USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 549 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 15 GLN : amide:sc= -2.4! K(o=-2.6!,f=-3.2) USER MOD Set 1.2: A 16 ASN : amide:sc= -0.164 K(o=-2.6,f=-3.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -85:sc= 0.498 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot -66:sc= 0.658 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.093 USER MOD Single : A 12 GLN : amide:sc= -4.61! C(o=-4.6!,f=-8.2!) USER MOD Single : A 22 SER OG : rot 180:sc=-0.00397 USER MOD Single : A 26 THR OG1 : rot -13:sc= 0.712 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0148 USER MOD Single : A 51 THR OG1 : rot -24:sc= 1.13 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -46:sc= 0.287 USER MOD Single : A 60 SER OG : rot -35:sc= 0.0267 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0557 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 70 ASN : amide:sc= 0.0585! X(o=0.058!,f=-0.14) USER MOD Single : A 72 SER OG : rot 160:sc= -2.16! USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0144 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.502 3.298 -8.702 1.00 5.63 N ATOM 2 CA GLY A 1 -10.591 2.385 -8.277 1.00 4.92 C ATOM 3 C GLY A 1 -10.699 2.288 -6.770 1.00 4.01 C ATOM 4 O GLY A 1 -10.109 1.404 -6.155 1.00 4.29 O ATOM 0 H1 GLY A 1 -9.465 3.334 -9.741 1.00 5.63 H new ATOM 0 H2 GLY A 1 -9.683 4.252 -8.329 1.00 5.63 H new ATOM 0 H3 GLY A 1 -8.594 2.949 -8.335 1.00 5.63 H new ATOM 0 HA2 GLY A 1 -11.538 2.737 -8.686 1.00 4.92 H new ATOM 0 HA3 GLY A 1 -10.414 1.393 -8.692 1.00 4.92 H new ATOM 10 N SER A 2 -11.456 3.195 -6.176 1.00 3.39 N ATOM 11 CA SER A 2 -11.629 3.217 -4.735 1.00 2.92 C ATOM 12 C SER A 2 -13.103 3.392 -4.398 1.00 2.13 C ATOM 13 O SER A 2 -13.654 4.484 -4.554 1.00 2.36 O ATOM 14 CB SER A 2 -10.802 4.357 -4.125 1.00 3.61 C ATOM 15 OG SER A 2 -10.885 4.371 -2.708 1.00 4.28 O ATOM 0 H SER A 2 -11.962 3.928 -6.673 1.00 3.39 H new ATOM 0 HA SER A 2 -11.281 2.273 -4.316 1.00 2.92 H new ATOM 0 HB2 SER A 2 -9.760 4.251 -4.427 1.00 3.61 H new ATOM 0 HB3 SER A 2 -11.153 5.311 -4.519 1.00 3.61 H new ATOM 0 HG SER A 2 -11.683 4.868 -2.432 1.00 4.28 H new ATOM 21 N TRP A 3 -13.742 2.317 -3.951 1.00 1.93 N ATOM 22 CA TRP A 3 -15.151 2.373 -3.601 1.00 1.69 C ATOM 23 C TRP A 3 -15.304 2.991 -2.215 1.00 1.84 C ATOM 24 O TRP A 3 -15.400 2.289 -1.207 1.00 2.71 O ATOM 25 CB TRP A 3 -15.795 0.983 -3.650 1.00 2.33 C ATOM 26 CG TRP A 3 -17.281 0.998 -3.469 1.00 2.76 C ATOM 27 CD1 TRP A 3 -17.983 0.744 -2.325 1.00 3.47 C ATOM 28 CD2 TRP A 3 -18.248 1.280 -4.479 1.00 3.17 C ATOM 29 NE1 TRP