USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=23 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 90 SER OG : rot 85:sc= 0.701 USER MOD Set 1.2: A 123 SER OG : rot 180:sc= 0.624 USER MOD Set 2.1: A 89 THR OG1 : rot -160:sc= -0.149 USER MOD Set 2.2: A 124 ASN : amide:sc= 0.0875 K(o=-0.062,f=-2.8!) USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc=-0.00743 K(o=-0.0074,f=-0.93) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.771 K(o=-0.77,f=-0.0079) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.59) 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 -117:sc= 0.525 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0116 USER MOD Single : A 78 SER OG : rot 44:sc= 0.0626 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 90:sc= 0.137 USER MOD Single : A 87 ASN : amide:sc= -0.0394 X(o=-0.039,f=-0.039) USER MOD Single : A 94 MET CE :methyl 170:sc= -0.0183 (180deg=-0.18) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.00192 USER MOD Single : A 109 THR OG1 : rot -83:sc= 0.694 USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 TYR OH : rot -147:sc= -0.118 USER MOD Single : A 119 SER OG : rot 30:sc= 0.0562 USER MOD Single : A 126 ASN : amide:sc= -1.07 X(o=-1.1,f=-1.5) 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 132 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 9.455 95.074 108.893 1.00 20.13 N ATOM 35 CA ALA A 3 9.833 96.045 107.876 1.00 34.25 C ATOM 36 C ALA A 3 8.628 96.362 106.991 1.00 35.12 C ATOM 37 O ALA A 3 8.305 95.621 106.063 1.00 65.42 O ATOM 38 CB ALA A 3 11.002 95.523 107.055 1.00 41.14 C ATOM 0 HA ALA A 3 10.154 96.968 108.359 1.00 34.25 H new ATOM 0 HB1 ALA A 3 11.273 96.260 106.299 1.00 41.14 H new ATOM 0 HB2 ALA A 3 11.855 95.344 107.709 1.00 41.14 H new ATOM 0 HB3 ALA A 3 10.717 94.591 106.567 1.00 41.14 H new ATOM 44 N ARG A 4 7.943 97.445 107.335 1.00 62.14 N ATOM 45 CA ARG A 4 6.702 97.827 106.681 1.00 52.54 C ATOM 46 C ARG A 4 6.976 98.772 105.504 1.00 65.02 C ATOM 47 O ARG A 4 7.229 99.970 105.686 1.00 2.32 O ATOM 48 CB ARG A 4 5.770 98.477 107.717 1.00 11.04 C ATOM 49 CG ARG A 4 4.385 98.823 107.200 1.00 44.15 C ATOM 50 CD ARG A 4 3.566 99.516 108.275 1.00 62.02 C ATOM 51 NE ARG A 4 2.244 99.933 107.797 1.00 44.14 N ATOM 52 CZ ARG A 4 1.411 100.733 108.478 1.00 11.25 C ATOM 53 NH1 ARG A 4 1.764 101.239 109.658 1.00 41.13 N ATOM 54 NH2 ARG A 4 0.223 101.040 107.968 1.00 31.43 N ATOM 0 H ARG A 4 8.234 98.083 108.076 1.00 62.14 H new ATOM 0 HA ARG A 4 6.215 96.941 106.274 1.00 52.54 H new ATOM 0 HB2 ARG A 4 5.667 97.802 108.566 1.00 11.04 H new ATOM 0 HB3 ARG A 4 6.241 99.387 108.089 1.00 11.04 H new ATOM 0 HG2 ARG A 4 4.469 99.470 106.327 1.00 44.15 H new ATOM 0 HG3 ARG A 4 3.875 97.915 106.877 1.00 44.15 H new ATOM 0 HD2 ARG A 4 3.445 98.844 109.124 1.00 62.02 H new ATOM 0 HD3 ARG A 4 4.110 100.389 108.634 1.00 62.02 H new ATOM 0 HE ARG A 4 1.938 99.592 106.886 1.00 44.14 H new ATOM 0 HH11 ARG A 4 2.678 101.019 110.054 1.00 41.13 H new ATOM 0 HH12 ARG A 4 1.121 101.846 110.166 1.00 41.13 H new ATOM 0 HH21 ARG A 4 -0.054 100.667 107.060 1.00 31.43 H new ATOM 0 HH22 ARG A 4 -0.412 101.648 108.485 1.00 31.43 H new ATOM 68 N ASP A 5 6.960 98.208 104.302 1.00 50.14 N ATOM 69 CA ASP A 5 7.165 98.970 103.081 1.00 5.24 C ATOM 70 C ASP A 5 6.185 98.505 102.008 1.00 45.32 C ATOM 71 O ASP A 5 5.573 97.441 102.139 1.00 31.21 O ATOM 72 CB ASP A 5 8.627 98.836 102.588 1.00 64.43 C ATOM 73 CG ASP A 5 8.996 97.447 102.068 1.00 31.15 C ATOM 74 OD1 ASP A 5 9.251 96.532 102.878 1.00 64.12 O ATOM 75 OD2 ASP A 5 9.043 97.271 100.835 1.00 2.03 O ATOM 0 H ASP A 5 6.805 97.212 104.149 1.00 50.14 H new ATOM 0 HA ASP A 5 6.980 100.024 103.290 1.00 5.24 H new ATOM 0 HB2 ASP A 5 8.798 99.564 101.795 1.00 64.43 H new ATOM 0 HB3 ASP A 5 9.298 99.094 103.407 1.00 64.43 H new ATOM 80 N ASN A 6 6.037 99.303 100.954 1.00 61.32 N ATOM 81 CA ASN A 6 5.188 98.937 99.820 1.00 32.34 C ATOM 82 C ASN A 6 6.037 98.363 98.694 1.00 63.02 C ATOM 83 O ASN A 6 6.493 99.092 97.808 1.00 4.34 O ATOM 84 CB ASN A 6 4.377 100.138 99.308 1.00 73.24 C ATOM 85 CG ASN A 6 3.134 100.441 100.132 1.00 33.23 C ATOM 86 OD1 ASN A 6 3.072 100.167 101.331 1.00 53.01 O ATOM 87 ND2 ASN A 6 2.138 101.032 99.486 1.00 15.34 N ATOM 0 H ASN A 6 6.494 100.210 100.860 1.00 61.32 H new ATOM 0 HA ASN A 6 4.483 98.180 100.164 1.00 32.34 H new ATOM 0 HB2 ASN A 6 5.018 101.019 99.299 1.00 73.24 H new ATOM 0 HB3 ASN A 6 4.080 99.950 98.276 1.00 73.24 H new ATOM 0 HD21 ASN A 6 1.281 101.276 99.983 1.00 15.34 H new ATOM 0 HD22 ASN A 6 2.228 101.242 98.492 1.00 15.34 H new ATOM 94 N LYS A 7 6.282 97.056 98.762 1.00 52.55 N ATOM 95 CA LYS A 7 7.133 96.368 97.793 1.00 51.44 C ATOM 96 C LYS A 7 6.393 96.140 96.481 1.00 40.34 C ATOM 97 O LYS A 7 6.931 96.417 95.406 1.00 64.11 O ATOM 98 CB LYS A 7 7.594 95.030 98.366 1.00 55.34 C ATOM 99 CG LYS A 7 9.103 94.822 98.356 1.00 70.34 C ATOM 100 CD LYS A 7 9.660 94.658 96.948 1.00 71.32 C ATOM 101 CE LYS A 7 11.164 94.452 96.972 1.00 21.22 C ATOM 102 NZ LYS A 7 11.724 94.242 95.612 1.00 14.24 N ATOM 0 H LYS A 7 5.899 96.447 99.485 1.00 52.55 H new ATOM 0 HA LYS A 7 8.000 96.997 97.593 1.00 51.44 H new ATOM 0 HB2 LYS A 7 7.236 94.946 99.392 1.00 55.34 H new ATOM 0 HB3 LYS A 7 7.126 94.226 97.798 1.00 55.34 H new ATOM 0 HG2 LYS A 7 9.587 95.672 98.838 1.00 70.34 H new ATOM 0 HG3 LYS A 7 9.349 93.939 98.946 1.00 70.34 H new ATOM 0 HD2 LYS A 7 9.182 93.808 96.462 1.00 71.32 H new ATOM 0 HD3 LYS A 7 9.421 95.540 96.355 1.00 71.32 H new ATOM 0 HE2 LYS A 7 11.640 95.319 97.429 1.00 21.22 H new ATOM 0 HE3 LYS A 7 11.401 93.591 97.597 1.00 21.22 H new ATOM 0 HZ1 LYS A 7 12.753 94.106 95.677 1.00 14.24 H new ATOM 0 HZ2 LYS A 7 11.290 93.399 95.184 1.00 14.24 H new ATOM 0 HZ3 LYS A 7 11.522 95.074 95.021 1.00 14.24 H new ATOM 116 N PHE A 8 5.164 95.636 96.584 1.00 32.54 N ATOM 117 CA PHE A 8 4.346 95.348 95.415 1.00 54.45 C ATOM 118 C PHE A 8 3.825 96.639 94.773 1.00 15.10 C ATOM 119 O PHE A 8 3.158 97.457 95.416 1.00 2.42 O ATOM 120 CB PHE A 8 3.202 94.353 95.759 1.00 64.34 C ATOM 121 CG PHE A 8 2.267 94.758 96.885 1.00 10.13 C ATOM 122 CD1 PHE A 8 2.602 94.532 98.218 1.00 41.43 C ATOM 123 CD2 PHE A 8 1.042 95.348 96.606 1.00 12.53 C ATOM 124 CE1 PHE A 8 1.741 94.893 99.238 1.00 51.11 C ATOM 125 CE2 PHE A 8 0.179 95.707 97.624 1.00 2.40 C ATOM 126 CZ PHE A 8 0.528 95.480 98.939 1.00 34.22 C ATOM 0 H PHE A 8 4.714 95.419 97.473 1.00 32.54 H new ATOM 0 HA PHE A 8 4.976 94.858 94.673 1.00 54.45 H new ATOM 0 HB2 PHE A 8 2.606 94.195 94.860 1.00 64.34 H new ATOM 0 HB3 PHE A 8 3.650 93.393 96.016 1.00 64.34 H new ATOM 0 HD1 PHE A 8 3.547 94.068 98.458 1.00 41.43 H new ATOM 0 HD2 PHE A 8 0.759 95.529 95.579 1.00 12.53 H new ATOM 0 HE1 PHE A 8 2.017 94.716 100.267 1.00 51.11 H new ATOM 0 HE2 PHE A 8 -0.770 96.166 97.390 1.00 2.40 H new ATOM 0 HZ PHE A 8 -0.147 95.761 99.734 1.00 34.22 H new ATOM 136 N ASN A 9 4.206 96.834 93.517 1.00 44.20 N ATOM 137 CA ASN A 9 3.782 97.988 92.742 1.00 13.54 C ATOM 138 C ASN A 9 3.567 97.543 91.298 1.00 34.12 C ATOM 139 O ASN A 9 4.359 96.748 90.779 1.00 32.14 O ATOM 140 CB ASN A 9 4.828 99.110 92.828 1.00 25.23 C ATOM 141 CG ASN A 9 4.333 100.443 92.277 1.00 30.05 C ATOM 142 OD1 ASN A 9 3.135 100.741 92.300 1.00 45.31 O ATOM 143 ND2 ASN A 9 5.256 101.255 91.784 1.00 13.40 N ATOM 0 H ASN A 9 4.818 96.195 93.009 1.00 44.20 H new ATOM 0 HA ASN A 9 2.850 98.386 93.142 1.00 13.54 H new ATOM 0 HB2 ASN A 9 5.123 99.243 93.869 1.00 25.23 H new ATOM 0 HB3 ASN A 9 5.720 98.808 92.280 1.00 25.23 H new ATOM 0 HD21 ASN A 9 4.987 102.163 91.405 1.00 13.40 H new ATOM 0 HD22 ASN A 9 6.236 100.972 91.783 1.00 13.40 H new ATOM 150 N THR A 10 2.497 98.067 90.678 1.00 15.50 N ATOM 151 CA THR A 10 2.012 97.629 89.367 1.00 61.44 C ATOM 152 C THR A 10 1.580 96.153 89.437 1.00 43.11 C ATOM 153 O THR A 10 2.277 95.242 88.969 1.00 2.43 O ATOM 154 CB THR A 10 3.059 97.887 88.249 1.00 23.24 C ATOM 155 OG1 THR A 10 3.522 99.245 88.329 1.00 74.43 O ATOM 156 CG2 THR A 10 2.490 97.647 86.854 1.00 54.03 C ATOM 0 H THR A 10 1.939 98.818 91.083 1.00 15.50 H new ATOM 0 HA THR A 10 1.138 98.224 89.101 1.00 61.44 H new ATOM 0 HB THR A 10 3.878 97.185 88.406 1.00 23.24 H new ATOM 0 HG1 THR A 10 4.184 99.407 87.625 1.00 74.43 H new ATOM 0 HG21 THR A 10 3.261 97.841 86.108 1.00 54.03 H new ATOM 0 HG22 THR A 10 2.156 96.613 86.770 1.00 54.03 H new ATOM 0 HG23 THR A 10 1.646 98.316 86.685 1.00 54.03 H new ATOM 164 N TRP A 11 0.446 95.939 90.096 1.00 15.31 N ATOM 165 CA TRP A 11 -0.083 94.610 90.327 1.00 41.40 C ATOM 166 C TRP A 11 -1.245 94.343 89.381 1.00 65.43 C ATOM 167 O TRP A 11 -2.247 95.067 89.382 1.00 61.14 O ATOM 168 CB TRP A 11 -0.512 94.479 91.796 1.00 4.23 C ATOM 169 CG TRP A 11 -0.963 93.100 92.194 1.00 40.44 C ATOM 170 CD1 TRP A 11 -2.216 92.731 92.596 1.00 64.35 C ATOM 171 CD2 TRP A 11 -0.170 91.909 92.216 1.00 72.51 C ATOM 172 NE1 TRP A 11 -2.244 91.385 92.873 1.00 73.24 N ATOM 173 CE2 TRP A 11 -1.005 90.859 92.646 1.00 10.43 C ATOM 174 CE3 TRP A 11 1.165 91.625 91.915 1.00 53.55 C ATOM 175 CZ2 TRP A 11 -0.543 89.552 92.782 1.00 53.05 C ATOM 176 CZ3 TRP A 11 1.616 90.331 92.050 1.00 21.43 C ATOM 177 CH2 TRP A 11 0.766 89.307 92.477 1.00 63.50 C ATOM 0 H TRP A 11 -0.129 96.687 90.483 1.00 15.31 H new ATOM 0 HA TRP A 11 0.687 93.864 90.128 1.00 41.40 H new ATOM 0 HB2 TRP A 11 0.323 94.772 92.433 1.00 4.23 H new ATOM 0 HB3 TRP A 11 -1.322 95.182 91.989 1.00 4.23 H new ATOM 0 HD1 TRP A 11 -3.060 93.399 92.683 1.00 64.35 H new ATOM 0 HE1 TRP A 11 -3.059 90.863 93.196 1.00 73.24 H new ATOM 0 HE3 TRP A 11 1.831 92.407 91.582 1.00 53.55 H new ATOM 0 HZ2 TRP A 11 -1.197 88.760 93.117 1.00 53.05 H new ATOM 0 HZ3 TRP A 11 2.647 90.103 91.821 1.00 21.43 H new ATOM 0 HH2 TRP A 11 1.152 88.302 92.568 1.00 63.50 H new ATOM 188 N ASN A 12 -1.083 93.315 88.556 1.00 3.22 N ATOM 189 CA ASN A 12 -2.113 92.912 87.607 1.00 5.25 C ATOM 190 C ASN A 12 -3.098 91.957 88.287 1.00 14.04 C ATOM 191 O ASN A 12 -2.721 91.204 89.192 1.00 33.15 O ATOM 192 CB ASN A 12 -1.461 92.254 86.382 1.00 74.11 C ATOM 193 CG ASN A 12 -2.394 92.063 85.197 1.00 2.54 C ATOM 194 OD1 ASN A 12 -2.291 91.071 84.481 1.00 40.24 O ATOM 