198 -3.638 1.00 11.02 H new ATOM 0 HA SER A 119 -2.274 2.803 -1.614 1.00 15.02 H new ATOM 0 HB2 SER A 119 -3.338 1.569 -4.187 1.00 11.22 H new ATOM 0 HB3 SER A 119 -4.218 2.602 -3.079 1.00 11.22 H new ATOM 0 HG SER A 119 -3.399 3.771 -4.906 1.00 52.13 H new ATOM 1774 N LEU A 120 -3.103 0.822 -0.458 1.00 71.45 N ATOM 1775 CA LEU A 120 -3.688 -0.292 0.265 1.00 2.43 C ATOM 1776 C LEU A 120 -5.135 0.061 0.549 1.00 4.31 C ATOM 1777 O LEU A 120 -5.432 1.098 1.135 1.00 52.21 O ATOM 1778 CB LEU A 120 -2.878 -0.559 1.562 1.00 54.52 C ATOM 1779 CG LEU A 120 -3.182 -1.835 2.398 1.00 72.10 C ATOM 1780 CD1 LEU A 120 -4.414 -1.669 3.254 1.00 52.14 C ATOM 1781 CD2 LEU A 120 -3.322 -3.067 1.519 1.00 74.31 C ATOM 0 H LEU A 120 -3.025 1.679 0.090 1.00 71.45 H new ATOM 0 HA LEU A 120 -3.655 -1.212 -0.318 1.00 2.43 H new ATOM 0 HB2 LEU A 120 -1.823 -0.589 1.289 1.00 54.52 H new ATOM 0 HB3 LEU A 120 -3.014 0.302 2.217 1.00 54.52 H new ATOM 0 HG LEU A 120 -2.326 -1.979 3.057 1.00 72.10 H new ATOM 0 HD11 LEU A 120 -4.589 -2.583 3.821 1.00 52.14 H new ATOM 0 HD12 LEU A 120 -4.269 -0.837 3.943 1.00 52.14 H new ATOM 0 HD13 LEU A 120 -5.275 -1.466 2.617 1.00 52.14 H new ATOM 0 HD21 LEU A 120 -3.534 -3.936 2.142 1.00 74.31 H new ATOM 0 HD22 LEU A 120 -4.139 -2.919 0.813 1.00 74.31 H new ATOM 0 HD23 LEU A 120 -2.394 -3.231 0.971 1.00 74.31 H new ATOM 1793 N ILE A 121 -6.033 -0.801 0.129 1.00 42.11 N ATOM 1794 CA ILE A 121 -7.443 -0.617 0.384 1.00 34.23 C ATOM 1795 C ILE A 121 -7.992 -1.890 1.018 1.00 14.41 C ATOM 1796 O ILE A 121 -7.859 -2.979 0.480 1.00 73.12 O ATOM 1797 CB ILE A 121 -8.218 -0.160 -0.915 1.00 72.32 C ATOM 1798 CG1 ILE A 121 -9.769 -0.074 -0.719 1.00 52.52 C ATOM 1799 CG2 ILE A 121 -7.838 -0.992 -2.147 1.00 74.42 C ATOM 1800 CD1 ILE A 121 -10.571 -1.333 -1.015 1.00 11.24 C ATOM 0 H ILE A 121 -5.808 -1.646 -0.397 1.00 42.11 H new ATOM 0 HA ILE A 121 -7.595 0.199 1.090 1.00 34.23 H new ATOM 0 HB ILE A 121 -7.886 0.861 -1.105 1.00 72.32 H new ATOM 0 HG12 ILE A 121 -9.965 0.218 0.313 1.00 52.52 H new ATOM 0 HG13 ILE A 121 -10.147 0.727 -1.355 1.00 52.52 H new ATOM 0 HG21 ILE A 121 -8.398 -0.638 -3.012 1.00 74.42 H new ATOM 0 HG22 ILE A 121 -6.770 -0.890 -2.340 1.00 74.42 H new ATOM 0 HG23 ILE A 121 -8.075 -2.040 -1.965 1.00 74.42 H new ATOM 0 HD11 ILE A 