A 3 -19.332 0.857 -2.568 1.00 4.11 N ATOM 30 CE2 TRP A 3 -19.518 1.185 -3.885 1.00 3.90 C ATOM 31 CE3 TRP A 3 -18.157 1.608 -5.832 1.00 3.49 C ATOM 32 CZ2 TRP A 3 -20.690 1.405 -4.602 1.00 4.62 C ATOM 33 CZ3 TRP A 3 -19.319 1.826 -6.544 1.00 4.30 C ATOM 34 CH2 TRP A 3 -20.572 1.725 -5.927 1.00 4.74 C ATOM 0 H TRP A 3 -13.308 1.403 -3.824 1.00 1.93 H new ATOM 0 HA TRP A 3 -15.668 2.994 -4.332 1.00 1.69 H new ATOM 0 HB2 TRP A 3 -15.560 0.518 -4.607 1.00 2.33 H new ATOM 0 HB3 TRP A 3 -15.350 0.359 -2.874 1.00 2.33 H new ATOM 0 HD1 TRP A 3 -17.544 0.492 -1.371 1.00 3.47 H new ATOM 0 HE1 TRP A 3 -20.073 0.719 -1.880 1.00 4.11 H new ATOM 0 HE3 TRP A 3 -17.194 1.690 -6.314 1.00 3.49 H new ATOM 0 HZ2 TRP A 3 -21.658 1.326 -4.130 1.00 4.62 H new ATOM 0 HZ3 TRP A 3 -19.261 2.078 -7.593 1.00 4.30 H new ATOM 0 HH2 TRP A 3 -21.464 1.903 -6.509 1.00 4.74 H new ATOM 45 N GLY A 4 -15.295 4.311 -2.180 1.00 1.61 N ATOM 46 CA GLY A 4 -15.343 5.029 -0.930 1.00 2.03 C ATOM 47 C GLY A 4 -14.251 6.071 -0.864 1.00 1.82 C ATOM 48 O GLY A 4 -13.085 5.766 -1.122 1.00 1.87 O ATOM 0 H GLY A 4 -15.255 4.905 -3.008 1.00 1.61 H new ATOM 0 HA2 GLY A 4 -16.316 5.508 -0.819 1.00 2.03 H new ATOM 0 HA3 GLY A 4 -15.235 4.330 -0.100 1.00 2.03 H new ATOM 52 N GLN A 5 -14.626 7.301 -0.546 1.00 1.92 N ATOM 53 CA GLN A 5 -13.674 8.397 -0.496 1.00 1.96 C ATOM 54 C GLN A 5 -12.875 8.354 0.799 1.00 1.53 C ATOM 55 O GLN A 5 -13.437 8.429 1.894 1.00 1.64 O ATOM 56 CB GLN A 5 -14.400 9.736 -0.617 1.00 2.55 C ATOM 57 CG GLN A 5 -15.214 9.875 -1.893 1.00 3.13 C ATOM 58 CD GLN A 5 -15.746 11.281 -2.089 1.00 3.34 C ATOM 59 OE1 GLN A 5 -16.832 11.621 -1.620 1.00 3.26 O ATOM 60 NE2 GLN A 5 -14.989 12.103 -2.796 1.00 4.17 N ATOM 0 H GLN A 5 -15.585 7.564 -0.319 1.00 1.92 H new ATOM 0 HA GLN A 5 -12.985 8.291 -1.334 1.00 1.96 H new ATOM 0 HB2 GLN A 5 -15.061 9.860 0.241 1.00 2.55 H new ATOM 0 HB3 GLN A 5 -13.667 10.542 -0.574 1.00 2.55 H new ATOM 0 HG2 GLN A 5 -14.595 9.601 -2.747 1.00 3.13 H new ATOM 0 HG3 GLN A 5 -16.048 9.174 -1.867 1.00 3.13 H new ATOM 0 HE21 GLN A 5 -14.095 11.781 -3.167 1.00 4.17 H new ATOM 0 HE22 GLN A 5 -15.299 13.059 -2.970 1.00 4.17 H new ATOM 69 N CYS A 6 -11.568 8.214 0.664 1.00 1.29 N ATOM 70 CA CYS A 6 -10.679 8.199 1.812 1.00 0.94 C ATOM 71 C CYS A 6 -10.426 9.621 2.298 1.00 0.96 C ATOM 72 O CYS A 6 -10.883 10.008 3.376 1.00 1.88 O ATOM 73 CB CYS A 6 -9.358 7.515 1.443 1.00 0.81 C ATOM 74 SG CYS A 6 -8.079 7.592 2.736 1.00 0.61 S ATOM 0 H CYS A 6 -11.097 8.109 -0.235 1.00 1.29 H new ATOM 0 HA CYS A 6 -11.149 7.636 2.618 1.00 0.94 H new ATOM 0 HB2 CYS A 6 -9.558 6.469 1.210 