195 ND2 ASN A 12 -3.275 93.023 84.949 1.00 13.42 N ATOM 0 H ASN A 12 -0.240 92.741 88.526 1.00 3.22 H new ATOM 0 HA ASN A 12 -2.665 93.789 87.270 1.00 5.25 H new ATOM 0 HB2 ASN A 12 -0.614 92.863 86.067 1.00 74.11 H new ATOM 0 HB3 ASN A 12 -1.064 91.282 86.676 1.00 74.11 H new ATOM 0 HD21 ASN A 12 -3.894 92.951 84.142 1.00 13.42 H new ATOM 0 HD22 ASN A 12 -3.333 93.834 85.565 1.00 13.42 H new ATOM 202 N ASP A 13 -4.352 91.995 87.845 1.00 65.14 N ATOM 203 CA ASP A 13 -5.433 91.287 88.519 1.00 52.33 C ATOM 204 C ASP A 13 -5.576 89.815 88.061 1.00 34.12 C ATOM 205 O ASP A 13 -4.775 88.971 88.477 1.00 30.33 O ATOM 206 CB ASP A 13 -6.757 92.091 88.419 1.00 51.03 C ATOM 207 CG ASP A 13 -7.137 92.544 87.009 1.00 44.13 C ATOM 208 OD1 ASP A 13 -6.498 93.474 86.479 1.00 4.44 O ATOM 209 OD2 ASP A 13 -8.080 91.961 86.434 1.00 42.02 O ATOM 0 H ASP A 13 -4.645 92.513 87.017 1.00 65.14 H new ATOM 0 HA ASP A 13 -5.172 91.219 89.575 1.00 52.33 H new ATOM 0 HB2 ASP A 13 -7.566 91.479 88.817 1.00 51.03 H new ATOM 0 HB3 ASP A 13 -6.679 92.971 89.058 1.00 51.03 H new ATOM 214 N SER A 14 -6.560 89.498 87.213 1.00 61.40 N ATOM 215 CA SER A 14 -6.881 88.111 86.874 1.00 31.33 C ATOM 216 C SER A 14 -7.352 87.968 85.426 1.00 31.31 C ATOM 217 O SER A 14 -7.622 88.958 84.741 1.00 74.53 O ATOM 218 CB SER A 14 -7.964 87.568 87.818 1.00 31.42 C ATOM 219 OG SER A 14 -7.499 87.475 89.158 1.00 2.43 O ATOM 0 H SER A 14 -7.149 90.188 86.748 1.00 61.40 H new ATOM 0 HA SER A 14 -5.964 87.533 86.990 1.00 31.33 H new ATOM 0 HB2 SER A 14 -8.838 88.219 87.781 1.00 31.42 H new ATOM 0 HB3 SER A 14 -8.284 86.584 87.476 1.00 31.42 H new ATOM 0 HG SER A 14 -8.215 87.128 89.729 1.00 2.43 H new ATOM 225 N ARG A 15 -7.446 86.718 84.977 1.00 65.32 N ATOM 226 CA ARG A 15 -7.951 86.393 83.654 1.00 41.11 C ATOM 227 C ARG A 15 -9.233 85.569 83.795 1.00 51.41 C ATOM 228 O ARG A 15 -9.291 84.650 84.619 1.00 11.33 O ATOM 229 CB ARG A 15 -6.866 85.639 82.854 1.00 25.30 C ATOM 230 CG ARG A 15 -7.219 85.309 81.400 1.00 72.30 C ATOM 231 CD ARG A 15 -7.688 86.529 80.609 1.00 32.23 C ATOM 232 NE ARG A 15 -6.724 87.642 80.626 1.00 31.14 N ATOM 233 CZ ARG A 15 -7.021 88.897 80.247 1.00 32.15 C ATOM 234 NH1 ARG A 15 -8.220 89.186 79.754 1.00 5.14 N ATOM 235 NH2 ARG A 15 -6.110 89.856 80.346 1.00 22.53 N ATOM 0 H ARG A 15 -7.172 85.903 85.526 1.00 65.32 H new ATOM 0 HA ARG A 15 -8.192 87.303 83.105 1.00 41.11 H new ATOM 0 HB2 ARG A 15 -5.955 86.237 82.860 1.00 25.30 H new ATOM 0 HB3 ARG A 15 -6.639 84.708 83.373 1.00 25.30 H new ATOM 0 HG2 ARG A 15 -6.347 84.878 80.909 1.00 72.30 H new ATOM 0 HG3 ARG A 15 -8.001 84.550 81.385 1.00 72.30 H new ATOM 0 HD2 ARG A 15 -7.873 86.234 79.576 1.00 32.23 H new ATOM 0 HD3 ARG A 15 -8.638 86.874 81.017 1.00 32.23 H new ATOM 0 HE ARG A 15 -5.774 87.449 80.944 1.00 31.14 H new ATOM 0 HH11 ARG A 15 -8.923 88.453 79.661 1.00 5.14 H new ATOM 0 HH12 ARG A 15 -8.438 90.141 79.469 1.00 5.14 H new ATOM 0 HH21 ARG A 15 -5.182 89.642 80.710 1.00 22.53 H new ATOM 0 HH22 ARG A 15 -6.338 90.808 80.058 1.00 22.53 H new ATOM 249 N GLY A 16 -10.251 85.939 83.008 1.00 65.24 N ATOM 250 CA GLY A 16 -11.562 85.304 83.076 1.00 61.34 C ATOM 251 C GLY A 16 -11.554 83.854 82.649 1.00 3.45 C ATOM 252 O GLY A 16 -11.101 83.519 81.550 1.00 45.20 O ATOM 0 H GLY A 16 -10.185 86.682 82.313 1.00 65.24 H new ATOM 0 HA2 GLY A 16 -11.937 85.371 84.097 1.00 61.34 H new ATOM 0 HA3 GLY A 16 -12.257 85.856 82.444 1.00 61.34 H new ATOM 256 N ASN A 17 -12.067 83.001 83.528 1.00 42.41 N ATOM 257 CA ASN A 17 -12.121 81.567 83.278 1.00 44.14 C ATOM 258 C ASN A 17 -13.540 81.142 82.932 1.00 32.21 C ATOM 259 O ASN A 17 -14.383 80.956 83.814 1.00 53.45 O ATOM 260 CB ASN A 17 -11.615 80.765 84.490 1.00 43.03 C ATOM 261 CG ASN A 17 -10.159 81.039 84.833 1.00 4.14 C ATOM 262 OD1 ASN A 17 -9.349 81.354 83.967 1.00 44.35 O ATOM 263 ND2 ASN A 17 -9.821 80.902 86.102 1.00 24.04 N ATOM 0 H ASN A 17 -12.455 83.282 84.428 1.00 42.41 H new ATOM 0 HA ASN A 17 -11.466 81.355 82.433 1.00 44.14 H new ATOM 0 HB2 ASN A 17 -12.234 81.000 85.356 1.00 43.03 H new ATOM 0 HB3 ASN A 17 -11.739 79.701 84.289 1.00 43.03 H new ATOM 0 HD21 ASN A 17 -8.856 81.060 86.393 1.00 24.04 H new ATOM 0 HD22 ASN A 17 -10.525 80.639 86.792 1.00 24.04 H new ATOM 270 N TYR A 18 -13.807 81.036 81.640 1.00 71.43 N ATOM 271 CA TYR A 18 -15.123 80.662 81.149 1.00 35.32 C ATOM 272 C TYR A 18 -15.016 79.547 80.117 1.00 74.55 C ATOM 273 O TYR A 18 -14.197 79.605 79.194 1.00 55.30 O ATOM 274 CB TYR A 18 -15.893 81.880 80.590 1.00 15.00 C ATOM 275 CG TYR A 18 -15.068 82.880 79.801 1.00 52.41 C ATOM 276 CD1 TYR A 18 -14.800 82.690 78.453 1.00 55.30 C ATOM 277 CD2 TYR A 18 -14.578 84.027 80.409 1.00 73.44 C ATOM 278 CE1 TYR A 18 -14.061 83.611 77.736 1.00 4.21 C ATOM 279 CE2 TYR A 18 -13.838 84.954 79.701 1.00 40.54 C ATOM 280 CZ TYR A 18 -13.582 84.743 78.364 1.00 42.32 C ATOM 281 OH TYR A 18 -12.841 85.661 77.657 1.00 44.10 O ATOM 0 H TYR A 18 -13.120 81.206 80.905 1.00 71.43 H new ATOM 0 HA TYR A 18 -15.698 80.284 81.994 1.00 35.32 H new ATOM 0 HB2 TYR A 18 -16.696 81.515 79.950 1.00 15.00 H new ATOM 0 HB3 TYR A 18 -16.362 82.403 81.424 1.00 15.00 H new ATOM 0 HD1 TYR A 18 -15.175 81.808 77.956 1.00 55.30 H new ATOM 0 HD2 TYR A 18 -14.779 84.198 81.456 1.00 73.44 H new ATOM 0 HE1 TYR A 18 -13.859 83.446 76.688 1.00 4.21 H new ATOM 0 HE2 TYR A 18 -13.462 85.839 80.193 1.00 40.54 H new ATOM 0 HH TYR A 18 -12.583 86.399 78.249 1.00 44.10 H new ATOM 291 N TRP A 19 -15.815 78.509 80.316 1.00 1.33 N ATOM 292 CA TRP A 19 -15.779 77.325 79.466 1.00 5.15 C ATOM 293 C TRP A 19 -17.155 77.073 78.860 1.00 3.23 C ATOM 294 O TRP A 19 -18.144 77.715 79.240 1.00 42.31 O ATOM 295 CB TRP A 19 -15.310 76.089 80.263 1.00 63.13 C ATOM 296 CG TRP A 19 -13.850 76.099 80.657 1.00 53.13 C ATOM 297 CD1 TRP A 19 -13.217 76.993 81.481 1.00 2.22 C ATOM 298 CD2 TRP A 19 -12.849 75.151 80.262 1.00 13.15 C ATOM 299 NE1 TRP A 19 -11.891 76.668 81.602 1.00 24.32 N ATOM 300 CE2 TRP A 19 -11.639 75.539 80.872 1.00 32.52 C ATOM 301 CE3 TRP A 19 -12.855 74.011 79.450 1.00 62.02 C ATOM 302 CZ2 TRP A 19 -10.452 74.834 80.694 1.00 51.24 C ATOM 303 CZ3 TRP A 19 -11.677 73.311 79.279 1.00 60.13 C ATOM 304 CH2 TRP A 19 -10.489 73.723 79.898 1.00 62.22 C ATOM 0 H TRP A 19 -16.504 78.462 81.067 1.00 1.33 H new ATOM 0 HA TRP A 19 -15.065 77.501 78.662 1.00 5.15 H new ATOM 0 HB2 TRP A 19 -15.914 76.007 81.167 1.00 63.13 H new ATOM 0 HB3 TRP A 19 -15.504 75.197 79.668 1.00 63.13 H new ATOM 0 HD1 TRP A 19 -13.694 77.832 81.965 1.00 2.22 H new ATOM 0 HE1 TRP A 19 -11.202 77.185 82.149 1.00 24.32 H new ATOM 0 HE3 TRP A 19 -13.764 73.685 78.966 1.00 62.02 H new ATOM 0 HZ2 TRP A 19 -9.535 75.153 81.167 1.00 51.24 H new ATOM 0 HZ3 TRP A 19 -11.671 72.429 78.656 1.00 60.13 H new ATOM 0 HH2 TRP A 19 -9.585 73.152 79.743 1.00 62.22 H new ATOM 315 N SER A 20 -17.218 76.149 77.914 1.00 63.13 N ATOM 316 CA SER A 20 -18.469 75.810 77.255 1.00 41.22 C ATOM 317 C SER A 20 -18.745 74.315 77.358 1.00 21.40 C ATOM 318 O SER A 20 -17.814 73.502 77.360 1.00 54.32 O ATOM 319 CB SER A 20 -18.422 76.236 75.785 1.00 31.24 C ATOM 320 OG SER A 20 -18.217 77.635 75.661 1.00 73.33 O ATOM 0 H SER A 20 -16.412 75.618 77.584 1.00 63.13 H new ATOM 0 HA SER A 20 -19.277 76.345 77.755 1.00 41.22 H new ATOM 0 HB2 SER A 20 -17.620 75.702 75.275 1.00 31.24 H new ATOM 0 HB3 SER A 20 -19.354 75.958 75.293 1.00 31.24 H new ATOM 0 HG SER A 20 -18.189 77.879 74.712 1.00 73.33 H new ATOM 326 N ASP A 21 -20.024 73.955 77.451 1.00 13.25 N ATOM 327 CA ASP A 21 -20.424 72.552 77.463 1.00 25.33 C ATOM 328 C ASP A 21 -20.645 72.056 76.037 1.00 20.42 C ATOM 329 O ASP A 21 -20.683 72.849 75.093 1.00 53.02 O ATOM 330 CB ASP A 21 -21.665 72.320 78.350 1.00 31.03 C ATOM 331 CG ASP A 21 -22.954 72.956 77.847 1.00 73.22 C ATOM 332 OD1 ASP A 21 -23.138 74.176 78.033 1.00 12.41 O ATOM 333 OD2 ASP A 21 -23.800 72.217 77.304 1.00 61.51 O ATOM 0 H ASP A 21 -20.799 74.615 77.519 1.00 13.25 H new ATOM 0 HA ASP A 21 -19.615 71.969 77.904 1.00 25.33 H new ATOM 0 HB2 ASP A 21 -21.824 71.246 78.450 1.00 31.03 H new ATOM 0 HB3 ASP A 21 -21.455 72.705 79.348 1.00 31.03 H new ATOM 338 N TYR A 22 -20.758 70.748 75.885 1.00 44.35 N ATOM 339 CA TYR A 22 -20.772 70.134 74.567 1.00 45.05 C ATOM 340 C TYR A 22 -22.127 69.534 74.246 1.00 50.22 C ATOM 341 O TYR A 22 -22.697 68.789 75.053 1.00 71.33 O ATOM 342 CB TYR A 22 -19.675 69.060 74.467 1.00 54.24 C ATOM 343 CG TYR A 22 -18.264 69.609 74.555 1.00 11.41 C ATOM 344 CD1 TYR A 22 -17.589 70.014 73.414 1.00 54.00 C ATOM 345 CD2 TYR A 22 -17.612 69.733 75.779 1.00 53.41 C ATOM 346 CE1 TYR A 22 -16.308 70.524 73.483 1.00 43.24 C ATOM 347 CE2 TYR A 22 -16.329 70.242 75.856 1.00 35.11 C ATOM 348 CZ TYR A 22 -15.683 70.640 74.703 1.00 31.32 C ATOM 349 OH TYR A 22 -14.407 71.154 74.772 1.00 22.33 O ATOM 0 H TYR A 22 -20.842 70.089 76.659 1.00 44.35 H new ATOM 0 HA TYR A 22 -20.573 70.916 73.834 1.00 45.05 H new ATOM 0 HB2 TYR A 22 -19.821 68.331 75.264 1.00 54.24 H new ATOM 0 HB3 TYR A 22 -19.788 68.527 73.523 1.00 54.24 H new ATOM 0 HD1 TYR A 22 -18.074 69.929 72.453 1.00 54.00 H new ATOM 0 HD2 TYR A 22 -18.117 69.426 76.683 1.00 53.41 H new ATOM 0 HE1 TYR A 22 -15.798 70.831 72.582 1.00 43.24 H new ATOM 0 HE2 TYR A 22 -15.835 70.328 76.813 1.00 35.11 H new ATOM 0 HH TYR A 22 -14.111 71.170 75.706 1.00 22.33 H new ATOM 848 N PRO A 59 -20.535 -1.759 14.942 1.00 55.23 N ATOM 849 CA PRO A 59 -19.503 -2.577 14.302 1.00 44.41 C ATOM 850 C PRO A 59 -18.225 -1.780 14.055 1.00 20.42 C ATOM 851 O PRO A 59 -18.266 -0.562 13.846 1.00 54.31 O ATOM 852 CB PRO A 59 -20.133 -3.025 12.981 1.00 20.53 C ATOM 853 CG PRO A 59 -21.278 -2.096 12.739 1.00 22.41 C ATOM 854 CD PRO A 59 -21.720 -1.585 14.080 1.00 22.34 C ATOM 0 HA PRO A 59 -19.205 -3.418 14.929 1.00 44.41 H new ATOM 0 HB2 PRO A 59 -19.410 -2.975 12.167 1.00 20.53 H new ATOM 0 HB3 PRO A 59 -20.474 -4.058 13.041 1.00 20.53 H new ATOM 0 HG2 PRO A 59 -20.976 -1.272 12.093 1.00 22.41 H new ATOM 0 HG3 PRO A 59 -22.094 -2.613 12.235 1.00 22.41 H new ATOM 0 HD2 PRO A 59 -22.024 -0.540 14.027 1.00 22.34 H new ATOM 0 HD3 PRO A 59 -22.574 -2.147 14.459 1.00 22.34 H new ATOM 