121 -11.629 -1.140 -0.840 1.00 11.24 H new ATOM 0 HD12 ILE A 121 -10.422 -1.623 -2.055 1.00 11.24 H new ATOM 0 HD13 ILE A 121 -10.237 -2.139 -0.362 1.00 11.24 H new ATOM 1812 N VAL A 122 -8.559 -1.745 2.198 1.00 62.42 N ATOM 1813 CA VAL A 122 -9.191 -2.863 2.883 1.00 11.22 C ATOM 1814 C VAL A 122 -10.682 -2.633 2.995 1.00 63.33 C ATOM 1815 O VAL A 122 -11.141 -1.494 2.972 1.00 24.34 O ATOM 1816 CB VAL A 122 -8.586 -3.138 4.283 1.00 63.42 C ATOM 1817 CG1 VAL A 122 -7.243 -3.823 4.145 1.00 35.02 C ATOM 1818 CG2 VAL A 122 -8.440 -1.864 5.095 1.00 74.22 C ATOM 0 H VAL A 122 -8.597 -0.862 2.707 1.00 62.42 H new ATOM 0 HA VAL A 122 -8.999 -3.749 2.278 1.00 11.22 H new ATOM 0 HB VAL A 122 -9.274 -3.793 4.817 1.00 63.42 H new ATOM 0 HG11 VAL A 122 -6.827 -4.011 5.135 1.00 35.02 H new ATOM 0 HG12 VAL A 122 -7.369 -4.769 3.619 1.00 35.02 H new ATOM 0 HG13 VAL A 122 -6.564 -3.182 3.582 1.00 35.02 H new ATOM 0 HG21 VAL A 122 -8.013 -2.101 6.069 1.00 74.22 H new ATOM 0 HG22 VAL A 122 -7.783 -1.171 4.569 1.00 74.22 H new ATOM 0 HG23 VAL A 122 -9.419 -1.405 5.230 1.00 74.22 H new ATOM 1828 N SER A 123 -11.436 -3.712 3.109 1.00 61.24 N ATOM 1829 CA SER A 123 -12.884 -3.632 3.074 1.00 65.53 C ATOM 1830 C SER A 123 -13.501 -4.448 4.200 1.00 60.35 C ATOM 1831 O SER A 123 -12.863 -5.343 4.767 1.00 22.30 O ATOM 1832 CB SER A 123 -13.406 -4.123 1.718 1.00 11.14 C ATOM 1833 OG SER A 123 -12.904 -3.328 0.657 1.00 65.31 O ATOM 0 H SER A 123 -11.068 -4.656 3.227 1.00 61.24 H new ATOM 0 HA SER A 123 -13.172 -2.590 3.211 1.00 65.53 H new ATOM 0 HB2 SER A 123 -13.113 -5.162 1.567 1.00 11.14 H new ATOM 0 HB3 SER A 123 -14.496 -4.095 1.713 1.00 11.14 H new ATOM 0 HG SER A 123 -13.251 -3.664 -0.196 1.00 65.31 H new ATOM 1839 N ASN A 124 -14.729 -4.083 4.529 1.00 31.42 N ATOM 1840 CA ASN A 124 -15.573 -4.806 5.466 1.00 34.51 C ATOM 1841 C ASN A 124 -17.023 -4.570 5.013 1.00 1.35 C ATOM 1842 O ASN A 124 -17.241 -3.851 4.033 1.00 75.15 O ATOM 1843 CB ASN A 124 -15.318 -4.298 6.907 1.00 2.11 C ATOM 1844 CG ASN A 124 -15.946 -5.157 7.997 1.00 3.24 C ATOM 1845 OD1 ASN A 124 -16.165 -6.352 7.816 1.00 61.32 O ATOM 1846 ND2 ASN A 124 -16.265 -4.546 9.121 1.00 64.22 N ATOM 0 H ASN A 124 -15.178 -3.253 4.141 1.00 31.42 H new ATOM 0 HA ASN A 124 -15.357 -5.874 5.476 1.00 34.51 H new