1.00 0.81 H new ATOM 0 HB3 CYS A 6 -8.967 7.975 0.535 1.00 0.81 H new ATOM 79 N SER A 7 -9.727 10.398 1.480 1.00 0.91 N ATOM 80 CA SER A 7 -9.392 11.777 1.804 1.00 0.99 C ATOM 81 C SER A 7 -8.672 12.435 0.630 1.00 1.25 C ATOM 82 O SER A 7 -9.269 13.207 -0.121 1.00 1.82 O ATOM 83 CB SER A 7 -8.530 11.840 3.070 1.00 1.55 C ATOM 84 OG SER A 7 -7.518 10.843 3.054 1.00 2.40 O ATOM 0 H SER A 7 -9.377 10.089 0.573 1.00 0.91 H new ATOM 0 HA SER A 7 -10.316 12.323 1.995 1.00 0.99 H new ATOM 0 HB2 SER A 7 -8.072 12.826 3.152 1.00 1.55 H new ATOM 0 HB3 SER A 7 -9.161 11.707 3.949 1.00 1.55 H new ATOM 0 HG SER A 7 -7.932 9.956 3.096 1.00 2.40 H new ATOM 90 N THR A 8 -7.402 12.104 0.459 1.00 1.48 N ATOM 91 CA THR A 8 -6.607 12.672 -0.617 1.00 2.09 C ATOM 92 C THR A 8 -6.113 11.586 -1.570 1.00 1.70 C ATOM 93 O THR A 8 -5.899 11.835 -2.758 1.00 2.23 O ATOM 94 CB THR A 8 -5.399 13.446 -0.052 1.00 2.93 C ATOM 95 OG1 THR A 8 -5.821 14.287 1.032 1.00 3.15 O ATOM 96 CG2 THR A 8 -4.746 14.303 -1.126 1.00 3.75 C ATOM 0 H THR A 8 -6.899 11.444 1.053 1.00 1.48 H new ATOM 0 HA THR A 8 -7.248 13.359 -1.170 1.00 2.09 H new ATOM 0 HB THR A 8 -4.670 12.718 0.305 1.00 2.93 H new ATOM 0 HG1 THR A 8 -5.049 14.775 1.388 1.00 3.15 H new ATOM 0 HG21 THR A 8 -3.897 14.837 -0.699 1.00 3.75 H new ATOM 0 HG22 THR A 8 -4.401 13.666 -1.940 1.00 3.75 H new ATOM 0 HG23 THR A 8 -5.471 15.021 -1.509 1.00 3.75 H new ATOM 104 N GLY A 9 -5.940 10.382 -1.048 1.00 0.97 N ATOM 105 CA GLY A 9 -5.402 9.302 -1.849 1.00 0.72 C ATOM 106 C GLY A 9 -6.455 8.315 -2.313 1.00 0.71 C ATOM 107 O GLY A 9 -7.594 8.687 -2.593 1.00 1.12 O ATOM 0 H GLY A 9 -6.162 10.133 -0.084 1.00 0.97 H new ATOM 0 HA2 GLY A 9 -4.899 9.721 -2.720 1.00 0.72 H new ATOM 0 HA3 GLY A 9 -4.647 8.771 -1.270 1.00 0.72 H new ATOM 111 N SER A 10 -6.058 7.060 -2.395 1.00 0.38 N ATOM 112 CA SER A 10 -6.918 5.986 -2.862 1.00 0.39 C ATOM 113 C SER A 10 -6.903 4.859 -1.840 1.00 0.28 C ATOM 114 O SER A 10 -5.953 4.734 -1.072 1.00 0.29 O ATOM 115 CB SER A 10 -6.428 5.474 -4.219 1.00 0.52 C ATOM 116 OG SER A 10 -7.336 4.539 -4.783 1.00 0.96 O ATOM 0 H SER A 10 -5.120 6.753 -2.137 1.00 0.38 H new ATOM 0 HA SER A 10 -7.936 6.357 -2.980 1.00 0.39 H new ATOM 0 HB2 SER A 10 -6.300 6.314 -4.901 1.00 0.52 H new ATOM 0 HB3 SER A 10 -5.450 5.007 -4.101 1.00 0.52 H new ATOM 0 HG SER A 10 -6.995 4.233 -5.649 1.00 0.96 H new ATOM 122 N ILE A 11 -7.966 4.078 -1.787 1.00 0.32 N ATOM 123 CA ILE A 11 -8.016 2.955 -0.870 1.00 0.27 C ATOM 124 C ILE A 11 -7.702 1.649 -1.578 1.00 0.20 C ATOM 125 O ILE A 11 -8.208 1.366 -2.666 1.00 0.26 O ATOM 126 CB ILE A 11 -9.379 2.850 -0.172 1.00 0.39 C ATOM 127 CG1 ILE A 11 -9.624 4.117 0.628 1.00 0.50 C ATOM 128 CG2 ILE A 11 -9.439 1.628 0.735 1.00 0.40 C ATOM 129 CD1 ILE A 11 -10.909 4.091 1.409 1.00 0.96 C ATOM 0 H ILE A 11 -8.799 4.199 -2.363 1.00 0.32 H new ATOM 0 HA ILE A 11 -7.254 3.137 -0.112 1.00 0.27 H new ATOM 0 HB ILE A 11 -10.157 2.736 -0.927 1.00 0.39 H new ATOM 0 HG12 ILE A 11 -8.792 4.270 1.316 1.00 0.50 H new ATOM 0 HG13 ILE A 11 -9.637 4.970 -0.051 1.00 0.50 H new ATOM 0 HG21 ILE A 11 -10.416 1.580 1.216 1.00 0.40 H new ATOM 0 HG22 ILE A 11 -9.281 0.727 0.142 1.00 0.40 H new ATOM 0 HG23 ILE A 11 -8.663 1.702 1.497 1.00 0.40 H new ATOM 0 HD11 ILE A 11 -11.021 5.027 1.957 1.00 0.96 H new ATOM 0 HD12 ILE A 11 -11.748 3.969 0.724 1.00 0.96 H new ATOM 0 HD13 ILE A 11 -10.890 3.259 2.112 1.00 0.96 H new ATOM 141 N GLN A 12 -6.862 0.857 -0.942 1.00 0.13 N ATOM 142 CA GLN A 12 -6.471 -0.442 -1.471 1.00 0.10 C ATOM 143 C GLN A 12 -6.318 -1.464 -0.353 1.00 0.11 C ATOM 144 O GLN A 12 -6.223 -1.113 0.822 1.00 0.17 O ATOM 145 CB GLN A 12 -5.177 -0.381 -2.302 1.00 0.12 C ATOM 146 CG GLN A 12 -4.189 0.717 -1.922 1.00 0.22 C ATOM 147 CD GLN A 12 -4.400 2.021 -2.679 1.00 0.39 C ATOM 148 OE1 GLN A 12 -4.155 3.097 -2.148 1.00 0.91 O ATOM 149 NE2 GLN A 12 -4.807 1.936 -3.940 1.00 0.35 N ATOM 0 H GLN A 12 -6.431 1.091 -0.048 1.00 0.13 H new ATOM 0 HA GLN A 12 -7.275 -0.753 -2.138 1.00 0.10 H new ATOM 0 HB2 GLN A 12 -4.670 -1.343 -2.220 1.00 0.12 H new ATOM 0 HB3 GLN A 12 -5.448 -0.252 -3.350 1.00 0.12 H new ATOM 0 HG2 GLN A 12 -4.269 0.911 -0.852 1.00 0.22 H new ATOM 0 HG3 GLN A 12 -3.175 0.361 -2.106 1.00 0.22 H new ATOM 0 HE21 GLN A 12 -5.003 1.024 -4.352 1.00 0.35 H new ATOM 0 HE22 GLN A 12 -4.924 2.783 -4.496 1.00 0.35 H new ATOM 158 N CYS A 13 -6.329 -2.731 -0.735 1.00 0.12 N ATOM 159 CA CYS A 13 -6.168 -3.829 0.198 1.00 0.16 C ATOM 160 C CYS A 13 -4.787 -4.437 0.031 1.00 0.13 C ATOM 161 O CYS A 13 -4.533 -5.181 -0.918 1.00 0.15 O ATOM 162 CB CYS A 13 -7.252 -4.891 -0.028 1.00 0.25 C ATOM 163 SG CYS A 13 -6.996 -6.431 0.920 1.00 0.34 S ATOM 0 H CYS A 13 -6.450 -3.025 -1.704 1.00 0.12 H new ATOM 0 HA CYS A 13 -6.272 -3.450 1.215 1.00 0.16 H new ATOM 0 HB2 CYS A 13 -8.221 -4.469 0.240 1.00 0.25 H new ATOM 0 HB3 CYS A 13 -7.293 -5.133 -1.090 1.00 0.25 H new ATOM 168 N CYS A 14 -3.892 -4.099 0.944 1.00 0.12 N ATOM 169 CA CYS A 14 -2.511 -4.533 0.854 1.00 0.12 C ATOM 170 C CYS A 14 -2.327 -5.893 1.491 1.00 0.15 C ATOM 171 O CYS A 14 -2.812 -6.152 2.592 1.00 0.19 O ATOM 172 CB CYS A 14 -1.582 -3.528 1.529 1.00 0.14 C ATOM 173 SG CYS A 14 -1.304 -1.990 0.589 1.00 0.13 S ATOM 0 H CYS A 14 -4.100 -3.522 1.759 1.00 0.12 H new ATOM 0 HA CYS A 14 -2.257 -4.600 -0.204 1.00 0.12 H new ATOM 0 HB2 CYS A 14 -1.995 -3.271 2.504 1.00 0.14 H new ATOM 0 HB3 CYS A 14 -0.619 -4.007 1.707 1.00 0.14 H new ATOM 178 N GLN A 15 -1.626 -6.757 0.779 1.00 0.15 N ATOM 179 CA GLN A 15 -1.306 -8.077 1.272 1.00 0.16 C ATOM 180 C GLN A 15 -0.143 -7.982 2.267 1.00 0.18 C ATOM 181 O GLN A 15 -0.056 -8.763 3.209 1.00 0.23 O ATOM 182 CB GLN A 15 -1.018 -9.008 0.073 1.00 0.17 C ATOM 183 CG GLN A 15 0.406 -9.537 -0.038 1.00 0.23 C ATOM 184 CD GLN A 15 0.705 -10.661 0.943 1.00 0.31 C ATOM 185 OE1 GLN A 15 1.841 -10.828 1.382 1.00 0.38 O ATOM 186 NE2 GLN A 15 -0.310 -11.444 1.284 1.00 0.33 N ATOM 0 H GLN A 15 -1.265 -6.560 -0.155 1.00 0.15 H new ATOM 0 HA GLN A 15 -2.146 -8.510 1.816 1.00 0.16 H new ATOM 0 HB2 GLN A 15 -1.697 -9.859 0.129 1.00 0.17 H new ATOM 0 HB3 GLN A 15 -1.256 -8.470 -0.844 1.00 0.17 H new ATOM 0 HG2 GLN A 15 0.576 -9.895 -1.054 1.00 0.23 H new ATOM 0 HG3 GLN A 15 1.105 -8.719 0.133 1.00 0.23 H new ATOM 0 HE21 GLN A 15 -1.238 -11.273 0.898 1.00 0.33 H new ATOM 0 HE22 GLN A 15 -0.162 -12.217 1.932 1.00 0.33 H new ATOM 195 N ASN A 16 0.732 -7.002 2.063 1.00 0.17 N ATOM 196 CA ASN A 16 1.824 -6.733 2.988 1.00 0.21 C ATOM 197 C ASN A 16 1.946 -5.247 3.281 1.00 0.21 C ATOM 198 O ASN A 16 2.460 -4.494 2.458 1.00 0.40 O ATOM 199 CB ASN A 16 3.155 -7.218 2.422 1.00 0.29 C ATOM 200 CG ASN A 16 3.517 -8.618 2.862 1.00 0.62 C ATOM 201 OD1 ASN A 16 3.076 -9.089 3.911 1.00 1.03 O ATOM 202 ND2 ASN A 16 4.352 -9.281 2.085 1.00 0.75 N ATOM 0 H ASN A 16 0.704 -6.377 1.257 1.00 0.17 H new ATOM 0 HA ASN A 16 1.595 -7.271 3.908 1.00 0.21 H new ATOM 0 HB2 ASN A 16 3.112 -7.186 1.333 1.00 0.29 H new ATOM 0 HB3 ASN A 16 3.944 -6.532 2.730 1.00 0.29 H new ATOM 0 HD21 ASN A 16 4.655 -10.219 2.346 1.00 0.75 H new ATOM 0 HD22 ASN A 16 4.694 -8.855 1.224 1.00 0.75 H new ATOM 209 N VAL A 17 1.482 -4.821 4.445 1.00 0.16 N ATOM 210 CA VAL A 17 1.658 -3.438 4.861 1.00 0.13 C ATOM 211 C VAL A 17 2.932 -3.307 5.683 1.00 0.14 C ATOM 212 O VAL A 17 2.972 -3.668 6.864 1.00 0.18 O ATOM 213 CB VAL A 17 0.457 -2.911 5.669 1.00 0.14 C ATOM 214 CG1 VAL A 17 0.676 -1.458 6.069 1.00 0.17 C ATOM 215 CG2 VAL A 17 -0.822 -3.054 4.864 1.00 0.14 C ATOM 0 H VAL A 17 0.984 -5.408 5.115 1.00 0.16 H new ATOM 0 HA VAL A 17 1.732 -2.832 3.958 1.00 0.13 H new ATOM 0 HB VAL A 17 0.364 -3.505 6.578 1.00 0.14 H new ATOM 0 HG11 VAL A 17 -0.183 -1.104 6.639 1.00 0.17 H new ATOM 0 HG12 VAL A 17 1.574 -1.381 6.681 1.00 0.17 H new ATOM 0 HG13 VAL A 17 0.794 -0.848 5.173 1.00 0.17 H new ATOM 0 HG21 VAL A 17 -1.663 -2.678 5.447 1.00 0.14 H new ATOM 0 HG22 VAL A 17 -0.736 -2.482 3.940 1.00 0.14 H new ATOM 0 HG23 VAL A 17 -0.987 -4.105 4.626 1.00 0.14 H new ATOM 225 N VAL A 18 3.975 -2.807 5.048 1.00 0.12 N ATOM 226 CA VAL A 18 5.287 -2.727 5.666 1.00 0.13 C ATOM 227 C VAL A 18 5.888 -1.338 5.480 1.00 0.12 C ATOM 228 O VAL A 18 5.719 -0.720 4.433 1.00 0.12 O ATOM 229 CB VAL A 18 6.250 -3.783 5.067 1.00 0.13 C ATOM 230 CG1 VAL A 18 5.807 -5.193 5.436 1.00 0.18 C ATOM 231 CG2 VAL A 18 6.339 -3.640 3.552 1.00 0.13 C ATOM 0 H VAL A 18 3.939 -2.446 4.095 1.00 0.12 H new ATOM 0 HA VAL A 18 5.159 -2.926 6.730 1.00 0.13 H new ATOM 0 HB VAL A 18 7.239 -3.609 5.490 1.00 0.13 H new ATOM 0 HG11 VAL A 18 6.499 -5.916 5.004 1.00 0.18 H new ATOM 0 HG12 VAL A 18 5.800 -5.300 6.521 1.00 0.18 H new ATOM 0 HG13 VAL A 18 4.805 -5.373 5.048 1.00 0.18 H new ATOM 0 HG21 VAL A 18 7.021 -4.392 3.155 1.00 0.13 H new ATOM 0 HG22 VAL A 18 5.350 -3.779 3.115 1.00 0.13 H new ATOM 0 HG23 VAL A 18 6.710 -2.646 3.302 1.00 0.13 H new ATOM 241 N PRO A 19 6.560 -0.808 6.509 1.00 0.14 N ATOM 242 CA PRO A 19 7.304 0.446 6.391 1.00 0.15 C ATOM 243 C PRO A 19 8.364 0.361 5.296 1.00 0.12 C ATOM 244 O PRO A 19 9.036 -0.658 5.145 1.00 0.10 O ATOM 245 CB PRO A 19 7.957 0.619 7.764 1.00 0.17 C ATOM 246 CG PRO A 19 7.139 -0.216 8.690 1.00 0.19 C ATOM 247 CD PRO A 19 6.626 -1.366 7.870 1.00 0.17 C ATOM 0 HA PRO A 19 6.662 1.284 6.118 1.00 0.15 H new ATOM 0 HB2 PRO A 19 8.996 0.291 7.751 1.00 0.17 H new ATOM 0 HB3 PRO A 19 7.957 1.665 8.072 1.00 0.17 H new ATOM 0 HG2 PRO A 19 7.739 -0.572 9.527 1.00 0.19 H new ATOM 0 HG3 PRO A 19 6.315 0.361 9.110 1.00 0.19 H new ATOM 0 HD2 PRO A 19 7.294 -2.226 7.920 1.00 0.17 H new ATOM 0 HD3 PRO A 19 5.648 -1.702 8.215 1.00 0.17 H new ATOM 255 N GLY A 20 8.497 1.430 4.522 1.00 0.14 N ATOM 256 CA GLY A 20 9.456 1.448 3.433 1.00 0.13 C ATOM 257 C GLY A 20 10.889 1.370 3.918 1.00 0.14 C ATOM 258 O GLY A 20 11.785 0.979 3.169 1.00 0.18 O ATOM 0 H GLY A 20 7.956 2.288 4.629 1.00 0.14 H new ATOM 0 HA2 GLY A 20 9.257 0.611 2.764 1.00 0.13 H new ATOM 0 HA3 GLY A 20 9.322 2.360 2.851 1.00 0.13 H new ATOM 262 N ASP A 21 11.106 1.746 5.172 1.00 0.17 N ATOM 263 CA ASP A 21 12.423 1.658 5.787 1.00 0.21 C ATOM 264 C ASP A 21 12.494 0.427 6.684 1.00 0.19 C ATOM 265 O ASP A 21 13.485 0.199 7.378 1.00 0.23 O ATOM 266 CB ASP A 21 12.730 2.922 6.599 1.00 0.31 C ATOM 267 CG ASP A 21 11.989 2.965 7.922 1.00 1.23 C ATOM 268 OD1 ASP A 21 12.644 3.109 8.977 1.00 1.22 O ATOM 269 OD2 ASP A 21 10.744 2.853 7.914 1.00 2.27 O ATOM 0 H ASP A 21 10.381 2.117 5.786 1.00 0.17 H new ATOM 0 HA ASP A 21 13.169 