862 N VAL A 60 -17.102 -2.461 14.118 1.00 54.02 N ATOM 863 CA VAL A 60 -15.816 -1.811 13.987 1.00 53.30 C ATOM 864 C VAL A 60 -15.410 -1.747 12.506 1.00 51.34 C ATOM 865 O VAL A 60 -15.607 -2.705 11.749 1.00 22.24 O ATOM 866 CB VAL A 60 -14.753 -2.522 14.881 1.00 52.02 C ATOM 867 CG1 VAL A 60 -14.506 -3.962 14.457 1.00 73.13 C ATOM 868 CG2 VAL A 60 -13.449 -1.742 14.950 1.00 24.32 C ATOM 0 H VAL A 60 -17.053 -3.470 14.260 1.00 54.02 H new ATOM 0 HA VAL A 60 -15.883 -0.783 14.344 1.00 53.30 H new ATOM 0 HB VAL A 60 -15.175 -2.549 15.886 1.00 52.02 H new ATOM 0 HG11 VAL A 60 -13.758 -4.411 15.111 1.00 73.13 H new ATOM 0 HG12 VAL A 60 -15.436 -4.527 14.527 1.00 73.13 H new ATOM 0 HG13 VAL A 60 -14.147 -3.982 13.428 1.00 73.13 H new ATOM 0 HG21 VAL A 60 -12.739 -2.275 15.583 1.00 24.32 H new ATOM 0 HG22 VAL A 60 -13.034 -1.638 13.948 1.00 24.32 H new ATOM 0 HG23 VAL A 60 -13.638 -0.754 15.369 1.00 24.32 H new ATOM 878 N LEU A 61 -14.928 -0.580 12.084 1.00 5.31 N ATOM 879 CA LEU A 61 -14.511 -0.377 10.698 1.00 15.15 C ATOM 880 C LEU A 61 -13.064 -0.832 10.492 1.00 24.34 C ATOM 881 O LEU A 61 -12.280 -0.847 11.447 1.00 41.30 O ATOM 882 CB LEU A 61 -14.732 1.090 10.175 1.00 65.02 C ATOM 883 CG LEU A 61 -14.521 2.333 11.090 1.00 73.54 C ATOM 884 CD1 LEU A 61 -15.691 2.559 12.035 1.00 3.02 C ATOM 885 CD2 LEU A 61 -13.218 2.275 11.864 1.00 54.01 C ATOM 0 H LEU A 61 -14.816 0.239 12.681 1.00 5.31 H new ATOM 0 HA LEU A 61 -15.166 -1.003 10.091 1.00 15.15 H new ATOM 0 HB2 LEU A 61 -14.076 1.219 9.314 1.00 65.02 H new ATOM 0 HB3 LEU A 61 -15.756 1.141 9.806 1.00 65.02 H new ATOM 0 HG LEU A 61 -14.464 3.186 10.414 1.00 73.54 H new ATOM 0 HD11 LEU A 61 -15.496 3.437 12.652 1.00 3.02 H new ATOM 0 HD12 LEU A 61 -16.601 2.717 11.456 1.00 3.02 H new ATOM 0 HD13 LEU A 61 -15.815 1.686 12.676 1.00 3.02 H new ATOM 0 HD21 LEU A 61 -13.123 3.166 12.485 1.00 54.01 H new ATOM 0 HD22 LEU A 61 -13.211 1.389 12.498 1.00 54.01 H new ATOM 0 HD23 LEU A 61 -12.382 2.229 11.166 1.00 54.01 H new ATOM 897 N PRO A 62 -12.700 -1.269 9.260 1.00 21.30 N ATOM 898 CA PRO A 62 -11.341 -1.712 8.958 1.00 71.15 C ATOM 899 C PRO A 62 -10.353 -0.562 8.914 1.00 31.22 C ATOM 900 O PRO A 62 -10.716 0.590 8.670 1.00 13.04 O ATOM 901 CB PRO A 62 -11.460 -2.338 7.574 1.00 62.20 C ATOM 902 CG PRO A 62 -12.592 -1.625 6.949 1.00 23.42 C ATOM 903 CD PRO A 62 -13.568 -1.384 8.066 1.00 74.22 C ATOM 0 HA PRO A 62 -10.967 -2.393 9.723 1.00 71.15 H new ATOM 0 HB2 PRO A 62 -10.543 -2.210 6.999 1.00 62.20 H new ATOM 0 HB3 PRO A 62 -11.650 -3.409 7.637 1.00 62.20 H new ATOM 0 HG2 PRO A 62 -12.267 -0.686 6.500 1.00 23.42 H new ATOM 0 HG3 PRO A 62 -13.042 -2.220 6.154 1.00 23.42 H new ATOM 0 HD2 PRO A 62 -14.150 -0.477 7.903 1.00 74.22 H new ATOM 0 HD3 PRO A 62 -14.279 -2.205 8.163 1.00 74.22 H new ATOM 911 N THR A 63 -9.116 -0.884 9.173 1.00 10.32 N ATOM 912 CA THR A 63 -8.065 0.077 9.088 1.00 75.25 C ATOM 913 C THR A 63 -7.057 -0.388 8.044 1.00 65.45 C ATOM 914 O THR A 63 -6.641 -1.549 8.032 1.00 61.14 O ATOM 915 CB THR A 63 -7.429 0.338 10.497 1.00 42.11 C ATOM 916 OG1 THR A 63 -6.709 1.573 10.488 1.00 74.31 O ATOM 917 CG2 THR A 63 -6.488 -0.767 10.959 1.00 5.51 C ATOM 0 H THR A 63 -8.814 -1.819 9.448 1.00 10.32 H new ATOM 0 HA THR A 63 -8.457 1.041 8.764 1.00 75.25 H new ATOM 0 HB THR A 63 -8.263 0.371 11.198 1.00 42.11 H new ATOM 0 HG1 THR A 63 -6.316 1.729 11.372 1.00 74.31 H new ATOM 0 HG21 THR A 63 -6.087 -0.516 11.941 1.00 5.51 H new ATOM 0 HG22 THR A 63 -7.034 -1.708 11.020 1.00 5.51 H new ATOM 0 HG23 THR A 63 -5.668 -0.868 10.247 1.00 5.51 H new ATOM 925 N ALA A 64 -6.760 0.482 7.103 1.00 34.40 N ATOM 926 CA ALA A 64 -5.704 0.218 6.162 1.00 63.42 C ATOM 927 C ALA A 64 -4.442 0.869 6.664 1.00 10.03 C ATOM 928 O ALA A 64 -4.359 2.094 6.779 1.00 43.05 O ATOM 929 CB ALA A 64 -6.058 0.707 4.774 1.00 40.21 C ATOM 0 H ALA A 64 -7.236 1.375 6.973 1.00 34.40 H new ATOM 0 HA ALA A 64 -5.555 -0.859 6.081 1.00 63.42 H new ATOM 0 HB1 ALA A 64 -5.236 0.490 4.091 1.00 40.21 H new ATOM 0 HB2 ALA A 64 -6.960 0.201 4.429 1.00 40.21 H new ATOM 0 HB3 ALA A 64 -6.233 1.783 4.801 1.00 40.21 H new ATOM 935 N ARG A 65 -3.493 0.037 7.035 1.00 3.23 N ATOM 936 CA ARG A 65 -2.210 0.489 7.534 1.00 24.33 C ATOM 937 C ARG A 65 -1.141 -0.338 6.865 1.00 42.21 C ATOM 938 O ARG A 65 -1.353 -1.524 6.649 1.00 1.52 O ATOM 939 CB ARG A 65 -2.101 0.314 9.061 1.00 54.11 C ATOM 940 CG ARG A 65 -3.157 1.051 9.874 1.00 3.22 C ATOM 941 CD ARG A 65 -2.910 0.934 11.368 1.00 53.32 C ATOM 942 NE ARG A 65 -3.003 -0.448 11.847 1.00 3.42 N ATOM 943 CZ ARG A 65 -2.712 -0.847 13.090 1.00 4.04 C ATOM 944 NH1 ARG A 65 -2.230 0.011 13.993 1.00 62.12 N ATOM 945 NH2 ARG A 65 -2.890 -2.117 13.419 1.00 70.23 N ATOM 0 H ARG A 65 -3.589 -0.978 6.999 1.00 3.23 H new ATOM 0 HA ARG A 65 -2.095 1.550 7.313 1.00 24.33 H new ATOM 0 HB2 ARG A 65 -2.162 -0.749 9.294 1.00 54.11 H new ATOM 0 HB3 ARG A 65 -1.116 0.654 9.380 1.00 54.11 H new ATOM 0 HG2 ARG A 65 -3.165 2.103 9.589 1.00 3.22 H new ATOM 0 HG3 ARG A 65 -4.142 0.650 9.637 1.00 3.22 H new ATOM 0 HD2 ARG A 65 -1.922 1.330 11.601 1.00 53.32 H new ATOM 0 HD3 ARG A 65 -3.634 1.549 11.902 1.00 53.32 H new ATOM 0 HE ARG A 65 -3.313 -1.158 11.183 1.00 3.42 H new ATOM 0 HH11 ARG A 65 -2.079 0.987 13.739 1.00 62.12 H new ATOM 0 HH12 ARG A 65 -2.013 -0.310 14.937 1.00 62.12 H new ATOM 0 HH21 ARG A 65 -3.245 -2.778 12.728 1.00 70.23 H new ATOM 0 HH22 ARG A 65 -2.672 -2.435 14.363 1.00 70.23 H new ATOM 959 N PHE A 66 -0.029 0.277 6.499 1.00 22.24 N ATOM 960 CA PHE A 66 1.118 -0.463 5.989 1.00 12.15 C ATOM 961 C PHE A 66 2.391 0.345 6.169 1.00 15.24 C ATOM 962 O PHE A 66 2.362 1.580 6.205 1.00 3.24 O ATOM 963 CB PHE A 66 0.943 -0.907 4.508 1.00 4.14 C ATOM 964 CG PHE A 66 0.900 0.187 3.468 1.00 42.03 C ATOM 965 CD1 PHE A 66 -0.249 0.928 3.256 1.00 41.22 C ATOM 966 CD2 PHE A 66 2.014 0.455 2.686 1.00 42.32 C ATOM 967 CE1 PHE A 66 -0.287 1.913 2.292 1.00 21.01 C ATOM 968 CE2 PHE A 66 1.977 1.437 1.720 1.00 53.24 C ATOM 969 CZ PHE A 66 0.825 2.167 1.525 1.00 53.23 C ATOM 0 H PHE A 66 0.106 1.287 6.545 1.00 22.24 H new ATOM 0 HA PHE A 66 1.192 -1.379 6.575 1.00 12.15 H new ATOM 0 HB2 PHE A 66 1.761 -1.582 4.257 1.00 4.14 H new ATOM 0 HB3 PHE A 66 0.021 -1.483 4.433 1.00 4.14 H new ATOM 0 HD1 PHE A 66 -1.127 0.732 3.853 1.00 41.22 H new ATOM 0 HD2 PHE A 66 2.921 -0.112 2.836 1.00 42.32 H new ATOM 0 HE1 PHE A 66 -1.190 2.485 2.140 1.00 21.01 H new ATOM 0 HE2 PHE A 66 2.850 1.634 1.116 1.00 53.24 H new ATOM 0 HZ PHE A 66 0.796 2.939 0.770 1.00 53.23 H new ATOM 979 N THR A 67 3.500 -0.358 6.304 1.00 23.13 N ATOM 980 CA THR A 67 4.796 0.271 6.369 1.00 70.40 C ATOM 981 C THR A 67 5.589 -0.106 5.119 1.00 11.41 C ATOM 982 O THR A 67 5.312 -1.125 4.486 1.00 45.42 O ATOM 983 CB THR A 67 5.558 -0.115 7.676 1.00 34.35 C ATOM 984 OG1 THR A 67 6.629 0.804 7.915 1.00 1.21 O ATOM 985 CG2 THR A 67 6.123 -1.541 7.646 1.00 50.05 C ATOM 0 H THR A 67 3.523 -1.376 6.371 1.00 23.13 H new ATOM 0 HA THR A 67 4.670 1.353 6.400 1.00 70.40 H new ATOM 0 HB THR A 67 4.824 -0.068 8.481 1.00 34.35 H new ATOM 0 HG1 THR A 67 7.098 0.553 8.738 1.00 1.21 H new ATOM 0 HG21 THR A 67 6.641 -1.747 8.583 1.00 50.05 H new ATOM 0 HG22 THR A 67 5.308 -2.253 7.518 1.00 50.05 H new ATOM 0 HG23 THR A 67 6.823 -1.638 6.816 1.00 50.05 H new ATOM 993 N SER A 68 6.528 0.742 4.755 1.00 12.32 N ATOM 994 CA SER A 68 7.401 0.492 3.623 1.00 54.44 C ATOM 995 C SER A 68 8.840 0.404 4.127 1.00 50.23 C ATOM 996 O SER A 68 9.136 0.888 5.225 1.00 33.54 O ATOM 997 CB SER A 68 7.236 1.617 2.585 1.00 62.51 C ATOM 998 OG SER A 68 7.947 1.343 1.388 1.00 24.42 O ATOM 0 H SER A 68 6.709 1.624 5.234 1.00 12.32 H new ATOM 0 HA SER A 68 7.141 -0.449 3.138 1.00 54.44 H new ATOM 0 HB2 SER A 68 6.178 1.748 2.357 1.00 62.51 H new ATOM 0 HB3 SER A 68 7.589 2.557 3.010 1.00 62.51 H new ATOM 0 HG SER A 68 8.643 2.021 1.258 1.00 24.42 H new ATOM 1004 N ASP A 69 9.718 -0.232 3.346 1.00 2.50 N ATOM 1005 CA ASP A 69 11.133 -0.342 3.705 1.00 45.02 C ATOM 1006 C ASP A 69 11.775 1.039 3.647 1.00 1.11 C ATOM 1007 O ASP A 69 12.314 1.533 4.641 1.00 23.52 O ATOM 1008 CB ASP A 69 11.860 -1.312 2.759 1.00 44.05 C ATOM 1009 CG ASP A 69 13.305 -1.556 3.163 1.00 42.13 C ATOM 1010 OD1 ASP A 69 13.532 -2.256 4.171 1.00 20.20 O ATOM 1011 OD2 ASP A 69 14.215 -1.044 2.482 1.00 4.14 O ATOM 0 H ASP A 69 9.473 -0.678 2.462 1.00 2.50 H new ATOM 0 HA ASP A 69 11.215 -0.737 4.718 1.00 45.02 H new ATOM 0 HB2 ASP A 69 11.327 -2.263 2.741 1.00 44.05 H new ATOM 0 HB3 ASP A 69 11.833 -0.912 1.745 1.00 44.05 H new ATOM 1016 N ILE A 70 11.677 1.664 2.479 1.00 42.21 N ATOM 1017 CA ILE A 70 12.051 3.053 2.315 1.00 41.40 C ATOM 1018 C ILE A 70 10.850 3.868 1.854 1.00 20.13 C ATOM 1019 O ILE A 70 10.059 3.418 1.021 1.00 3.33 O ATOM 1020 CB ILE A 70 13.269 3.241 1.345 1.00 53.24 C ATOM 1021 CG1 ILE A 70 13.128 2.438 0.031 1.00 75.33 C ATOM 1022 CG2 ILE A 70 14.569 2.862 2.038 1.00 1.25 C ATOM 1023 CD1 ILE A 70 12.592 3.237 -1.145 1.00 33.01 C ATOM 0 H ILE A 70 11.337 1.220 1.626 1.00 42.21 H new ATOM 0 HA ILE A 70 12.377 3.420 3.288 1.00 41.40 H new ATOM 0 HB ILE A 70 13.285 4.298 1.078 1.00 53.24 H new ATOM 0 HG12 ILE A 70 14.103 2.032 -0.237 1.00 75.33 H new ATOM 0 HG13 ILE A 70 12.467 1.590 0.208 1.00 75.33 H new ATOM 0 HG21 ILE A 70 15.402 2.999 1.349 1.00 1.25 H new ATOM 0 HG22 ILE A 70 14.713 3.496 2.913 1.00 1.25 H new ATOM 0 HG23 ILE A 70 14.524 1.819 2.350 1.00 1.25 H new ATOM 0 HD11 ILE A 70 12.527 2.594 -2.022 1.00 33.01 H new ATOM 0 HD12 ILE A 70 11.601 3.621 -0.902 1.00 33.01 H new ATOM 0 HD13 ILE A 70 13.263 4.070 -1.355 1.00 33.01 H new ATOM 1035 N THR A 71 10.684 5.036 2.451 1.00 21.52 N ATOM 1036 CA THR A 71 9.735 6.023 1.954 1.00 33.12 C ATOM 1037 C THR A 71 10.433 6.950 0.968 1.00 70.25 C ATOM 1038 O THR A 71 9.798 7.568 0.115 1.00 62.11 O ATOM 1039 CB THR A 71 9.110 6.854 3.094 1.00 53.20 C ATOM 1040 OG1 THR A 71 10.104 7.192 4.072 1.00 43.14 O ATOM 1041 CG2 THR A 71 7.974 6.099 3.755 1.00 62.14 C ATOM 0 H THR A 71 11.196 5.327 3.284 1.00 21.52 H new ATOM 0 HA THR A 71 8.927 5.485 1.458 1.00 33.12 H new ATOM 0 HB THR A 71 8.711 7.771 2.660 1.00 53.20 H new ATOM 0 HG1 THR A 71 9.693 7.720 