ATOM 0 HB2 ASN A 124 -14.242 -4.247 7.076 1.00 2.11 H new ATOM 0 HB3 ASN A 124 -15.703 -3.282 6.995 1.00 2.11 H new ATOM 0 HD21 ASN A 124 -16.709 -5.068 9.877 1.00 64.22 H new ATOM 0 HD22 ASN A 124 -16.067 -3.552 9.235 1.00 64.22 H new ATOM 1853 N GLU A 125 -18.007 -5.144 5.708 1.00 20.13 N ATOM 1854 CA GLU A 125 -19.413 -4.976 5.352 1.00 0.50 C ATOM 1855 C GLU A 125 -19.960 -3.618 5.816 1.00 3.52 C ATOM 1856 O GLU A 125 -21.038 -3.198 5.388 1.00 43.31 O ATOM 1857 CB GLU A 125 -20.253 -6.118 5.938 1.00 55.10 C ATOM 1858 CG GLU A 125 -20.094 -6.318 7.442 1.00 71.20 C ATOM 1859 CD GLU A 125 -20.963 -7.434 7.971 1.00 24.22 C ATOM 1860 OE1 GLU A 125 -22.120 -7.164 8.347 1.00 44.03 O ATOM 1861 OE2 GLU A 125 -20.499 -8.586 8.011 1.00 42.23 O ATOM 0 H GLU A 125 -17.852 -5.733 6.526 1.00 20.13 H new ATOM 0 HA GLU A 125 -19.482 -5.005 4.265 1.00 0.50 H new ATOM 0 HB2 GLU A 125 -21.304 -5.927 5.719 1.00 55.10 H new ATOM 0 HB3 GLU A 125 -19.985 -7.045 5.431 1.00 55.10 H new ATOM 0 HG2 GLU A 125 -19.050 -6.536 7.668 1.00 71.20 H new ATOM 0 HG3 GLU A 125 -20.345 -5.391 7.957 1.00 71.20 H new ATOM 1868 N ASN A 126 -19.195 -2.940 6.675 1.00 15.43 N ATOM 1869 CA ASN A 126 -19.569 -1.633 7.198 1.00 3.12 C ATOM 1870 C ASN A 126 -19.130 -0.545 6.209 1.00 11.14 C ATOM 1871 O ASN A 126 -19.948 0.257 5.747 1.00 43.41 O ATOM 1872 CB ASN A 126 -18.890 -1.407 8.558 1.00 21.25 C ATOM 1873 CG ASN A 126 -19.498 -0.268 9.379 1.00 23.54 C ATOM 1874 OD1 ASN A 126 -20.187 0.611 8.869 1.00 31.12 O ATOM 1875 ND2 ASN A 126 -19.201 -0.256 10.661 1.00 43.10 N ATOM 0 H ASN A 126 -18.301 -3.285 7.024 1.00 15.43 H new ATOM 0 HA ASN A 126 -20.650 -1.588 7.328 1.00 3.12 H new ATOM 0 HB2 ASN A 126 -18.946 -2.328 9.138 1.00 21.25 H new ATOM 0 HB3 ASN A 126 -17.833 -1.198 8.394 1.00 21.25 H new ATOM 0 HD21 ASN A 126 -19.545 0.497 11.257 1.00 43.10 H new ATOM 0 HD22 ASN A 126 -18.626 -0.999 11.058 1.00 43.10 H new ATOM 1882 N ASP A 127 -17.834 -0.539 5.894 1.00 63.42 N ATOM 1883 CA ASP A 127 -17.235 0.470 5.025 1.00 23.13 C ATOM 1884 C ASP A 127 -15.905 -0.056 4.491 1.00 51.34 C ATOM 1885 O ASP A 127 -15.493 -1.164 4.836 1.00 2.13 O ATOM 1886 CB ASP A 127 -17.015 1.781 5.812 1.00 65.00 C ATOM 1887 CG ASP A 127 -17.215 3.027 4.973 1.00 31.15 C ATOM 1888 OD1 ASP A 127 -18.351 3.518 4.901 