1.570 4.998 1.00 0.21 H new ATOM 0 HB2 ASP A 21 13.802 2.976 6.786 1.00 0.31 H new ATOM 0 HB3 ASP A 21 12.464 3.800 6.010 1.00 0.31 H new ATOM 274 N SER A 22 11.430 -0.365 6.662 1.00 0.16 N ATOM 275 CA SER A 22 11.393 -1.617 7.396 1.00 0.17 C ATOM 276 C SER A 22 12.343 -2.609 6.760 1.00 0.16 C ATOM 277 O SER A 22 12.618 -2.528 5.566 1.00 0.14 O ATOM 278 CB SER A 22 9.974 -2.194 7.412 1.00 0.18 C ATOM 279 OG SER A 22 9.952 -3.526 7.896 1.00 0.24 O ATOM 0 H SER A 22 10.578 -0.158 6.140 1.00 0.16 H new ATOM 0 HA SER A 22 11.700 -1.426 8.424 1.00 0.17 H new ATOM 0 HB2 SER A 22 9.335 -1.570 8.037 1.00 0.18 H new ATOM 0 HB3 SER A 22 9.559 -2.167 6.404 1.00 0.18 H new ATOM 0 HG SER A 22 9.031 -3.860 7.893 1.00 0.24 H new ATOM 285 N ASP A 23 12.828 -3.548 7.546 1.00 0.20 N ATOM 286 CA ASP A 23 13.718 -4.578 7.035 1.00 0.22 C ATOM 287 C ASP A 23 13.051 -5.321 5.890 1.00 0.20 C ATOM 288 O ASP A 23 13.693 -5.672 4.899 1.00 0.22 O ATOM 289 CB ASP A 23 14.099 -5.553 8.145 1.00 0.29 C ATOM 290 CG ASP A 23 15.069 -4.946 9.137 1.00 0.59 C ATOM 291 OD1 ASP A 23 14.614 -4.386 10.157 1.00 1.06 O ATOM 292 OD2 ASP A 23 16.292 -5.017 8.900 1.00 0.61 O ATOM 0 H ASP A 23 12.623 -3.622 8.542 1.00 0.20 H new ATOM 0 HA ASP A 23 14.627 -4.102 6.666 1.00 0.22 H new ATOM 0 HB2 ASP A 23 13.199 -5.872 8.670 1.00 0.29 H new ATOM 0 HB3 ASP A 23 14.544 -6.445 7.705 1.00 0.29 H new ATOM 297 N LEU A 24 11.756 -5.548 6.034 1.00 0.20 N ATOM 298 CA LEU A 24 10.963 -6.134 4.965 1.00 0.21 C ATOM 299 C LEU A 24 10.793 -5.151 3.815 1.00 0.17 C ATOM 300 O LEU A 24 11.287 -5.388 2.715 1.00 0.18 O ATOM 301 CB LEU A 24 9.589 -6.567 5.478 1.00 0.26 C ATOM 302 CG LEU A 24 9.427 -8.068 5.716 1.00 0.35 C ATOM 303 CD1 LEU A 24 8.048 -8.368 6.280 1.00 1.03 C ATOM 304 CD2 LEU A 24 9.651 -8.840 4.422 1.00 1.11 C ATOM 0 H LEU A 24 11.230 -5.335 6.882 1.00 0.20 H new ATOM 0 HA LEU A 24 11.497 -7.013 4.603 1.00 0.21 H new ATOM 0 HB2 LEU A 24 9.386 -6.043 6.412 1.00 0.26 H new ATOM 0 HB3 LEU A 24 8.833 -6.245 4.761 1.00 0.26 H new ATOM 0 HG LEU A 24 10.176 -8.386 6.442 1.00 0.35 H new ATOM 0 HD11 LEU A 24 7.948 -9.441 6.444 1.00 1.03 H new ATOM 0 HD12 LEU A 24 7.920 -7.842 7.226 1.00 1.03 H new ATOM 0 HD13 LEU A 24 7.286 -8.036 5.575 1.00 1.03 H new ATOM 0 HD21 LEU A 24 9.532 -9.907 4.610 1.00 1.11 H new ATOM 0 HD22 LEU A 24 8.924 -8.519 3.676 1.00 1.11 H new ATOM 0 HD23 LEU A 24 10.658 -8.647 4.053 1.00 1.11 H new ATOM 316 N GLY A 25 10.125 -4.034 4.095 1.00 0.14 N ATOM 317 CA GLY A 25 9.797 -3.060 3.063 1.00 0.12 C ATOM 318 C GLY A 25 10.996 -2.619 2.247 1.00 0.12 C ATOM 319 O GLY A 25 10.911 -2.499 1.025 1.00 