4.788 1.00 43.14 H new ATOM 0 HG21 THR A 71 7.550 6.706 4.555 1.00 62.14 H new ATOM 0 HG22 THR A 71 7.202 5.883 3.016 1.00 62.14 H new ATOM 0 HG23 THR A 71 8.351 5.164 4.170 1.00 62.14 H new ATOM 1049 N GLU A 72 11.755 6.998 1.092 1.00 73.23 N ATOM 1050 CA GLU A 72 12.599 7.795 0.238 1.00 1.22 C ATOM 1051 C GLU A 72 13.951 7.100 0.118 1.00 34.44 C ATOM 1052 O GLU A 72 14.476 6.575 1.104 1.00 72.45 O ATOM 1053 CB GLU A 72 12.768 9.203 0.811 1.00 32.05 C ATOM 1054 CG GLU A 72 13.410 10.184 -0.160 1.00 43.50 C ATOM 1055 CD GLU A 72 13.645 11.543 0.448 1.00 15.25 C ATOM 1056 OE1 GLU A 72 14.664 11.711 1.137 1.00 55.40 O ATOM 1057 OE2 GLU A 72 12.817 12.451 0.231 1.00 32.21 O ATOM 0 H GLU A 72 12.268 6.474 1.801 1.00 73.23 H new ATOM 0 HA GLU A 72 12.143 7.893 -0.747 1.00 1.22 H new ATOM 0 HB2 GLU A 72 11.791 9.585 1.107 1.00 32.05 H new ATOM 0 HB3 GLU A 72 13.376 9.148 1.714 1.00 32.05 H new ATOM 0 HG2 GLU A 72 14.360 9.777 -0.505 1.00 43.50 H new ATOM 0 HG3 GLU A 72 12.772 10.290 -1.037 1.00 43.50 H new ATOM 1064 N GLY A 73 14.481 7.072 -1.088 1.00 1.52 N ATOM 1065 CA GLY A 73 15.750 6.429 -1.341 1.00 23.21 C ATOM 1066 C GLY A 73 15.802 5.898 -2.746 1.00 55.40 C ATOM 1067 O GLY A 73 14.915 6.184 -3.538 1.00 22.12 O ATOM 0 H GLY A 73 14.048 7.490 -1.911 1.00 1.52 H new ATOM 0 HA2 GLY A 73 16.562 7.140 -1.185 1.00 23.21 H new ATOM 0 HA3 GLY A 73 15.899 5.614 -0.633 1.00 23.21 H new ATOM 1071 N PHE A 74 16.825 5.124 -3.063 1.00 24.33 N ATOM 1072 CA PHE A 74 16.964 4.564 -4.402 1.00 45.52 C ATOM 1073 C PHE A 74 16.055 3.338 -4.549 1.00 53.11 C ATOM 1074 O PHE A 74 15.927 2.547 -3.605 1.00 55.42 O ATOM 1075 CB PHE A 74 18.442 4.219 -4.721 1.00 63.42 C ATOM 1076 CG PHE A 74 19.128 3.276 -3.752 1.00 53.24 C ATOM 1077 CD1 PHE A 74 19.695 3.749 -2.577 1.00 12.42 C ATOM 1078 CD2 PHE A 74 19.217 1.917 -4.029 1.00 53.03 C ATOM 1079 CE1 PHE A 74 20.328 2.891 -1.701 1.00 61.55 C ATOM 1080 CE2 PHE A 74 19.849 1.055 -3.154 1.00 54.42 C ATOM 1081 CZ PHE A 74 20.404 1.543 -1.989 1.00 1.20 C ATOM 0 H PHE A 74 17.571 4.868 -2.416 1.00 24.33 H new ATOM 0 HA PHE A 74 16.652 5.315 -5.128 1.00 45.52 H new ATOM 0 HB2 PHE A 74 18.485 3.779 -5.717 1.00 63.42 H new ATOM 0 HB3 PHE A 74 19.011 5.148 -4.758 1.00 63.42 H new ATOM 0 HD1 PHE A 74 19.640 4.802 -2.345 1.00 12.42 H new ATOM 0 HD2 PHE A 74 18.786 1.530 -4.941 1.00 53.03 H new ATOM 0 HE1 PHE A 74 20.764 3.274 -0.790 1.00 61.55 H new ATOM 0 HE2 PHE A 74 19.909 0.001 -3.381 1.00 54.42 H new ATOM 0 HZ PHE A 74 20.898 0.871 -1.303 1.00 1.20 H new ATOM 1091 N ALA A 75 15.364 3.265 -5.697 1.00 61.32 N ATOM 1092 CA ALA A 75 14.447 2.162 -6.045 1.00 5.43 C ATOM 1093 C ALA A 75 15.060 0.765 -5.817 1.00 24.01 C ATOM 1094 O ALA A 75 16.018 0.382 -6.489 1.00 23.34 O ATOM 1095 CB ALA A 75 14.004 2.315 -7.496 1.00 33.34 C ATOM 0 H ALA A 75 15.426 3.980 -6.422 1.00 61.32 H new ATOM 0 HA ALA A 75 13.589 2.230 -5.376 1.00 5.43 H new ATOM 0 HB1 ALA A 75 13.326 1.502 -7.757 1.00 33.34 H new ATOM 0 HB2 ALA A 75 13.492 3.269 -7.621 1.00 33.34 H new ATOM 0 HB3 ALA A 75 14.877 2.283 -8.148 1.00 33.34 H new ATOM 1101 N PRO A 76 14.514 -0.012 -4.851 1.00 73.43 N ATOM 1102 CA PRO A 76 15.049 -1.322 -4.496 1.00 74.44 C ATOM 1103 C PRO A 76 14.468 -2.477 -5.324 1.00 4.34 C ATOM 1104 O PRO A 76 13.507 -2.305 -6.084 1.00 73.22 O ATOM 1105 CB PRO A 76 14.655 -1.466 -3.023 1.00 33.04 C ATOM 1106 CG PRO A 76 13.476 -0.564 -2.811 1.00 31.12 C ATOM 1107 CD PRO A 76 13.352 0.337 -4.020 1.00 52.41 C ATOM 0 HA PRO A 76 16.121 -1.377 -4.687 1.00 74.44 H new ATOM 0 HB2 PRO A 76 14.401 -2.500 -2.788 1.00 33.04 H new ATOM 0 HB3 PRO A 76 15.482 -1.185 -2.370 1.00 33.04 H new ATOM 0 HG2 PRO A 76 12.567 -1.150 -2.678 1.00 31.12 H new ATOM 0 HG3 PRO A 76 13.608 0.029 -1.906 1.00 31.12 H new ATOM 0 HD2 PRO A 76 12.416 0.164 -4.551 1.00 52.41 H new ATOM 0 HD3 PRO A 76 13.367 1.389 -3.736 1.00 52.41 H new ATOM 1115 N LEU A 77 15.042 -3.670 -5.135 1.00 65.12 N ATOM 1116 CA LEU A 77 14.616 -4.866 -5.866 1.00 22.25 C ATOM 1117 C LEU A 77 13.453 -5.551 -5.143 1.00 50.22 C ATOM 1118 O LEU A 77 12.749 -6.383 -5.712 1.00 45.54 O ATOM 1119 CB LEU A 77 15.794 -5.852 -6.067 1.00 73.42 C ATOM 1120 CG LEU A 77 16.141 -6.807 -4.902 1.00 30.04 C ATOM 1121 CD1 LEU A 77 17.062 -7.903 -5.393 1.00 63.31 C ATOM 1122 CD2 LEU A 77 16.794 -6.080 -3.734 1.00 11.51 C ATOM 0 H LEU A 77 15.806 -3.832 -4.479 1.00 65.12 H new ATOM 0 HA LEU A 77 14.274 -4.553 -6.852 1.00 22.25 H new ATOM 0 HB2 LEU A 77 15.576 -6.460 -6.945 1.00 73.42 H new ATOM 0 HB3 LEU A 77 16.685 -5.267 -6.298 1.00 73.42 H new ATOM 0 HG LEU A 77 15.205 -7.234 -4.544 1.00 30.04 H new ATOM 0 HD11 LEU A 77 17.303 -8.573 -4.567 1.00 63.31 H new ATOM 0 HD12 LEU A 77 16.568 -8.466 -6.185 1.00 63.31 H new ATOM 0 HD13 LEU A 77 17.980 -7.461 -5.781 1.00 63.31 H new ATOM 0 HD21 LEU A 77 17.019 -6.793 -2.941 1.00 11.51 H new ATOM 0 HD22 LEU A 77 17.717 -5.608 -4.070 1.00 11.51 H new ATOM 0 HD23 LEU A 77 16.114 -5.318 -3.354 1.00 11.51 H new ATOM 1134 N SER A 78 13.282 -5.199 -3.878 1.00 10.53 N ATOM 1135 CA SER A 78 12.190 -5.693 -3.078 1.00 71.32 C ATOM 1136 C SER A 78 11.797 -4.646 -2.046 1.00 2.42 C ATOM 1137 O SER A 78 12.544 -4.361 -1.105 1.00 72.32 O ATOM 1138 CB SER A 78 12.567 -7.027 -2.416 1.00 32.31 C ATOM 1139 OG SER A 78 13.855 -6.968 -1.820 1.00 72.41 O ATOM 0 H SER A 78 13.903 -4.560 -3.382 1.00 10.53 H new ATOM 0 HA SER A 78 11.328 -5.881 -3.719 1.00 71.32 H new ATOM 0 HB2 SER A 78 11.826 -7.280 -1.658 1.00 32.31 H new ATOM 0 HB3 SER A 78 12.546 -7.823 -3.161 1.00 32.31 H new ATOM 0 HG SER A 78 13.948 -6.127 -1.326 1.00 72.41 H new ATOM 1145 N VAL A 79 10.647 -4.024 -2.265 1.00 20.23 N ATOM 1146 CA VAL A 79 10.087 -3.108 -1.288 1.00 21.34 C ATOM 1147 C VAL A 79 9.453 -3.927 -0.176 1.00 13.44 C ATOM 1148 O VAL A 79 8.520 -4.688 -0.416 1.00 35.54 O ATOM 1149 CB VAL A 79 9.059 -2.131 -1.928 1.00 15.33 C ATOM 1150 CG1 VAL A 79 8.469 -1.174 -0.896 1.00 55.21 C ATOM 1151 CG2 VAL A 79 9.726 -1.349 -3.041 1.00 24.22 C ATOM 0 H VAL A 79 10.086 -4.138 -3.109 1.00 20.23 H new ATOM 0 HA VAL A 79 10.883 -2.484 -0.882 1.00 21.34 H new ATOM 0 HB VAL A 79 8.238 -2.723 -2.333 1.00 15.33 H new ATOM 0 HG11 VAL A 79 7.756 -0.508 -1.383 1.00 55.21 H new ATOM 0 HG12 VAL A 79 7.960 -1.745 -0.119 1.00 55.21 H new ATOM 0 HG13 VAL A 79 9.269 -0.584 -0.448 1.00 55.21 H new ATOM 0 HG21 VAL A 79 9.005 -0.665 -3.488 1.00 24.22 H new ATOM 0 HG22 VAL A 79 10.562 -0.780 -2.635 1.00 24.22 H new ATOM 0 HG23 VAL A 79 10.092 -2.039 -3.802 1.00 24.22 H new ATOM 1161 N ARG A 80 10.021 -3.817 1.021 1.00 74.32 N ATOM 1162 CA ARG A 80 9.537 -4.561 2.175 1.00 25.02 C ATOM 1163 C ARG A 80 8.313 -3.881 2.762 1.00 32.21 C ATOM 1164 O ARG A 80 8.422 -2.969 3.582 1.00 4.44 O ATOM 1165 CB ARG A 80 10.635 -4.677 3.241 1.00 31.34 C ATOM 1166 CG ARG A 80 11.859 -5.469 2.808 1.00 34.44 C ATOM 1167 CD ARG A 80 11.549 -6.950 2.661 1.00 23.13 C ATOM 1168 NE ARG A 80 11.076 -7.549 3.918 1.00 1.35 N ATOM 1169 CZ ARG A 80 11.114 -8.855 4.205 1.00 23.30 C ATOM 1170 NH1 ARG A 80 11.592 -9.734 3.322 1.00 14.54 N ATOM 1171 NH2 ARG A 80 10.668 -9.274 5.384 1.00 32.04 N ATOM 0 H ARG A 80 10.822 -3.216 1.216 1.00 74.32 H new ATOM 0 HA ARG A 80 9.263 -5.564 1.847 1.00 25.02 H new ATOM 0 HB2 ARG A 80 10.951 -3.674 3.529 1.00 31.34 H new ATOM 0 HB3 ARG A 80 10.212 -5.145 4.130 1.00 31.34 H new ATOM 0 HG2 ARG A 80 12.228 -5.079 1.859 1.00 34.44 H new ATOM 0 HG3 ARG A 80 12.656 -5.335 3.539 1.00 34.44 H new ATOM 0 HD2 ARG A 80 10.791 -7.085 1.889 1.00 23.13 H new ATOM 0 HD3 ARG A 80 12.444 -7.475 2.325 1.00 23.13 H new ATOM 0 HE ARG A 80 10.690 -6.922 4.624 1.00 1.35 H new ATOM 0 HH11 ARG A 80 11.934 -9.413 2.416 1.00 14.54 H new ATOM 0 HH12 ARG A 80 11.616 -10.727 3.553 1.00 14.54 H new ATOM 0 HH21 ARG A 80 10.302 -8.602 6.059 1.00 32.04 H new ATOM 0 HH22 ARG A 80 10.692 -10.267 5.615 1.00 32.04 H new ATOM 1185 N PHE A 81 7.150 -4.313 2.311 1.00 10.34 N ATOM 1186 CA PHE A 81 5.903 -3.760 2.786 1.00 12.13 C ATOM 1187 C PHE A 81 5.226 -4.744 3.728 1.00 33.32 C ATOM 1188 O PHE A 81 5.086 -5.932 3.420 1.00 72.34 O ATOM 1189 CB PHE A 81 4.974 -3.330 1.616 1.00 21.11 C ATOM 1190 CG PHE A 81 4.557 -4.424 0.654 1.00 32.53 C ATOM 1191 CD1 PHE A 81 5.374 -4.796 -0.400 1.00 23.24 C ATOM 1192 CD2 PHE A 81 3.340 -5.069 0.805 1.00 74.40 C ATOM 1193 CE1 PHE A 81 4.993 -5.792 -1.277 1.00 63.01 C ATOM 1194 CE2 PHE A 81 2.953 -6.065 -0.068 1.00 32.22 C ATOM 1195 CZ PHE A 81 3.780 -6.426 -1.110 1.00 51.53 C ATOM 0 H PHE A 81 7.047 -5.049 1.613 1.00 10.34 H new ATOM 0 HA PHE A 81 6.120 -2.850 3.345 1.00 12.13 H new ATOM 0 HB2 PHE A 81 4.074 -2.885 2.040 1.00 21.11 H new ATOM 0 HB3 PHE A 81 5.479 -2.549 1.048 1.00 21.11 H new ATOM 0 HD1 PHE A 81 6.323 -4.300 -0.538 1.00 23.24 H new ATOM 0 HD2 PHE A 81 2.685 -4.788 1.617 1.00 74.40 H new ATOM 0 HE1 PHE A 81 5.643 -6.074 -2.092 1.00 63.01 H new ATOM 0 HE2 PHE A 81 2.003 -6.561 0.065 1.00 32.22 H new ATOM 0 HZ PHE A 81 3.478 -7.205 -1.795 1.00 51.53 H new ATOM 1205 N LYS A 82 4.871 -4.262 4.902 1.00 12.54 N ATOM 1206 CA LYS A 82 4.113 -5.053 5.848 1.00 20.24 C ATOM 1207 C LYS A 82 2.814 -4.362 6.166 1.00 33.34 C ATOM 1208 O LYS A 82 2.804 -3.218 6.615 1.00 15.22 O ATOM 1209 CB LYS A 82 4.909 -5.339 7.128 1.00 62.20 C ATOM 1210 CG LYS A 82 5.789 -6.578 7.019 1.00 1.23 C ATOM 1211 CD LYS A 82 4.937 -7.820 6.799 1.00 60.31 C ATOM 1212 CE LYS A 82 5.763 -9.037 6.431 1.00 70.31 C ATOM 1213 NZ LYS A 82 4.890 -10.170 6.029 1.00 24.35 N ATOM 0 H LYS A 82 5.097 -3.321 5.224 1.00 12.54 H new ATOM 0 HA LYS A 82 3.902 -6.018 5.386 1.00 20.24 H new ATOM 0 HB2 LYS A 82 5.533 -4.476 7.361 1.00 62.20 H new ATOM 0 HB3 LYS A 82 4.216 -5.465 7.960 1.00 62.20 H new ATOM 0 HG2 LYS A 82 6.491 -6.461 6.194 1.00 1.23 H new ATOM 0 HG3 LYS A 82 6.381 -6.692 7.927 1.00 1.23 H new ATOM 0 HD2 LYS A 82 4.369 -8.032 7.705 1.00 60.31 H new ATOM 0 HD3 LYS A 82 4.213 -7.624 6.008 1.00 60.31 H new ATOM 0 HE2 LYS A 82 6.441 -8.788 5.615 1.00 70.31 H new ATOM 0 HE3 LYS A 82 6.381 -9.332 7.279 1.00 70.31 H new ATOM 0 HZ1 LYS A 82 5.479 -10.991 5.782 1.00 24.35 H new ATOM 0 HZ2 LYS A 82 4.261 -10.420 6.818 1.00 24.35 H new ATOM 0 HZ3 LYS A 82 4.319 -9.893 5.205 