1.00 44.00 O ATOM 1889 OD2 ASP A 127 -16.238 3.528 4.389 1.00 62.01 O ATOM 0 H ASP A 127 -17.171 -1.235 6.235 1.00 63.42 H new ATOM 0 HA ASP A 127 -17.903 0.677 4.189 1.00 23.13 H new ATOM 0 HB2 ASP A 127 -17.701 1.808 6.658 1.00 65.00 H new ATOM 0 HB3 ASP A 127 -16.005 1.786 6.221 1.00 65.00 H new ATOM 1894 N SER A 128 -15.252 0.719 3.637 1.00 0.41 N ATOM 1895 CA SER A 128 -13.909 0.412 3.179 1.00 30.35 C ATOM 1896 C SER A 128 -12.992 1.596 3.449 1.00 50.44 C ATOM 1897 O SER A 128 -13.416 2.754 3.359 1.00 61.24 O ATOM 1898 CB SER A 128 -13.908 0.050 1.691 1.00 14.31 C ATOM 1899 OG SER A 128 -14.513 1.069 0.915 1.00 12.15 O ATOM 0 H SER A 128 -15.640 1.577 3.244 1.00 0.41 H new ATOM 0 HA SER A 128 -13.539 -0.453 3.729 1.00 30.35 H new ATOM 0 HB2 SER A 128 -12.884 -0.108 1.353 1.00 14.31 H new ATOM 0 HB3 SER A 128 -14.441 -0.889 1.542 1.00 14.31 H new ATOM 0 HG SER A 128 -14.497 0.813 -0.031 1.00 12.15 H new ATOM 1905 N ASP A 129 -11.750 1.310 3.788 1.00 41.32 N ATOM 1906 CA ASP A 129 -10.800 2.335 4.158 1.00 2.14 C ATOM 1907 C ASP A 129 -9.556 2.181 3.307 1.00 22.21 C ATOM 1908 O ASP A 129 -9.058 1.066 3.131 1.00 1.01 O ATOM 1909 CB ASP A 129 -10.458 2.216 5.645 1.00 5.15 C ATOM 1910 CG ASP A 129 -9.714 3.423 6.175 1.00 34.43 C ATOM 1911 OD1 ASP A 129 -10.325 4.501 6.271 1.00 13.33 O ATOM 1912 OD2 ASP A 129 -8.528 3.299 6.516 1.00 64.11 O ATOM 0 H ASP A 129 -11.374 0.362 3.814 1.00 41.32 H new ATOM 0 HA ASP A 129 -11.230 3.322 3.987 1.00 2.14 H new ATOM 0 HB2 ASP A 129 -11.378 2.083 6.215 1.00 5.15 H new ATOM 0 HB3 ASP A 129 -9.853 1.324 5.803 1.00 5.15 H new ATOM 1917 N SER A 130 -9.073 3.282 2.748 1.00 74.21 N ATOM 1918 CA SER A 130 -7.929 3.242 1.858 1.00 61.14 C ATOM 1919 C SER A 130 -6.858 4.231 2.316 1.00 74.12 C ATOM 1920 O SER A 130 -7.166 5.337 2.776 1.00 1.04 O ATOM 1921 CB SER A 130 -8.360 3.586 0.428 1.00 21.10 C ATOM 1922 OG SER A 130 -9.620 3.020 0.103 1.00 31.33 O ATOM 0 H SER A 130 -9.459 4.214 2.898 1.00 74.21 H new ATOM 0 HA SER A 130 -7.515 2.234 1.880 1.00 61.14 H new ATOM 0 HB2 SER A 130 -8.409 4.669 0.314 1.00 21.10 H new ATOM 0 HB3 SER A 130 -7.608 3.225 -0.274 1.00 21.10 H new ATOM 0 HG SER A 130 -9.861 3.263 -0.815 1.00 31.33 H new ATOM 1928 N ALA A 131 -5.604 3.823 2.203 1.00 2.23 N ATOM 1929 CA ALA A 131 -4.468 4.679 2.512 1.00 52.11 C ATOM 1930 C ALA A 131 -3.412 4.540 1.453 1.00 42.11 C ATOM 1931 O ALA A 131 -3.285 3.495 0.807 1.00 0.12 O ATOM 1932 CB ALA A 131 -3.886 4.358 3.880 1.00 3.13 C ATOM 0 H ALA A 131 -5.344 2.887 1.894 1.00 2.23 H new ATOM 0 HA ALA A 131 -4.821 5.710 2.533 1.00 52.11 H new ATOM 0 HB1 ALA A 131 -3.040 5.015 4.079 1.00 3.13 H new ATOM 0 HB2 ALA A 131 -4.649 4.507 4.644 1.00 3.13 H new ATOM 0 HB3 ALA A 131 -3.552 3.321 3.899 1.00 3.13 H new ATOM 1938 N SER A 132 -2.668 5.612 1.258 1.00 22.52 N ATOM 1939 CA SER A 132 -1.669 5.674 0.225 1.00 34.11 C ATOM 1940 C SER A 132 -0.464 6.476 0.706 1.00 21.43 C ATOM 1941 O SER A 132 -0.622 7.486 1.399 1.00 50.33 O ATOM 1942 CB SER A 132 -2.285 6.315 -1.015 1.00 35.33 C ATOM 1943 OG SER A 132 -3.266 5.472 -1.588 1.00 74.44 O ATOM 0 H SER A 132 -2.745 6.462 1.816 1.00 22.52 H new ATOM 0 HA SER A 132 -1.326 4.669 -0.021 1.00 34.11 H new ATOM 0 HB2 SER A 132 -2.734 7.272 -0.749 1.00 35.33 H new ATOM 0 HB3 SER A 132 -1.505 6.521 -1.748 1.00 35.33 H new ATOM 0 HG SER A 132 -2.873 4.974 -2.335 1.00 74.44 H new ATOM 1949 N VAL A 133 0.732 6.021 0.348 1.00 32.20 N ATOM 1950 CA VAL A 133 1.955 6.701 0.744 1.00 61.33 C ATOM 1951 C VAL A 133 2.826 6.957 -0.497 1.00 64.31 C ATOM 1952 O VAL A 133 2.860 6.141 -1.429 1.00 44.30 O ATOM 1953 CB VAL A 133 2.725 5.905 1.860 1.00 13.55 C ATOM 1954 CG1 VAL A 133 3.246 4.560 1.370 1.00 62.41 C ATOM 1955 CG2 VAL A 133 3.859 6.730 2.463 1.00 52.12 C ATOM 0 H VAL A 133 0.878 5.184 -0.216 1.00 32.20 H new ATOM 0 HA VAL A 133 1.698 7.664 1.185 1.00 61.33 H new ATOM 0 HB VAL A 133 1.993 5.704 2.642 1.00 13.55 H new ATOM 0 HG11 VAL A 133 3.769 4.055 2.182 1.00 62.41 H new ATOM 0 HG12 VAL A 133 2.410 3.945 1.039 1.00 62.41 H new ATOM 0 HG13 VAL A 133 3.933 4.717 0.538 1.00 62.41 H new ATOM 0 HG21 VAL A 133 4.366 6.145 3.230 1.00 52.12 H new ATOM 0 HG22 VAL A 133 4.570 6.998 1.681 1.00 52.12 H new ATOM 0 HG23 VAL A 133 3.452 7.637 2.909 1.00 52.12 H new ATOM 1965 N THR A 134 3.479 8.113 -0.524 1.00 3.51 N ATOM 1966 CA THR A 134 4.330 8.499 -1.630 1.00 30.13 C ATOM 1967 C THR A 134 5.759 7.993 -1.410 1.00 73.11 C ATOM 1968 O THR A 134 6.425 8.356 -0.437 1.00 53.21 O ATOM 1969 CB THR A 134 4.306 10.034 -1.801 1.00 0.43 C ATOM 1970 OG1 THR A 134 2.951 10.464 -1.977 