1.00 24.35 H new ATOM 1227 N ASP A 83 1.723 -5.066 5.924 1.00 53.20 N ATOM 1228 CA ASP A 83 0.408 -4.509 6.115 1.00 54.23 C ATOM 1229 C ASP A 83 -0.062 -4.784 7.538 1.00 12.15 C ATOM 1230 O ASP A 83 0.249 -5.822 8.121 1.00 22.50 O ATOM 1231 CB ASP A 83 -0.582 -5.035 5.057 1.00 33.54 C ATOM 1232 CG ASP A 83 -1.351 -6.287 5.451 1.00 22.01 C ATOM 1233 OD1 ASP A 83 -0.856 -7.402 5.211 1.00 33.41 O ATOM 1234 OD2 ASP A 83 -2.468 -6.144 5.989 1.00 11.23 O ATOM 0 H ASP A 83 1.729 -6.031 5.593 1.00 53.20 H new ATOM 0 HA ASP A 83 0.453 -3.429 5.978 1.00 54.23 H new ATOM 0 HB2 ASP A 83 -1.298 -4.245 4.829 1.00 33.54 H new ATOM 0 HB3 ASP A 83 -0.032 -5.241 4.139 1.00 33.54 H new ATOM 1239 N PHE A 84 -0.772 -3.826 8.093 1.00 74.01 N ATOM 1240 CA PHE A 84 -1.235 -3.891 9.466 1.00 4.42 C ATOM 1241 C PHE A 84 -2.745 -3.701 9.492 1.00 35.43 C ATOM 1242 O PHE A 84 -3.305 -3.181 10.470 1.00 21.35 O ATOM 1243 CB PHE A 84 -0.554 -2.808 10.325 1.00 60.33 C ATOM 1244 CG PHE A 84 0.948 -2.872 10.350 1.00 65.43 C ATOM 1245 CD1 PHE A 84 1.607 -3.933 10.955 1.00 11.25 C ATOM 1246 CD2 PHE A 84 1.701 -1.866 9.768 1.00 72.52 C ATOM 1247 CE1 PHE A 84 2.986 -3.990 10.974 1.00 73.44 C ATOM 1248 CE2 PHE A 84 3.082 -1.919 9.787 1.00 52.13 C ATOM 1249 CZ PHE A 84 3.725 -2.980 10.391 1.00 13.43 C ATOM 0 H PHE A 84 -1.047 -2.974 7.603 1.00 74.01 H new ATOM 0 HA PHE A 84 -0.977 -4.865 9.881 1.00 4.42 H new ATOM 0 HB2 PHE A 84 -0.855 -1.828 9.954 1.00 60.33 H new ATOM 0 HB3 PHE A 84 -0.924 -2.890 11.347 1.00 60.33 H new ATOM 0 HD1 PHE A 84 1.034 -4.724 11.417 1.00 11.25 H new ATOM 0 HD2 PHE A 84 1.204 -1.032 9.295 1.00 72.52 H new ATOM 0 HE1 PHE A 84 3.486 -4.824 11.444 1.00 73.44 H new ATOM 0 HE2 PHE A 84 3.658 -1.129 9.329 1.00 52.13 H new ATOM 0 HZ PHE A 84 4.804 -3.020 10.408 1.00 13.43 H new ATOM 1259 N SER A 85 -3.389 -4.102 8.388 1.00 30.20 N ATOM 1260 CA SER A 85 -4.832 -4.027 8.247 1.00 22.33 C ATOM 1261 C SER A 85 -5.544 -4.839 9.317 1.00 65.40 C ATOM 1262 O SER A 85 -5.438 -6.062 9.379 1.00 3.43 O ATOM 1263 CB SER A 85 -5.247 -4.506 6.867 1.00 12.11 C ATOM 1264 OG SER A 85 -4.450 -3.903 5.865 1.00 34.03 O ATOM 0 H SER A 85 -2.915 -4.487 7.571 1.00 30.20 H new ATOM 0 HA SER A 85 -5.124 -2.984 8.372 1.00 22.33 H new ATOM 0 HB2 SER A 85 -5.152 -5.590 6.810 1.00 12.11 H new ATOM 0 HB3 SER A 85 -6.297 -4.268 6.695 1.00 12.11 H new ATOM 0 HG SER A 85 -3.658 -4.456 5.700 1.00 34.03 H new ATOM 1270 N GLU A 86 -6.262 -4.119 10.153 1.00 22.42 N ATOM 1271 CA GLU A 86 -6.944 -4.675 11.295 1.00 71.20 C ATOM 1272 C GLU A 86 -8.428 -4.400 11.120 1.00 70.32 C ATOM 1273 O GLU A 86 -8.794 -3.404 10.498 1.00 70.04 O ATOM 1274 CB GLU A 86 -6.404 -4.013 12.571 1.00 22.25 C ATOM 1275 CG GLU A 86 -6.935 -4.586 13.879 1.00 21.33 C ATOM 1276 CD GLU A 86 -6.432 -3.840 15.096 1.00 41.03 C ATOM 1277 OE1 GLU A 86 -5.284 -4.085 15.514 1.00 61.51 O ATOM 1278 OE2 GLU A 86 -7.192 -3.013 15.649 1.00 1.24 O ATOM 0 H GLU A 86 -6.388 -3.112 10.053 1.00 22.42 H new ATOM 0 HA GLU A 86 -6.780 -5.749 11.377 1.00 71.20 H new ATOM 0 HB2 GLU A 86 -5.317 -4.097 12.572 1.00 22.25 H new ATOM 0 HB3 GLU A 86 -6.641 -2.950 12.537 1.00 22.25 H new ATOM 0 HG2 GLU A 86 -8.025 -4.558 13.866 1.00 21.33 H new ATOM 0 HG3 GLU A 86 -6.644 -5.634 13.955 1.00 21.33 H new ATOM 1285 N ASN A 87 -9.260 -5.316 11.629 1.00 13.34 N ATOM 1286 CA ASN A 87 -10.743 -5.236 11.577 1.00 40.12 C ATOM 1287 C ASN A 87 -11.243 -5.335 10.123 1.00 45.42 C ATOM 1288 O ASN A 87 -12.350 -4.909 9.792 1.00 61.13 O ATOM 1289 CB ASN A 87 -11.244 -3.938 12.242 1.00 4.50 C ATOM 1290 CG ASN A 87 -10.702 -3.747 13.655 1.00 14.24 C ATOM 1291 OD1 ASN A 87 -10.748 -4.650 14.488 1.00 5.21 O ATOM 1292 ND2 ASN A 87 -10.126 -2.581 13.906 1.00 15.50 N ATOM 0 H ASN A 87 -8.924 -6.156 12.101 1.00 13.34 H new ATOM 0 HA ASN A 87 -11.150 -6.080 12.134 1.00 40.12 H new ATOM 0 HB2 ASN A 87 -10.953 -3.086 11.628 1.00 4.50 H new ATOM 0 HB3 ASN A 87 -12.333 -3.950 12.275 1.00 4.50 H new ATOM 0 HD21 ASN A 87 -9.700 -2.408 14.817 1.00 15.50 H new ATOM 0 HD22 ASN A 87 -10.108 -1.856 13.189 1.00 15.50 H new ATOM 1299 N ALA A 88 -10.412 -5.935 9.272 1.00 61.43 N ATOM 1300 CA ALA A 88 -10.660 -6.002 7.844 1.00 13.14 C ATOM 1301 C ALA A 88 -10.916 -7.430 7.424 1.00 73.24 C ATOM 1302 O ALA A 88 -10.299 -8.359 7.954 1.00 3.32 O ATOM 1303 CB ALA A 88 -9.469 -5.450 7.078 1.00 72.43 C ATOM 0 H ALA A 88 -9.545 -6.389 9.561 1.00 61.43 H new ATOM 0 HA ALA A 88 -11.540 -5.401 7.617 1.00 13.14 H new ATOM 0 HB1 ALA A 88 -9.667 -5.506 6.008 1.00 72.43 H new ATOM 0 HB2 ALA A 88 -9.303 -4.411 7.363 1.00 72.43 H new ATOM 0 HB3 ALA A 88 -8.581 -6.037 7.314 1.00 72.43 H new ATOM 1309 N THR A 89 -11.828 -7.605 6.489 1.00 32.24 N ATOM 1310 CA THR A 89 -12.144 -8.928 5.985 1.00 70.55 C ATOM 1311 C THR A 89 -11.409 -9.220 4.678 1.00 2.32 C ATOM 1312 O THR A 89 -10.830 -10.294 4.519 1.00 25.41 O ATOM 1313 CB THR A 89 -13.662 -9.107 5.800 1.00 63.31 C ATOM 1314 OG1 THR A 89 -14.250 -7.884 5.335 1.00 62.44 O ATOM 1315 CG2 THR A 89 -14.323 -9.540 7.104 1.00 32.12 C ATOM 0 H THR A 89 -12.364 -6.849 6.062 1.00 32.24 H new ATOM 0 HA THR A 89 -11.803 -9.646 6.731 1.00 70.55 H new ATOM 0 HB THR A 89 -13.825 -9.888 5.057 1.00 63.31 H new ATOM 0 HG1 THR A 89 -15.213 -7.893 5.518 1.00 62.44 H new ATOM 0 HG21 THR A 89 -15.395 -9.659 6.946 1.00 32.12 H new ATOM 0 HG22 THR A 89 -13.896 -10.488 7.431 1.00 32.12 H new ATOM 0 HG23 THR A 89 -14.151 -8.782 7.868 1.00 32.12 H new ATOM 1323 N SER A 90 -11.408 -8.254 3.762 1.00 32.31 N ATOM 1324 CA SER A 90 -10.762 -8.414 2.465 1.00 74.23 C ATOM 1325 C SER A 90 -9.847 -7.225 2.154 1.00 35.25 C ATOM 1326 O SER A 90 -9.981 -6.160 2.759 1.00 63.11 O ATOM 1327 CB SER A 90 -11.827 -8.590 1.378 1.00 61.31 C ATOM 1328 OG SER A 90 -12.924 -7.712 1.580 1.00 61.53 O ATOM 0 H SER A 90 -11.852 -7.346 3.898 1.00 32.31 H new ATOM 0 HA SER A 90 -10.136 -9.306 2.491 1.00 74.23 H new ATOM 0 HB2 SER A 90 -11.385 -8.403 0.400 1.00 61.31 H new ATOM 0 HB3 SER A 90 -12.180 -9.621 1.376 1.00 61.31 H new ATOM 0 HG SER A 90 -12.722 -6.840 1.182 1.00 61.53 H new ATOM 1334 N ARG A 91 -8.901 -7.426 1.227 1.00 51.33 N ATOM 1335 CA ARG A 91 -7.953 -6.378 0.839 1.00 13.32 C ATOM 1336 C ARG A 91 -7.665 -6.412 -0.667 1.00 4.03 C ATOM 1337 O ARG A 91 -7.859 -7.432 -1.331 1.00 33.35 O ATOM 1338 CB ARG A 91 -6.649 -6.500 1.651 1.00 32.24 C ATOM 1339 CG ARG A 91 -5.810 -7.736 1.354 1.00 4.10 C ATOM 1340 CD ARG A 91 -4.874 -8.054 2.508 1.00 14.34 C ATOM 1341 NE ARG A 91 -5.619 -8.484 3.697 1.00 5.12 N ATOM 1342 CZ ARG A 91 -5.076 -8.772 4.884 1.00 61.51 C ATOM 1343 NH1 ARG A 91 -3.763 -8.739 5.056 1.00 53.55 N ATOM 1344 NH2 ARG A 91 -5.862 -9.121 5.891 1.00 21.24 N ATOM 0 H ARG A 91 -8.773 -8.308 0.732 1.00 51.33 H new ATOM 0 HA ARG A 91 -8.410 -5.414 1.064 1.00 13.32 H new ATOM 0 HB2 ARG A 91 -6.041 -5.615 1.465 1.00 32.24 H new ATOM 0 HB3 ARG A 91 -6.899 -6.498 2.712 1.00 32.24 H new ATOM 0 HG2 ARG A 91 -6.465 -8.587 1.168 1.00 4.10 H new ATOM 0 HG3 ARG A 91 -5.230 -7.575 0.445 1.00 4.10 H new ATOM 0 HD2 ARG A 91 -4.178 -8.838 2.209 1.00 14.34 H new ATOM 0 HD3 ARG A 91 -4.278 -7.174 2.749 1.00 14.34 H new ATOM 0 HE ARG A 91 -6.632 -8.570 3.611 1.00 5.12 H new ATOM 0 HH11 ARG A 91 -3.153 -8.491 4.277 1.00 53.55 H new ATOM 0 HH12 ARG A 91 -3.362 -8.961 5.967 1.00 53.55 H new ATOM 0 HH21 ARG A 91 -6.872 -9.168 5.757 1.00 21.24 H new ATOM 0 HH22 ARG A 91 -5.457 -9.343 6.801 1.00 21.24 H new ATOM 1358 N LEU A 92 -7.208 -5.277 -1.185 1.00 3.24 N ATOM 1359 CA LEU A 92 -6.936 -5.102 -2.602 1.00 1.41 C ATOM 1360 C LEU A 92 -5.692 -4.229 -2.748 1.00 12.25 C ATOM 1361 O LEU A 92 -5.634 -3.129 -2.195 1.00 73.03 O ATOM 1362 CB LEU A 92 -8.158 -4.433 -3.268 1.00 30.42 C ATOM 1363 CG LEU A 92 -8.426 -4.753 -4.748 1.00 1.11 C ATOM 1364 CD1 LEU A 92 -9.885 -4.495 -5.075 1.00 74.23 C ATOM 1365 CD2 LEU A 92 -7.552 -3.924 -5.677 1.00 23.52 C ATOM 0 H LEU A 92 -7.015 -4.446 -0.625 1.00 3.24 H new ATOM 0 HA LEU A 92 -6.758 -6.061 -3.088 1.00 1.41 H new ATOM 0 HB2 LEU A 92 -9.045 -4.710 -2.698 1.00 30.42 H new ATOM 0 HB3 LEU A 92 -8.043 -3.353 -3.173 1.00 30.42 H new ATOM 0 HG LEU A 92 -8.184 -5.804 -4.903 1.00 1.11 H new ATOM 0 HD11 LEU A 92 -10.068 -4.724 -6.125 1.00 74.23 H new ATOM 0 HD12 LEU A 92 -10.515 -5.128 -4.450 1.00 74.23 H new ATOM 0 HD13 LEU A 92 -10.121 -3.448 -4.885 1.00 74.23 H new ATOM 0 HD21 LEU A 92 -7.774 -4.182 -6.712 1.00 23.52 H new ATOM 0 HD22 LEU A 92 -7.752 -2.865 -5.516 1.00 23.52 H new ATOM 0 HD23 LEU A 92 -6.502 -4.130 -5.469 1.00 23.52 H new ATOM 1377 N TRP A 93 -4.690 -4.725 -3.455 1.00 24.04 N ATOM 1378 CA TRP A 93 -3.514 -3.923 -3.752 1.00 23.21 C ATOM 1379 C TRP A 93 -3.671 -3.223 -5.089 1.00 73.11 C ATOM 1380 O TRP A 93 -3.716 -3.863 -6.142 1.00 34.52 O ATOM 1381 CB TRP A 93 -2.245 -4.779 -3.752 1.00 41.24 C ATOM 1382 CG TRP A 93 -1.813 -5.215 -2.385 1.00 44.32 C ATOM 1383 CD1 TRP A 93 -1.956 -6.454 -1.838 1.00 14.40 C ATOM 1384 CD2 TRP A 93 -1.173 -4.405 -1.388 1.00 50.41 C ATOM 1385 NE1 TRP A 93 -1.429 -6.473 -0.571 1.00 74.32 N ATOM 1386 CE2 TRP A 93 -0.945 -5.227 -0.269 1.00 2.43 C ATOM 1387 CE3 TRP A 93 -0.759 -3.067 -1.339 1.00 22.52 C ATOM 1388 CZ2 TRP A 93 -0.330 -4.752 0.889 1.00 72.22 C ATOM 1389 CZ3 TRP A 93 -0.150 -2.601 -0.191 1.00 72.32 C ATOM 1390 CH2 TRP A 93 0.063 -3.440 0.908 1.00 34.40 C ATOM 0 H TRP A 93 -4.666 -5.673 -3.832 1.00 24.04 H new ATOM 0 HA TRP A 93 -3.418 -3.171 -2.969 1.00 23.21 H new ATOM 0 HB2 TRP A 93 -2.413 -5.662 -4.369 1.00 41.24 H new ATOM 0 HB3 TRP A 93 -1.436 -4.214 -4.216 1.00 41.24 H new ATOM 0 HD1 TRP A 93 -2.417 -7.298 -2.329 1.00 14.40 H new ATOM 0 HE1 TRP A 93 -1.402 -7.284 0.047 1.00 74.32 H new ATOM 0 HE3 TRP A 93 -0.914 -2.412 -2.184 1.00 22.52 H new ATOM 0 HZ2 TRP A 93 -0.169 -5.396 1.741 1.00 72.22 H new ATOM 0 HZ3 TRP A 93 0.168 -1.570 -0.140 1.00 72.32 H new ATOM 0 HH2 TRP A 93 0.547 -3.045 1.789 1.00 34.40 H new ATOM 1401 N MET A 94 -3.774 -1.906 -5.041 1.00 25.41 N ATOM 1402 CA MET A 94 -3.884 -1.113 -6.252 1.00 25.22 C ATOM 1403 C MET A 94 -2.533 -0.533 -6.616 1.00 60.33 C ATOM 1404 O MET A 94 -2.080 0.454 -6.030 1.00 21.31 O ATOM 1405 CB MET A 94 -4.931 -0.003 -6.119 1.00 73.41 C ATOM 1406 CG MET A 94 -6.354 -0.525 -6.049 1.00 70.53 C ATOM 1407 SD MET A 94 -7.586 0.786 -5.998 1.00 23.32 S ATOM 1408 CE MET A 94 -9.093 -0.180 -6.013 1.00 0.41 C ATOM 0 H MET A 94 -3.784 -1.364 -4.177 1.00 25.41 H new ATOM 0 HA MET A 94 -4.218 -1.773 -7.052 1.00 25.22 H new ATOM 0 HB2 MET A 94 -4.721 0.580 -5.222 1.00 73.41 H new ATOM 0 HB3 MET A 94 -4.841 0.675 -6.968 1.00 73.41 H new ATOM 0 HG2 MET A 94 -6.544 -1.161 -6.914 1.00 70.53 H new ATOM 0 HG3 MET A 94 -6.462 -1.151 -5.163 1.00 70.53 H new ATOM 0 HE1 MET A 94 -9.944 0.470 -5.807 1.00 0.41 H new ATOM 0 HE2 MET A 94 -9.219 -0.643 -6.992 1.00 0.41 H new ATOM 0 HE3 MET A 94 -9.036 -0.956 -5.249 1.00 0.41 H new ATOM 1418 N PHE A 95 -1.869 -1.201 -7.548 1.00 13.15 N ATOM 1419 CA PHE A 95 -0.593 -0.743 -8.071 1.00 64.35 C ATOM 1420 C PHE A 95 -0.817 0.122 -9.314 1.00 12.24 C ATOM 1421 O PHE A 95 -0.090 1.087 -9.548 1.00 3.10 O ATOM 1422 CB PHE A 95 0.291 -1.961 -8.387 1.00 41.15 C ATOM 1423 CG PHE A 95 1.679 -1.618 -8.853 1.00 40.54 C ATOM 1424 CD1 PHE A 95 2.554 -0.934 -8.024 1.00 5.24 C ATOM 1425 CD2 PHE A 95 2.106 -1.981 -10.118 1.00 53.33 C ATOM 1426 CE1 PHE A 95 3.824 -0.618 -8.452 1.00 64.11 C ATOM 1427 CE2 PHE A 95 3.379 -1.667 -10.550 1.00 43.24 C ATOM 1428 CZ PHE A 95 4.238 -0.985 -9.717 1.00 71.14 C ATOM 0 H PHE A 95 -2.200 -2.073 -7.961 1.00 13.15 H new ATOM 0 HA PHE A 95 -0.084 -0.130 -7.327 1.00 64.35 H new ATOM 0 HB2 PHE A 95 0.364 -2.583 -7.495 1.00 41.15 H new ATOM 0 HB3 PHE A 95 -0.199 -2.561 -9.154 1.00 41.15 H new ATOM 0 HD1 PHE A 95 2.237 -0.646 -7.033 1.00 5.24 H new ATOM 0 HD2 PHE A 95 1.436 -2.516 -10.775 1.00 53.33 H new ATOM 0 HE1 PHE A 95 4.497 -0.083 -7.798 1.00 64.11 H new ATOM 0 HE2 PHE A 95 3.701 -1.956 -11.540 1.00 43.24 H new ATOM 0 HZ PHE A 95 5.234 -0.738 -10.053 1.00 71.14 H new ATOM 1438 N GLY A 96 -1.857 -0.215 -10.081 1.00 21.23 N ATOM 1439 CA GLY A 96 -2.186 0.538 -11.281 1.00 30.15 C ATOM 1440 C GLY A 96 -1.696 -0.112 -12.565 1.00 25.32 C ATOM 1441 O GLY A 96 -1.926 0.416 -13.653 1.00 0.51 O ATOM 0 H GLY A 96 -2.479 -1.000 -9.889 1.00 21.23 H new ATOM 0 HA2 GLY A 96 -3.268 0.661 -11.337 1.00 30.15 H new ATOM 0 HA3 GLY A 96 -1.755 1.536 -11.202 1.00 30.15 H new ATOM 1445 N ASP A 97 -1.049 -1.267 -12.445 1.00 64.22 N ATOM 1446 CA ASP A 97 -0.474 -1.940 -13.603 1.00 62.22 C ATOM 1447 C ASP A 97 -0.930 -3.388 -13.658 1.00 62.31 C ATOM 1448 O ASP A 97 -0.743 -4.143 -12.698 1.00 74.01 O ATOM 1449 CB ASP A 97 1.056 -1.855 -13.587 1.00 52.45 C ATOM 1450 CG ASP A 97 1.692 -2.446 -14.834 1.00 11.34 C ATOM 1451 OD1 ASP A 97 1.394 -1.962 -15.945 1.00 33.13 O ATOM 1452 OD2 ASP A 97 2.506 -3.378 -14.705 1.00 62.23 O ATOM 0 H ASP A 97 -0.910 -1.755 -11.560 1.00 64.22 H new ATOM 0 HA ASP A 97 -0.828 -1.431 -14.500 1.00 62.22 H new ATOM 0 HB2 ASP A 97 1.356 -0.812 -13.491 1.00 52.45 H new ATOM 0 HB3 ASP A 97 1.435 -2.378 -12.709 1.00 52.45 H new ATOM 1457 N GLY A 98 -1.545 -3.752 -14.780 1.00 54.03 N ATOM 1458 CA GLY A 98 -2.006 -5.109 -14.987 1.00 12.11 C ATOM 1459 C GLY A 98 -3.260 -5.423 -14.201 1.00 3.22 C ATOM 1460 O GLY A 98 -4.204 -4.625 -14.163 1.00 71.10 O ATOM 0 H GLY A 98 -1.733 -3.119 -15.558 1.00 54.03 H new ATOM 0 HA2 GLY A 98 -2.198 -5.266 -16.048 1.00 12.11 H new ATOM 0 HA3 GLY A 98 -1.218 -5.805 -14.700 1.00 12.11 H new ATOM 1464 N ASN A 99 -3.264 -6.590 -13.581 1.00 71.23 N ATOM 1465 CA ASN A 99 -4.366 -7.028 -12.765 1.00 11.31 C ATOM 1466 C ASN A 99 -4.104 -6.649 -11.311 1.00 52.14 C ATOM 1467 O ASN A 99 -3.092 -7.051 -10.726 1.00 74.24 O ATOM 1468 CB ASN A 99 -4.541 -8.541 -12.938 1.00 4.14 C ATOM 1469 CG ASN A 99 -5.768 -9.085 -12.248 1.00 75.23 C ATOM 1470 OD1 ASN A 99 -6.858 -9.115 -12.814 1.00 41.40 O ATOM 1471 ND2 ASN A 99 -5.590 -9.548 -11.034 1.00 42.05 N ATOM 0 H ASN A 99 -2.496 -7.259 -13.634 1.00 71.23 H new ATOM 0 HA ASN A 99 -5.291 -6.540 -13.072 1.00 11.31 H new ATOM 0 HB2 ASN A 99 -4.598 -8.773 -14.001 1.00 4.14 H new ATOM 0 HB3 ASN A 99 -3.659 -9.048 -12.548 1.00 4.14 H new ATOM 0 HD21 ASN A 99 -6.374 -9.953 -10.523 1.00 42.05 H new ATOM 0 HD22 ASN A 99 -4.667 -9.503 -10.601 1.00 42.05 H new ATOM 1478 N THR A 100 -5.021 -5.873 -10.743 1.00 71.34 N ATOM 1479 CA THR A 100 -4.905 -5.422 -9.358 1.00 41.13 C ATOM 1480 C THR A 100 -5.403 -6.491 -8.372 1.00 4.12 C ATOM 1481 O THR A 100 -5.989 -7.484 -8.784 1.00 31.03 O ATOM 1482 CB THR A 100 -5.648 -4.081 -9.128 1.00 54.25 C ATOM 1483 OG1 THR A 100 -6.981 -4.137 -9.659 1.00 11.44 O ATOM 1484 CG2 THR A 100 -4.883 -2.919 -9.761 1.00 72.53 C ATOM 0 H THR A 100 -5.858 -5.541 -11.222 1.00 71.34 H new ATOM 0 HA THR A 100 -3.845 -5.255 -9.168 1.00 41.13 H new ATOM 0 HB THR A 100 -5.707 -3.915 -8.052 1.00 54.25 H new ATOM 0 HG1 THR A 100 -7.432 -3.281 -9.501 1.00 11.44 H new ATOM 0 HG21 THR A 100 -5.424 -1.989 -9.586 1.00 72.53 H new ATOM 0 HG22 THR A 100 -3.891 -2.851 -9.315 1.00 72.53 H new ATOM 0 HG23 THR A 100 -4.788 -3.087 -10.834 1.00 72.53 H new ATOM 1602 N THR A 109 8.561 -4.683 -7.315 1.00 1.23 N ATOM 1603 CA THR A 109 9.901 -4.240 -7.599 1.00 41.41 C ATOM 1604 C THR A 109 9.850 -2.968 -8.439 1.00 24.00 C ATOM 1605 O THR A 109 9.161 -2.925 -9.463 1.00 70.14 O ATOM 1606 CB THR A 109 10.665 -5.336 -8.378 1.00 61.53 C ATOM 1607 OG1 THR A 109 10.597 -6.580 -7.664 1.00 11.35 O ATOM 1608 CG2 THR A 109 12.122 -4.951 -8.600 1.00 2.25 C ATOM 0 HA THR A 109 10.416 -4.040 -6.660 1.00 41.41 H new ATOM 0 HB THR A 109 10.191 -5.445 -9.354 1.00 61.53 H new ATOM 0 HG1 THR A 109 11.286 -6.595 -6.967 1.00 11.35 H new ATOM 0 HG21 THR A 109 12.628 -5.744 -9.150 1.00 2.25 H new ATOM 0 HG22 THR A 109 12.170 -4.024 -9.172 1.00 2.25 H new ATOM 0 HG23 THR A 109 12.612 -4.808 -7.637 1.00 2.25 H new ATOM 1616 N PHE A 110 10.556 -1.934 -8.001 1.00 10.20 N ATOM 1617 CA PHE A 110 10.686 -0.732 -8.800 1.00 64.33 C ATOM 1618 C PHE A 110 12.001 -0.774 -9.558 1.00 71.12 C ATOM 1619 O PHE A 110 13.079 -0.675 -8.971 1.00 53.53 O ATOM 1620 CB PHE A 110 10.570 0.536 -7.943 1.00 2.24 C ATOM 1621 CG PHE A 110 9.240 0.663 -7.249 1.00 12.31 C ATOM 1622 CD1 PHE A 110 8.058 0.645 -7.972 1.00 24.10 C ATOM 1623 CD2 PHE A 110 9.173 0.783 -5.873 1.00 71.02 C ATOM 1624 CE1 PHE A 110 6.839 0.738 -7.331 1.00 52.22 C ATOM 1625 CE2 PHE A 110 7.955 0.881 -5.229 1.00 15.43 C ATOM 1626 CZ PHE A 110 6.790 0.856 -5.956 1.00 13.43 C ATOM 0 H PHE A 110 11.042 -1.907 -7.105 1.00 10.20 H new ATOM 0 HA PHE A 110 9.865 -0.696 -9.516 1.00 64.33 H new ATOM 0 HB2 PHE A 110 11.364 0.536 -7.196 1.00 2.24 H new ATOM 0 HB3 PHE A 110 10.728 1.410 -8.575 1.00 2.24 H new ATOM 0 HD1 PHE A 110 8.091 0.557 -9.048 1.00 24.10 H new ATOM 0 HD2 PHE A 110 10.085 0.800 -5.294 1.00 71.02 H new ATOM 0 HE1 PHE A 110 5.924 0.718 -7.905 1.00 52.22 H new ATOM 0 HE2 PHE A 110 7.919 0.977 -4.154 1.00 15.43 H new ATOM 0 HZ PHE A 110 5.837 0.929 -5.453 1.00 13.43 H new ATOM 1636 N PHE A 111 11.889 -0.974 -10.866 1.00 31.31 N ATOM 1637 CA PHE A 111 13.047 -1.073 -11.749 1.00 11.52 C ATOM 1638 C PHE A 111 13.506 0.311 -12.200 1.00 1.22 C ATOM 1639 O PHE A 111 14.681 0.520 -12.499 1.00 51.43 O ATOM 1640 CB PHE A 111 12.712 -1.915 -12.989 1.00 12.41 C ATOM 1641 CG PHE A 111 12.328 -3.343 -12.702 1.00 24.35 C ATOM 1642 CD1 PHE A 111 13.295 -4.282 -12.392 1.00 44.32 C ATOM 1643 CD2 PHE A 111 11.002 -3.747 -12.762 1.00 41.13 C ATOM 1644 CE1 PHE A 111 12.952 -5.595 -12.148 1.00 45.44 C ATOM 1645 CE2 PHE A 111 10.652 -5.061 -12.516 1.00 74.21 C ATOM 1646 CZ PHE A 111 11.627 -5.986 -12.208 1.00 54.43 C ATOM 0 H PHE A 111 10.994 -1.072 -11.345 1.00 31.31 H new ATOM 0 HA PHE A 111 13.848 -1.554 -11.188 1.00 11.52 H new ATOM 0 HB2 PHE A 111 11.894 -1.435 -13.526 1.00 12.41 H new ATOM 0 HB3 PHE A 111 13.575 -1.913 -13.655 1.00 12.41 H new ATOM 0 HD1 PHE A 111 14.332 -3.983 -12.340 1.00 44.32 H new ATOM 0 HD2 PHE A 111 10.235 -3.026 -13.004 1.00 41.13 H new ATOM 0 HE1 PHE A 111 13.718 -6.318 -11.910 1.00 45.44 H new ATOM 0 HE2 PHE A 111 9.616 -5.363 -12.565 1.00 74.21 H new ATOM 0 HZ PHE A 111 11.356 -7.013 -12.014 1.00 54.43 H new ATOM 1656 N ASN A 112 12.566 1.246 -12.241 1.00 54.30 N ATOM 1657 CA ASN A 112 12.823 2.581 -12.757 1.00 44.23 C ATOM 1658 C ASN A 112 12.817 3.605 -11.630 1.00 42.43 C ATOM 1659 O ASN A 112 12.239 3.374 -10.564 1.00 43.41 O ATOM 1660 CB ASN A 112 11.776 2.953 -13.819 1.00 75.32 C ATOM 1661 CG ASN A 112 11.808 2.048 -15.040 1.00 42.35 C ATOM 1662 OD1 ASN A 112 11.139 1.015 -15.080 1.00 65.31 O ATOM 1663 ND2 ASN A 112 12.569 2.443 -16.050 1.00 44.54 N ATOM 0 H ASN A 112 11.609 1.100 -11.919 1.00 54.30 H new ATOM 0 HA ASN A 112 13.810 2.585 -13.220 1.00 44.23 H new ATOM 0 HB2 ASN A 112 10.783 2.911 -13.371 1.00 75.32 H new ATOM 0 HB3 ASN A 112 11.940 3.983 -14.135 1.00 75.32 H new ATOM 0 HD21 ASN A 112 12.616 1.884 -16.902 1.00 44.54 H new ATOM 0 HD22 ASN A 112 13.108 3.306 -15.976 1.00 44.54 H new ATOM 1670 N GLU A 113 13.491 4.719 -11.867 1.00 64.04 N ATOM 1671 CA GLU A 113 13.511 5.839 -10.935 1.00 22.24 C ATOM 1672 C GLU A 113 12.304 6.754 -11.189 1.00 11.25 C ATOM 1673 O GLU A 113 12.031 7.117 -12.338 1.00 31.41 O ATOM 1674 CB GLU A 113 14.809 6.622 -11.130 1.00 55.40 C ATOM 1675 CG GLU A 113 15.059 7.697 -10.090 1.00 62.43 C ATOM 1676 CD GLU A 113 15.842 8.857 -10.655 1.00 51.41 C ATOM 1677 OE1 GLU A 113 17.054 8.706 -10.880 1.00 2.25 O ATOM 1678 OE2 GLU A 113 15.237 9.916 -10.906 1.00 22.23 O ATOM 0 H GLU A 113 14.041 4.874 -12.712 1.00 64.04 H new ATOM 0 HA GLU A 113 13.457 5.467 -9.912 1.00 22.24 H new ATOM 0 HB2 GLU A 113 15.645 5.923 -11.119 1.00 55.40 H new ATOM 0 HB3 GLU A 113 14.794 7.085 -12.116 1.00 55.40 H new ATOM 0 HG2 GLU A 113 14.105 8.057 -9.704 1.00 62.43 H new ATOM 0 HG3 GLU A 113 15.603 7.268 -9.248 1.00 62.43 H new ATOM 1685 N GLY A 114 11.607 7.131 -10.122 1.00 12.52 N ATOM 1686 CA GLY A 114 10.451 8.005 -10.253 1.00 33.12 C ATOM 1687 C GLY A 114 9.640 8.096 -8.980 1.00 51.12 C ATOM 1688 O GLY A 114 10.020 7.534 -7.957 1.00 42.24 O ATOM 0 H GLY A 114 11.821 6.847 -9.166 1.00 12.52 H new ATOM 0 HA2 GLY A 114 10.785 9.003 -10.538 1.00 33.12 H new ATOM 0 HA3 GLY A 114 9.814 7.640 -11.059 1.00 33.12 H new ATOM 1692 N GLU A 115 8.525 8.805 -9.042 1.00 72.55 N ATOM 1693 CA GLU A 115 7.637 8.941 -7.895 1.00 53.03 C ATOM 1694 C GLU