1.00 34.05 O ATOM 1971 CG2 THR A 134 5.129 10.489 -2.994 1.00 72.21 C ATOM 0 H THR A 134 3.430 8.805 0.223 1.00 3.51 H new ATOM 0 HA THR A 134 3.952 8.043 -2.545 1.00 30.13 H new ATOM 0 HB THR A 134 4.742 10.476 -0.905 1.00 0.43 H new ATOM 0 HG1 THR A 134 2.928 11.438 -2.084 1.00 34.05 H new ATOM 0 HG21 THR A 134 5.083 11.575 -3.075 1.00 72.21 H new ATOM 0 HG22 THR A 134 6.165 10.179 -2.861 1.00 72.21 H new ATOM 0 HG23 THR A 134 4.730 10.040 -3.904 1.00 72.21 H new ATOM 1979 N ILE A 135 6.185 7.123 -2.312 1.00 11.21 N ATOM 1980 CA ILE A 135 7.526 6.558 -2.297 1.00 3.12 C ATOM 1981 C ILE A 135 8.395 7.375 -3.240 1.00 23.52 C ATOM 1982 O ILE A 135 8.050 7.548 -4.411 1.00 73.55 O ATOM 1983 CB ILE A 135 7.541 5.067 -2.757 1.00 12.41 C ATOM 1984 CG1 ILE A 135 6.381 4.255 -2.133 1.00 32.22 C ATOM 1985 CG2 ILE A 135 8.884 4.410 -2.436 1.00 64.21 C ATOM 1986 CD1 ILE A 135 6.376 4.196 -0.616 1.00 54.54 C ATOM 0 H ILE A 135 5.606 6.786 -3.081 1.00 11.21 H new ATOM 0 HA ILE A 135 7.902 6.591 -1.274 1.00 3.12 H new ATOM 0 HB ILE A 135 7.399 5.066 -3.838 1.00 12.41 H new ATOM 0 HG12 ILE A 135 5.437 4.685 -2.467 1.00 32.22 H new ATOM 0 HG13 ILE A 135 6.422 3.237 -2.520 1.00 32.22 H new ATOM 0 HG21 ILE A 135 8.869 3.371 -2.766 1.00 64.21 H new ATOM 0 HG22 ILE A 135 9.682 4.943 -2.952 1.00 64.21 H new ATOM 0 HG23 ILE A 135 9.059 4.446 -1.361 1.00 64.21 H new ATOM 0 HD11 ILE A 135 5.525 3.605 -0.278 1.00 54.54 H new ATOM 0 HD12 ILE A 135 7.300 3.735 -0.267 1.00 54.54 H new ATOM 0 HD13 ILE A 135 6.299 5.206 -0.213 1.00 54.54 H new ATOM 1998 N ARG A 136 9.502 7.893 -2.743 1.00 24.42 N ATOM 1999 CA ARG A 136 10.371 8.714 -3.563 1.00 35.03 C ATOM 2000 C ARG A 136 11.648 7.956 -3.881 1.00 61.12 C ATOM 2001 O ARG A 136 12.405 7.607 -2.976 1.00 2.53 O ATOM 2002 CB ARG A 136 10.724 10.036 -2.875 1.00 74.34 C ATOM 2003 CG ARG A 136 9.528 10.827 -2.361 1.00 73.30 C ATOM 2004 CD ARG A 136 9.875 12.295 -2.143 1.00 3.45 C ATOM 2005 NE ARG A 136 11.047 12.495 -1.271 1.00 3.42 N ATOM 2006 CZ ARG A 136 12.103 13.253 -1.602 1.00 3.54 C ATOM 2007 NH1 ARG A 136 12.164 13.843 -2.796 1.00 23.43 N ATOM 2008 NH2 ARG A 136 13.112 13.404 -0.751 1.00 64.41 N ATOM 0 H ARG A 136 9.819 7.761 -1.783 1.00 24.42 H new ATOM 0 HA ARG A 136 9.832 8.945 -4.482 1.00 35.03 H new ATOM 0 HB2 ARG