A 115 6.487 7.948 -8.027 1.00 15.13 C ATOM 1695 O GLU A 115 5.718 7.995 -8.987 1.00 5.21 O ATOM 1696 CB GLU A 115 7.113 10.372 -7.801 1.00 64.52 C ATOM 1697 CG GLU A 115 6.353 10.680 -6.517 1.00 22.00 C ATOM 1698 CD GLU A 115 5.899 12.123 -6.446 1.00 3.34 C ATOM 1699 OE1 GLU A 115 4.897 12.462 -7.101 1.00 11.34 O ATOM 1700 OE2 GLU A 115 6.546 12.921 -5.743 1.00 63.31 O ATOM 0 H GLU A 115 8.211 9.298 -9.878 1.00 72.55 H new ATOM 0 HA GLU A 115 8.187 8.724 -6.979 1.00 53.03 H new ATOM 0 HB2 GLU A 115 7.954 11.060 -7.885 1.00 64.52 H new ATOM 0 HB3 GLU A 115 6.458 10.563 -8.651 1.00 64.52 H new ATOM 0 HG2 GLU A 115 5.485 10.025 -6.446 1.00 22.00 H new ATOM 0 HG3 GLU A 115 6.989 10.460 -5.660 1.00 22.00 H new ATOM 1707 N TYR A 116 6.395 7.036 -7.076 1.00 62.11 N ATOM 1708 CA TYR A 116 5.412 5.966 -7.134 1.00 63.43 C ATOM 1709 C TYR A 116 4.437 6.067 -5.984 1.00 55.43 C ATOM 1710 O TYR A 116 4.739 6.654 -4.952 1.00 3.01 O ATOM 1711 CB TYR A 116 6.113 4.605 -7.128 1.00 34.13 C ATOM 1712 CG TYR A 116 7.014 4.418 -8.325 1.00 50.33 C ATOM 1713 CD1 TYR A 116 6.474 4.238 -9.589 1.00 10.03 C ATOM 1714 CD2 TYR A 116 8.394 4.440 -8.195 1.00 1.54 C ATOM 1715 CE1 TYR A 116 7.282 4.093 -10.693 1.00 51.23 C ATOM 1716 CE2 TYR A 116 9.211 4.291 -9.298 1.00 55.34 C ATOM 1717 CZ TYR A 116 8.646 4.117 -10.543 1.00 2.40 C ATOM 1718 OH TYR A 116 9.449 3.981 -11.644 1.00 45.43 O ATOM 0 H TYR A 116 6.992 7.014 -6.249 1.00 62.11 H new ATOM 0 HA TYR A 116 4.849 6.066 -8.062 1.00 63.43 H new ATOM 0 HB2 TYR A 116 6.700 4.506 -6.215 1.00 34.13 H new ATOM 0 HB3 TYR A 116 5.364 3.813 -7.113 1.00 34.13 H new ATOM 0 HD1 TYR A 116 5.401 4.211 -9.709 1.00 10.03 H new ATOM 0 HD2 TYR A 116 8.836 4.575 -7.219 1.00 1.54 H new ATOM 0 HE1 TYR A 116 6.845 3.961 -11.672 1.00 51.23 H new ATOM 0 HE2 TYR A 116 10.285 4.311 -9.186 1.00 55.34 H new ATOM 0 HH TYR A 116 10.271 3.509 -11.393 1.00 45.43 H new ATOM 1728 N ILE A 117 3.248 5.520 -6.182 1.00 1.43 N ATOM 1729 CA ILE A 117 2.204 5.581 -5.170 1.00 35.03 C ATOM 1730 C ILE A 117 1.673 4.174 -4.879 1.00 12.04 C ATOM 1731 O ILE A 117 1.112 3.514 -5.760 1.00 62.11 O ATOM 1732 CB ILE A 117 1.032 6.518 -5.597 1.00 30.10 C ATOM 1733 CG1 ILE A 117 1.545 7.925 -5.958 1.00 40.22 C ATOM 1734 CG2 ILE A 117 0.014 6.616 -4.471 1.00 3.24 C ATOM 1735 CD1 ILE A 117 0.520 8.811 -6.640 1.00 73.11 C ATOM 0 H ILE A 117 2.981 5.028 -7.035 1.00 1.43 H new ATOM 0 HA ILE A 117 2.646 5.999 -4.265 1.00 35.03 H new ATOM 0 HB ILE A 117 0.561 6.090 -6.482 1.00 30.10 H new ATOM 0 HG12 ILE A 117 1.885 8.419 -5.048 1.00 40.22 H new ATOM 0 HG13 ILE A 117 2.413 7.826 -6.610 1.00 40.22 H new ATOM 0 HG21 ILE A 117 -0.802 7.272 -4.774 1.00 3.24 H new ATOM 0 HG22 ILE A 117 -0.380 5.624 -4.250 1.00 3.24 H new ATOM 0 HG23 ILE A 117 0.494 7.023 -3.581 1.00 3.24 H new ATOM 0 HD11 ILE A 117 0.966 9.782 -6.858 1.00 73.11 H new ATOM 0 HD12 ILE A 117 0.196 8.343 -7.570 1.00 73.11 H new ATOM 0 HD13 ILE A 117 -0.339 8.946 -5.983 1.00 73.11 H new ATOM 1747 N VAL A 118 1.885 3.712 -3.649 1.00 22.12 N ATOM 1748 CA VAL A 118 1.368 2.417 -3.205 1.00 22.45 C ATOM 1749 C VAL A 118 0.105 2.641 -2.375 1.00 2.33 C ATOM 1750 O VAL A 118 0.121 3.430 -1.424 1.00 34.04 O ATOM 1751 CB VAL A 118 2.419 1.624 -2.368 1.00 24.34 C ATOM 1752 CG1 VAL A 118 1.891 0.255 -1.951 1.00 44.22 C ATOM 1753 CG2 VAL A 118 3.718 1.460 -3.142 1.00 73.13 C ATOM 0 H VAL A 118 2.414 4.217 -2.938 1.00 22.12 H new ATOM 0 HA VAL A 118 1.140 1.821 -4.089 1.00 22.45 H new ATOM 0 HB VAL A 118 2.613 2.205 -1.466 1.00 24.34 H new ATOM 0 HG11 VAL A 118 2.651 -0.267 -1.370 1.00 44.22 H new ATOM 0 HG12 VAL A 118 0.994 0.380 -1.345 1.00 44.22 H new ATOM 0 HG13 VAL A 118 1.650 -0.328 -2.840 1.00 44.22 H new ATOM 0 HG21 VAL A 118 4.434 0.904 -2.537 1.00 73.13 H new ATOM 0 HG22 VAL A 118 3.524 0.916 -4.067 1.00 73.13 H new ATOM 0 HG23 VAL A 118 4.128 2.442 -3.378 1.00 73.13 H new ATOM 1763 N SER A 119 -0.985 1.974 -2.749 1.00 61.21 N ATOM 1764 CA SER A 119 -2.232 2.102 -2.017 1.00 21.12 C ATOM 1765 C SER A 119 -2.763 0.736 -1.576 1.00 43.44 C ATOM 1766 O SER A 119 -2.939 -0.184 -2.386 1.00 13.44 O ATOM 1767 CB SER A 119 -3.274 2.854 -2.855 1.00 22.35 C ATOM 1768 OG SER A 119 -4.435 3.154 -2.090 1.00 43.13 O ATOM 0 H SER A 119 -1.025 1.344 -3.550 1.00 61.21 H new ATOM 0 HA SER A 119 -2.034 2.682 -1.116 1.00 21.12 H new ATOM 0 HB2 SER A 119 -2.839 3.778 -3.237 1.00 22.35 H new ATOM 0 HB3 SER A 119 -3.552 2.251 -3.720 1.00 22.35 H new ATOM 0 HG SER A 119 -4.186 3.272 -1.150 1.00 43.13 H new ATOM 1774 N LEU A 120 -3.000 0.630 -0.275 1.00 31.34 N ATOM 1775 CA LEU A 120 -3.644 -0.525 0.333 1.00 74.43 C ATOM 1776 C LEU A 120 -5.077 -0.154 0.662 1.00 11.10 C ATOM 1777 O LEU A 120 -5.319 0.712 1.494 1.00 32.40 O ATOM 1778 CB LEU A 120 -2.864 -0.939 1.601 1.00 40.51 C ATOM 1779 CG LEU A 120 -3.444 -2.047 2.513 1.00 52.24 C ATOM 1780 CD1 LEU A 120 -3.805 -3.309 1.735 1.00 20.42 C ATOM 1781 CD2 LEU A 120 -2.431 -2.377 3.581 1.00 10.13 C ATOM 0 H LEU A 120 -2.746 1.355 0.396 1.00 31.34 H new ATOM 0 HA LEU A 120 -3.646 -1.374 -0.350 1.00 74.43 H new ATOM 0 HB2 LEU A 120 -1.871 -1.259 1.286 1.00 40.51 H new ATOM 0 HB3 LEU A 120 -2.732 -0.046 2.212 1.00 40.51 H new ATOM 0 HG LEU A 120 -4.365 -1.671 2.958 1.00 52.24 H new ATOM 0 HD11 LEU A 120 -4.207 -4.056 2.419 1.00 20.42 H new ATOM 0 HD12 LEU A 120 -4.553 -3.069 0.979 1.00 20.42 H new ATOM 0 HD13 LEU A 120 -2.913 -3.705 1.250 1.00 20.42 H new ATOM 0 HD21 LEU A 120 -2.828 -3.157 4.231 1.00 10.13 H new ATOM 0 HD22 LEU A 120 -1.511 -2.728 3.114 1.00 10.13 H new ATOM 0 HD23 LEU A 120 -2.221 -1.485 4.171 1.00 10.13 H new ATOM 1793 N ILE A 121 -6.022 -0.797 0.000 1.00 32.24 N ATOM 1794 CA ILE A 121 -7.424 -0.556 0.269 1.00 12.31 C ATOM 1795 C ILE A 121 -8.034 -1.834 0.819 1.00 43.15 C ATOM 1796 O ILE A 121 -7.950 -2.894 0.214 1.00 5.13 O ATOM 1797 CB ILE A 121 -8.183 0.027 -0.991 1.00 13.35 C ATOM 1798 CG1 ILE A 121 -9.688 0.349 -0.717 1.00 34.03 C ATOM 1799 CG2 ILE A 121 -8.014 -0.846 -2.238 1.00 0.42 C ATOM 1800 CD1 ILE A 121 -10.682 -0.801 -0.871 1.00 0.34 C ATOM 0 H ILE A 121 -5.842 -1.489 -0.727 1.00 32.24 H new ATOM 0 HA ILE A 121 -7.530 0.223 1.024 1.00 12.31 H new ATOM 0 HB ILE A 121 -7.698 0.981 -1.196 1.00 13.35 H new ATOM 0 HG12 ILE A 121 -9.772 0.736 0.298 1.00 34.03 H new ATOM 0 HG13 ILE A 121 -9.991 1.151 -1.390 1.00 34.03 H new ATOM 0 HG21 ILE A 121 -8.555 -0.399 -3.072 1.00 0.42 H new ATOM 0 HG22 ILE A 121 -6.956 -0.920 -2.490 1.00 0.42 H new ATOM 0 HG23 ILE A 121 -8.410 -1.842 -2.041 1.00 0.42 H new ATOM 0 HD11 ILE A 121 -11.688 -0.444 -0.653 1.00 0.34 H new ATOM 0 HD12 ILE A 121 -10.645 -1.180 -1.892 1.00 0.34 H new ATOM 0 HD13 ILE A 121 -10.423 -1.601 -0.178 1.00 0.34 H new ATOM 1812 N VAL A 122 -8.615 -1.729 1.997 1.00 32.21 N ATOM 1813 CA VAL A 122 -9.282 -2.855 2.621 1.00 31.24 C ATOM 1814 C VAL A 122 -10.776 -2.599 2.679 1.00 54.24 C ATOM 1815 O VAL A 122 -11.219 -1.456 2.771 1.00 65.14 O ATOM 1816 CB VAL A 122 -8.731 -3.177 4.038 1.00 23.14 C ATOM 1817 CG1 VAL A 122 -7.303 -3.679 3.947 1.00 44.35 C ATOM 1818 CG2 VAL A 122 -8.802 -1.974 4.972 1.00 23.22 C ATOM 0 H VAL A 122 -8.639 -0.869 2.545 1.00 32.21 H new ATOM 0 HA VAL A 122 -9.080 -3.731 2.004 1.00 31.24 H new ATOM 0 HB VAL A 122 -9.365 -3.957 4.459 1.00 23.14 H new ATOM 0 HG11 VAL A 122 -6.931 -3.900 4.947 1.00 44.35 H new ATOM 0 HG12 VAL A 122 -7.273 -4.584 3.340 1.00 44.35 H new ATOM 0 HG13 VAL A 122 -6.677 -2.914 3.488 1.00 44.35 H new ATOM 0 HG21 VAL A 122 -8.406 -2.249 5.950 1.00 23.22 H new ATOM 0 HG22 VAL A 122 -8.212 -1.156 4.558 1.00 23.22 H new ATOM 0 HG23 VAL A 122 -9.839 -1.656 5.077 1.00 23.22 H new ATOM 1828 N SER A 123 -11.546 -3.661 2.609 1.00 22.41 N ATOM 1829 CA SER A 123 -12.984 -3.546 2.576 1.00 51.11 C ATOM 1830 C SER A 123 -13.612 -4.462 3.611 1.00 1.44 C ATOM 1831 O SER A 123 -13.041 -5.491 3.982 1.00 43.44 O ATOM 1832 CB SER A 123 -13.513 -3.840 1.168 1.00 64.54 C ATOM 1833 OG SER A 123 -12.905 -4.991 0.615 1.00 62.22 O ATOM 0 H SER A 123 -11.197 -4.619 2.574 1.00 22.41 H new ATOM 0 HA SER A 123 -13.262 -2.522 2.826 1.00 51.11 H new ATOM 0 HB2 SER A 123 -14.593 -3.981 1.206 1.00 64.54 H new ATOM 0 HB3 SER A 123 -13.326 -2.982 0.522 1.00 64.54 H new ATOM 0 HG SER A 123 -13.265 -5.152 -0.282 1.00 62.22 H new ATOM 1839 N ASN A 124 -14.771 -4.041 4.077 1.00 33.25 N ATOM 1840 CA ASN A 124 -15.540 -4.722 5.103 1.00 62.31 C ATOM 1841 C ASN A 124 -16.993 -4.267 4.911 1.00 54.22 C ATOM 1842 O ASN A 124 -17.229 -3.343 4.126 1.00 43.50 O ATOM 1843 CB ASN A 124 -14.963 -4.330 6.484 1.00 14.13 C ATOM 1844 CG ASN A 124 -15.580 -5.028 7.679 1.00 23.11 C ATOM 1845 OD1 ASN A 124 -16.515 -4.519 8.283 1.00 43.43 O ATOM 1846 ND2 ASN A 124 -15.038 -6.180 8.043 1.00 62.41 N ATOM 0 H ASN A 124 -15.219 -3.188 3.742 1.00 33.25 H new ATOM 0 HA ASN A 124 -15.493 -5.809 5.038 1.00 62.31 H new ATOM 0 HB2 ASN A 124 -13.892 -4.534 6.481 1.00 14.13 H new ATOM 0 HB3 ASN A 124 -15.082 -3.254 6.614 1.00 14.13 H new ATOM 0 HD21 ASN A 124 -15.399 -6.679 8.856 1.00 62.41 H new ATOM 0 HD22 ASN A 124 -14.260 -6.568 7.510 1.00 62.41 H new ATOM 1853 N GLU A 125 -17.964 -4.877 5.588 1.00 11.44 N ATOM 1854 CA GLU A 125 -19.370 -4.512 5.382 1.00 30.14 C ATOM 1855 C GLU A 125 -19.765 -3.278 6.204 1.00 53.14 C ATOM 1856 O GLU A 125 -20.876 -2.766 6.062 1.00 21.33 O ATOM 1857 CB GLU A 125 -20.329 -5.678 5.689 1.00 65.34 C ATOM 1858 CG GLU A 125 -20.212 -6.288 7.083 1.00 62.42 C ATOM 1859 CD GLU A 125 -19.236 -7.440 7.128 1.00 61.24 C ATOM 1860 OE1 GLU A 125 -19.630 -8.568 6.784 1.00 10.10 O ATOM 1861 OE2 GLU A 125 -18.063 -7.216 7.470 1.00 33.43 O ATOM 0 H GLU A 125 -17.810 -5.616 6.275 1.00 11.44 H new ATOM 0 HA GLU A 125 -19.465 -4.269 4.324 1.00 30.14 H new ATOM 0 HB2 GLU A 125 -21.352 -5.327 5.552 1.00 65.34 H new ATOM 0 HB3 GLU A 125 -20.160 -6.465 4.954 1.00 65.34 H new ATOM 0 HG2 GLU A 125 -19.895 -5.519 7.788 1.00 62.42 H new ATOM 0 HG3 GLU A 125 -21.193 -6.634 7.409 1.00 62.42 H new ATOM 1868 N ASN A 126 -18.860 -2.806 7.059 1.00 33.53 N ATOM 1869 CA ASN A 126 -19.087 -1.589 7.814 1.00 24.54 C ATOM 1870 C ASN A 126 -18.612 -0.386 6.999 1.00 52.10 C ATOM 1871 O ASN A 126 -19.393 0.516 6.693 1.00 21.04 O ATOM 1872 CB ASN A 126 -18.350 -1.636 9.155 1.00 13.43 C ATOM 1873 CG ASN A 126 -18.815 -0.561 10.112 1.00 72.31 C ATOM 1874 OD1 ASN A 126 -19.971 -0.146 10.100 1.00 51.31 O ATOM 1875 ND2 ASN A 126 -17.911 -0.105 10.948 1.00 64.10 N ATOM 0 H ASN A 126 -17.962 -3.254 7.242 1.00 33.53 H new ATOM 0 HA ASN A 126 -20.154 -1.496 8.014 1.00 24.54 H new ATOM 0 HB2 ASN A 126 -18.498 -2.614 9.613 1.00 13.43 H new ATOM 0 HB3 ASN A 126 -17.280 -1.525 8.981 1.00 13.43 H new ATOM 0 HD21 ASN A 126 -18.158 0.621 11.620 1.00 64.10 H new ATOM 0 HD22 ASN A 126 -16.961 -0.477 10.925 1.00 64.10 H new ATOM 1882 N ASP A 127 -17.331 -0.412 6.638 1.00 51.44 N ATOM 1883 CA ASP A 127 -16.689 0.675 5.914 1.00 21.12 C ATOM 1884 C ASP A 127 -15.572 0.097 5.036 1.00 31.43 C ATOM 1885 O ASP A 127 -15.217 -1.074 5.167 1.00 33.33 O ATOM 1886 CB ASP A 127 -16.133 1.694 6.938 1.00 72.13 C ATOM 1887 CG ASP A 127 -15.537 2.964 6.339 1.00 21.13 C ATOM 1888 OD1 ASP A 127 -16.302 3.816 5.845 1.00 33.15 O ATOM 1889 OD2 ASP A 127 -14.301 3.113 6.383 1.00 21.54 O ATOM 0 H ASP A 127 -16.708 -1.194 6.842 1.00 51.44 H new ATOM 0 HA ASP A 127 -17.401 1.188 5.268 1.00 21.12 H new ATOM 0 HB2 ASP A 127 -16.937 1.976 7.618 1.00 72.13 H new ATOM 0 HB3 ASP A 127 -15.367 1.201 7.537 1.00 72.13 H new ATOM 1894 N SER A 128 -15.072 0.894 4.105 1.00 62.23 N ATOM 1895 CA SER A 128 -13.860 0.562 3.375 1.00 43.21 C ATOM 1896 C SER A 128 -12.830 1.684 3.544 1.00 12.25 C ATOM 1897 O SER A 128 -13.140 2.865 3.352 1.00 53.13 O ATOM 1898 CB SER A 128 -14.174 0.298 1.894 1.00 10.11 C ATOM 1899 OG SER A 128 -15.039 1.287 1.359 1.00 61.23 O ATOM 0 H SER A 128 -15.492 1.784 3.836 1.00 62.23 H new ATOM 0 HA SER A 128 -13.434 -0.355 3.783 1.00 43.21 H new ATOM 0 HB2 SER A 128 -13.246 0.278 1.323 1.00 10.11 H new ATOM 0 HB3 SER A 128 -14.634 -0.684 1.789 1.00 10.11 H new ATOM 0 HG SER A 128 -15.217 1.090 0.416 1.00 61.23 H new ATOM 1905 N ASP A 129 -11.606 1.311 3.901 1.00 52.13 N ATOM 1906 CA ASP A 129 -10.571 2.278 4.257 1.00 43.33 C ATOM 1907 C ASP A 129 -9.352 2.078 3.365 1.00 55.34 C ATOM 1908 O ASP A 129 -9.028 0.950 3.010 1.00 65.54 O ATOM 1909 CB ASP A 129 -10.201 2.096 5.736 1.00 13.12 C ATOM 1910 CG ASP A 129 -9.312 3.194 6.293 1.00 42.34 C ATOM 1911 OD1 ASP A 129 -9.843 4.242 6.711 1.00 33.02 O ATOM 1912 OD2 ASP A 129 -8.088 3.004 6.341 1.00 55.22 O ATOM 0 H ASP A 129 -11.304 0.338 3.952 1.00 52.13 H new ATOM 0 HA ASP A 129 -10.941 3.292 4.108 1.00 43.33 H new ATOM 0 HB2 ASP A 129 -11.117 2.051 6.325 1.00 13.12 H new ATOM 0 HB3 ASP A 129 -9.696 1.138 5.858 1.00 13.12 H new ATOM 1917 N SER A 130 -8.684 3.163 2.988 1.00 53.40 N ATOM 1918 CA SER A 130 -7.520 3.070 2.121 1.00 43.32 C ATOM 1919 C SER A 130 -6.383 3.982 2.590 1.00 44.53 C ATOM 1920 O SER A 130 -6.582 5.163 2.873 1.00 52.13 O ATOM 1921 CB SER A 130 -7.909 3.391 0.672 1.00 34.11 C ATOM 1922 OG SER A 130 -8.682 4.580 0.593 1.00 1.30 O ATOM 0 H SER A 130 -8.929 4.112 3.269 1.00 53.40 H new ATOM 0 HA SER A 130 -7.153 2.045 2.171 1.00 43.32 H new ATOM 0 HB2 SER A 130 -7.008 3.500 0.068 1.00 34.11 H new ATOM 0 HB3 SER A 130 -8.475 2.559 0.253 1.00 34.11 H new ATOM 0 HG SER A 130 -8.913 4.759 -0.343 1.00 1.30 H new ATOM 1928 N ALA A 131 -5.190 3.409 2.659 1.00 61.24 N ATOM 1929 CA ALA A 131 -3.978 4.150 2.978 1.00 0.44 C ATOM 1930 C ALA A 131 -3.119 4.273 1.737 1.00 14.32 C ATOM 1931 O ALA A 131 -3.153 3.399 0.867 1.00 2.12 O ATOM 1932 CB ALA A 131 -3.195 3.462 4.083 1.00 14.24 C ATOM 0 H ALA A 131 -5.035 2.414 2.495 1.00 61.24 H new ATOM 0 HA ALA A 131 -4.260 5.143 3.329 1.00 0.44 H new ATOM 0 HB1 ALA A 131 -2.294 4.036 4.302 1.00 14.24 H new ATOM 0 HB2 ALA A 131 -3.811 3.397 4.980 1.00 14.24 H new ATOM 0 HB3 ALA A 131 -2.917 2.459 3.761 1.00 14.24 H new ATOM 1938 N SER A 132 -2.353 5.348 1.659 1.00 50.14 N ATOM 1939 CA SER A 132 -1.512 5.607 0.511 1.00 53.55 C ATOM 1940 C SER A 132 -0.311 6.445 0.927 1.00 43.23 C ATOM 1941 O SER A 132 -0.449 7.414 1.677 1.00 1.12 O ATOM 1942 CB SER A 132 -2.331 6.338 -0.558 1.00 11.51 C ATOM 1943 OG SER A 132 -1.569 6.596 -1.713 1.00 0.20 O ATOM 0 H SER A 132 -2.299 6.060 2.387 1.00 50.14 H new ATOM 0 HA SER A 132 -1.149 4.665 0.101 1.00 53.55 H new ATOM 0 HB2 SER A 132 -3.201 5.738 -0.823 1.00 11.51 H new ATOM 0 HB3 SER A 132 -2.704 7.278 -0.151 1.00 11.51 H new ATOM 0 HG SER A 132 -2.124 7.061 -2.374 1.00 0.20 H new ATOM 1949 N VAL A 133 0.862 6.088 0.431 1.00 3.11 N ATOM 1950 CA VAL A 133 2.069 6.817 0.771 1.00 34.43 C ATOM 1951 C VAL A 133 2.894 7.070 -0.493 1.00 1.53 C ATOM 1952 O VAL A 133 2.915 6.246 -1.421 1.00 33.33 O ATOM 1953 CB VAL A 133 2.893 6.094 1.895 1.00 44.51 C ATOM 1954 CG1 VAL A 133 3.505 4.781 1.430 1.00 54.41 C ATOM 1955 CG2 VAL A 133 3.961 7.009 2.485 1.00 71.15 C ATOM 0 H VAL A 133 1.002 5.303 -0.204 1.00 3.11 H new ATOM 0 HA VAL A 133 1.788 7.784 1.188 1.00 34.43 H new ATOM 0 HB VAL A 133 2.178 5.850 2.681 1.00 44.51 H new ATOM 0 HG11 VAL A 133 4.062 4.328 2.250 1.00 54.41 H new ATOM 0 HG12 VAL A 133 2.713 4.103 1.112 1.00 54.41 H new ATOM 0 HG13 VAL A 133 4.179 4.969 0.594 1.00 54.41 H new ATOM 0 HG21 VAL A 133 4.511 6.474 3.260 1.00 71.15 H new ATOM 0 HG22 VAL A 133 4.650 7.318 1.699 1.00 71.15 H new ATOM 0 HG23 VAL A 133 3.487 7.889 2.919 1.00 71.15 H new ATOM 1965 N THR A 134 3.507 8.245 -0.544 1.00 23.13 N ATOM 1966 CA THR A 134 4.345 8.642 -1.652 1.00 74.13 C ATOM 1967 C THR A 134 5.734 8.013 -1.515 1.00 33.05 C ATOM 1968 O THR A 134 6.480 8.298 -0.575 1.00 51.13 O ATOM 1969 CB THR A 134 4.440 10.184 -1.721 1.00 33.30 C ATOM 1970 OG1 THR A 134 3.116 10.747 -1.748 1.00 34.21 O ATOM 1971 CG2 THR A 134 5.213 10.643 -2.950 1.00 3.21 C ATOM 0 H THR A 134 3.432 8.949 0.190 1.00 23.13 H new ATOM 0 HA THR A 134 3.900 8.286 -2.581 1.00 74.13 H new ATOM 0 HB THR A 134 4.976 10.529 -0.837 1.00 33.30 H new ATOM 0 HG1 THR A 134 3.177 11.724 -1.790 1.00 34.21 H new ATOM 0 HG21 THR A 134 5.259 11.732 -2.965 1.00 3.21 H new ATOM 0 HG22 THR A 134 6.224 10.237 -2.916 1.00 3.21 H new ATOM 0 HG23 THR A 134 4.710 10.289 -3.850 1.00 3.21 H new ATOM 1979 N ILE A 135 6.034 7.124 -2.448 1.00 53.41 N ATOM 1980 CA ILE A 135 7.325 6.463 -2.522 1.00 41.34 C ATOM 1981 C ILE A 135 8.229 7.293 -3.417 1.00 71.42 C ATOM 1982 O ILE A 135 7.945 7.458 -4.605 1.00 62.40 O ATOM 1983 CB ILE A 135 7.209 5.024 -3.118 1.00 61.35 C ATOM 1984 CG1 ILE A 135 6.097 4.205 -2.428 1.00 72.42 C ATOM 1985 CG2 ILE A 135 8.545 4.283 -3.044 1.00 72.12 C ATOM 1986 CD1 ILE A 135 6.255 4.024 -0.929 1.00 32.42 C ATOM 0 H ILE A 135 5.383 6.839 -3.180 1.00 53.41 H new ATOM 0 HA ILE A 135 7.729 6.375 -1.513 1.00 41.34 H new ATOM 0 HB ILE A 135 6.937 5.136 -4.167 1.00 61.35 H new ATOM 0 HG12 ILE A 135 5.140 4.691 -2.619 1.00 72.42 H new ATOM 0 HG13 ILE A 135 6.053 3.220 -2.893 1.00 72.42 H new ATOM 0 HG21 ILE A 135 8.431 3.285 -3.467 1.00 72.12 H new ATOM 0 HG22 ILE A 135 9.298 4.833 -3.609 1.00 72.12 H new ATOM 0 HG23 ILE A 135 8.859 4.203 -2.003 1.00 72.12 H new ATOM 0 HD11 ILE A 135 5.422 3.435 -0.544 1.00 32.42 H new ATOM 0 HD12 ILE A 135 7.192 3.507 -0.722 1.00 32.42 H new ATOM 0 HD13 ILE A 135 6.264 5.000 -0.444 1.00 32.42 H new ATOM 1998 N ARG A 136 9.302 7.822 -2.862 1.00 23.32 N ATOM 1999 CA ARG A 136 10.218 8.616 -3.645 1.00 23.44 C ATOM 2000 C ARG A 136 11.430 7.771 -3.998 1.00 1.45 C ATOM 2001 O ARG A 136 12.271 7.487 -3.145 1.00 30.42 O ATOM 2002 CB ARG A 136 10.630 9.898 -2.901 1.00 62.31 C ATOM 2003 CG ARG A 136 11.481 10.843 -3.744 1.00 12.31 C ATOM 2004 CD ARG A 136 11.825 12.120 -2.999 1.00 23.05 C ATOM 2005 NE ARG A 136 12.523 13.084 -3.856 1.00 1.22 N ATOM 2006 CZ ARG A 136 13.394 14.006 -3.423 1.00 62.21 C ATOM 2007 NH1 ARG A 136 13.734 14.083 -2.136 1.00 63.33 N ATOM 2008 NH2 ARG A 136 13.931 14.847 -4.298 1.00 14.15 N ATOM 0 H ARG A 136 9.556 7.716 -1.880 1.00 23.32 H new ATOM 0 HA ARG A 136 9.720 8.932 -4.562 1.00 23.44 H new ATOM 0 HB2 ARG A 136 9.733 10.423 -2.574 1.00 62.31 H new ATOM 0 HB3 ARG A 136 11.185 9.625 -2.003 1.00 62.31 H new ATOM 0 HG2 ARG A 136 12.400 10.337 -4.039 1.00 12.31 H new ATOM 0 HG3 ARG A 136 10.946 11.091 -4.661 1.00 12.31 H new ATOM 0 HD2 ARG A 136 10.911 12.572 -2.614 1.00 23.05 H new ATOM 0 HD3 ARG A 136 12.450 11.881 -2.138 1.00 23.05 H new ATOM 0 HE ARG A 136 12.331 13.050 -4.857 1.00 1.22 H new ATOM 0 HH11 ARG A 136 13.329 13.433 -1.462 1.00 63.33 H new ATOM 0 HH12 ARG A 136 14.399 14.792 -1.826 1.00 63.33 H new ATOM 0 HH21 ARG A 136 13.679 14.786 -5.285 1.00 14.15 H new ATOM 0 HH22 ARG A 136 14.595 15.554 -3.984 1.00 14.15 H new ATOM 2022 N ALA A 137 11.492 7.351 -5.252 1.00 52.03 N ATOM 2023 CA ALA A 137 12.642 6.633 -5.754 1.00 44.43 C ATOM 2024 C ALA A 137 13.528 7.637 -6.463 1.00 41.32 C ATOM 2025 O ALA A 137 13.144 8.193 -7.491 1.00 34.22 O ATOM 2026 CB ALA A 137 12.226 5.495 -6.675 1.00 13.34 C ATOM 0 H ALA A 137 10.753 7.498 -5.940 1.00 52.03 H new ATOM 0 HA ALA A 137 13.189 6.168 -4.934 1.00 44.43 H new ATOM 0 HB1 ALA A 137 13.114 4.975 -7.035 1.00 13.34 H new ATOM 0 HB2 ALA A 137 11.594 4.796 -6.127 1.00 13.34 H new ATOM 0 HB3 ALA A 137 11.672 5.897 -7.523 1.00 13.34 H new ATOM 2032 N LEU A 138 14.685 7.894 -5.883 1.00 45.42 N ATOM 2033 CA LEU A 138 15.518 8.996 -6.313 1.00 53.00 C ATOM 2034 C LEU A 138 16.845 8.557 -6.898 1.00 44.21 C ATOM 2035 O LEU A 138 17.166 7.366 -6.963 1.00 45.04 O ATOM 2036 CB LEU A 138 15.724 10.015 -5.192 1.00 60.33 C ATOM 2037 CG LEU A 138 16.090 9.515 -3.794 1.00 63.34 C ATOM 2038 CD1 LEU A 138 17.529 9.015 -3.681 1.00 35.32 C ATOM 2039 CD2 LEU A 138 15.872 10.659 -2.862 1.00 70.30 C ATOM 0 H LEU A 138 15.069 7.351 -5.110 1.00 45.42 H new ATOM 0 HA LEU A 138 14.972 9.480 -7.123 1.00 53.00 H new ATOM 0 HB2 LEU A 138 16.508 10.702 -5.512 1.00 60.33 H new ATOM 0 HB3 LEU A 138 14.807 10.597 -5.104 1.00 60.33 H new ATOM 0 HG LEU A 138 15.466 8.655 -3.552 1.00 63.34 H new ATOM 0 HD11 LEU A 138 17.718 8.676 -2.662 1.00 35.32 H new ATOM 0 HD12 LEU A 138 17.682 8.187 -4.373 1.00 35.32 H new ATOM 0 HD13 LEU A 138 18.216 9.825 -3.927 1.00 35.32 H new ATOM 0 HD21 LEU A 138 16.120 10.353 -1.846 1.00 70.30 H new ATOM 0 HD22 LEU A 138 16.509 11.494 -3.155 1.00 70.30 H new ATOM 0 HD23 LEU A 138 14.827 10.968 -2.903 1.00 70.30 H new