A 136 11.391 9.827 -2.038 1.00 74.34 H new ATOM 0 HB3 ARG A 136 11.279 10.658 -3.577 1.00 74.34 H new ATOM 0 HG2 ARG A 136 8.707 10.749 -3.073 1.00 73.30 H new ATOM 0 HG3 ARG A 136 9.180 10.392 -1.424 1.00 73.30 H new ATOM 0 HD2 ARG A 136 10.065 12.763 -3.109 1.00 3.45 H new ATOM 0 HD3 ARG A 136 9.015 12.803 -1.706 1.00 3.45 H new ATOM 0 HE ARG A 136 11.055 12.030 -0.363 1.00 3.42 H new ATOM 0 HH11 ARG A 136 11.404 13.720 -3.465 1.00 23.43 H new ATOM 0 HH12 ARG A 136 12.970 14.418 -3.040 1.00 23.43 H new ATOM 0 HH21 ARG A 136 13.086 12.943 0.158 1.00 64.41 H new ATOM 0 HH22 ARG A 136 13.913 13.981 -1.007 1.00 64.41 H new ATOM 2022 N ALA A 137 11.873 7.699 -5.161 1.00 10.04 N ATOM 2023 CA ALA A 137 13.096 7.050 -5.592 1.00 52.33 C ATOM 2024 C ALA A 137 14.094 8.091 -6.043 1.00 44.23 C ATOM 2025 O ALA A 137 13.774 8.942 -6.870 1.00 44.22 O ATOM 2026 CB ALA A 137 12.840 6.055 -6.701 1.00 35.53 C ATOM 0 H ALA A 137 11.226 7.930 -5.915 1.00 10.04 H new ATOM 0 HA ALA A 137 13.502 6.498 -4.744 1.00 52.33 H new ATOM 0 HB1 ALA A 137 13.780 5.590 -6.997 1.00 35.53 H new ATOM 0 HB2 ALA A 137 12.150 5.288 -6.349 1.00 35.53 H new ATOM 0 HB3 ALA A 137 12.405 6.569 -7.558 1.00 35.53 H new ATOM 2032 N LEU A 138 15.293 8.021 -5.485 1.00 45.42 N ATOM 2033 CA LEU A 138 16.329 8.994 -5.770 1.00 30.13 C ATOM 2034 C LEU A 138 16.958 8.705 -7.116 1.00 22.50 C ATOM 2035 O LEU A 138 17.320 7.564 -7.408 1.00 63.33 O ATOM 2036 CB LEU A 138 17.386 9.019 -4.660 1.00 33.12 C ATOM 2037 CG LEU A 138 16.868 9.366 -3.255 1.00 64.43 C ATOM 2038 CD1 LEU A 138 18.025 9.434 -2.272 1.00 5.14 C ATOM 2039 CD2 LEU A 138 16.095 10.678 -3.268 1.00 11.33 C ATOM 0 H LEU A 138 15.571 7.293 -4.827 1.00 45.42 H new ATOM 0 HA LEU A 138 15.872 9.983 -5.807 1.00 30.13 H new ATOM 0 HB2 LEU A 138 17.867 8.042 -4.619 1.00 33.12 H new ATOM 0 HB3 LEU A 138 18.155 9.741 -4.932 1.00 33.12 H new ATOM 0 HG LEU A 138 16.185 8.579 -2.936 1.00 64.43 H new ATOM 0 HD11 LEU A 138 17.646 9.681 -1.280 1.00 5.14 H new ATOM 0 HD12 LEU A 138 18.530 8.469 -2.238 1.00 5.14 H new ATOM 0 HD13 LEU A 138 18.730 10.201 -2.592 1.00 5.14 H new ATOM 0 HD21 LEU A 138 15.739 10.901 -2.262 1.00 11.33 H new ATOM 0 HD22 LEU A 138 16.748 11.482 -3.608 1.00 11.33 H new ATOM 0 HD23 LEU A 138 15.244 10.592 -3.943 1.00 11.33 H new