0.16 O ATOM 0 H GLY A 25 9.801 -3.783 5.029 1.00 0.14 H new ATOM 0 HA2 GLY A 25 9.050 -3.488 2.395 1.00 0.12 H new ATOM 0 HA3 GLY A 25 9.344 -2.186 3.530 1.00 0.12 H new ATOM 323 N THR A 26 12.118 -2.412 2.916 1.00 0.13 N ATOM 324 CA THR A 26 13.329 -1.957 2.257 1.00 0.16 C ATOM 325 C THR A 26 13.876 -3.042 1.339 1.00 0.20 C ATOM 326 O THR A 26 14.229 -2.776 0.192 1.00 0.24 O ATOM 327 CB THR A 26 14.397 -1.537 3.290 1.00 0.18 C ATOM 328 OG1 THR A 26 13.889 -0.473 4.105 1.00 0.20 O ATOM 329 CG2 THR A 26 15.676 -1.076 2.619 1.00 0.23 C ATOM 0 H THR A 26 12.214 -2.553 3.922 1.00 0.13 H new ATOM 0 HA THR A 26 13.078 -1.084 1.655 1.00 0.16 H new ATOM 0 HB THR A 26 14.625 -2.410 3.902 1.00 0.18 H new ATOM 0 HG1 THR A 26 13.073 -0.112 3.700 1.00 0.20 H new ATOM 0 HG21 THR A 26 16.403 -0.789 3.379 1.00 0.23 H new ATOM 0 HG22 THR A 26 16.083 -1.887 2.016 1.00 0.23 H new ATOM 0 HG23 THR A 26 15.463 -0.220 1.979 1.00 0.23 H new ATOM 337 N LEU A 27 13.900 -4.270 1.838 1.00 0.21 N ATOM 338 CA LEU A 27 14.364 -5.407 1.060 1.00 0.28 C ATOM 339 C LEU A 27 13.462 -5.641 -0.150 1.00 0.29 C ATOM 340 O LEU A 27 13.929 -6.018 -1.227 1.00 0.34 O ATOM 341 CB LEU A 27 14.400 -6.651 1.928 1.00 0.33 C ATOM 342 CG LEU A 27 15.139 -7.818 1.303 1.00 0.57 C ATOM 343 CD1 LEU A 27 16.097 -8.420 2.303 1.00 1.01 C ATOM 344 CD2 LEU A 27 14.152 -8.846 0.808 1.00 1.00 C ATOM 0 H LEU A 27 13.601 -4.504 2.785 1.00 0.21 H new ATOM 0 HA LEU A 27 15.371 -5.190 0.702 1.00 0.28 H new ATOM 0 HB2 LEU A 27 14.871 -6.404 2.880 1.00 0.33 H new ATOM 0 HB3 LEU A 27 13.377 -6.958 2.148 1.00 0.33 H new ATOM 0 HG LEU A 27 15.718 -7.464 0.450 1.00 0.57 H new ATOM 0 HD11 LEU A 27 16.623 -9.257 1.844 1.00 1.01 H new ATOM 0 HD12 LEU A 27 16.819 -7.665 2.615 1.00 1.01 H new ATOM 0 HD13 LEU A 27 15.542 -8.772 3.172 1.00 1.01 H new ATOM 0 HD21 LEU A 27 14.690 -9.681 0.360 1.00 1.00 H new ATOM 0 HD22 LEU A 27 13.553 -9.207 1.644 1.00 1.00 H new ATOM 0 HD23 LEU A 27 13.499 -8.394 0.062 1.00 1.00 H new ATOM 356 N LEU A 28 12.171 -5.397 0.029 1.00 0.27 N ATOM 357 CA LEU A 28 11.205 -5.632 -1.030 1.00 0.31 C ATOM 358 C LEU A 28 11.347 -4.581 -2.118 1.00 0.32 C ATOM 359 O LEU A 28 11.382 -4.902 -3.306 1.00 0.37 O ATOM 360 CB LEU A 28 9.774 -5.614 -0.483 1.00 0.31 C ATOM 361 CG LEU A 28 9.500 -6.531 0.713 1.00 0.31 C ATOM 362 CD1 LEU A 28 8.006 -6.660 0.950 1.00 0.34 C ATOM 363 CD2 LEU A 28 10.136 -7.896 0.515 1.00 0.37 C ATOM 0 H LEU A 28 11.771 -5.037 0.896 1.00 0.27 H new ATOM 0 HA LEU A 28 11.405 -6.617 -1.451 1.00 0.31 H new ATOM 0 HB2 LEU A 28 9.529 -4.592 -0.195 1.00 0.31 H new ATOM 0 HB3 LEU A 28 9.095 -5.889 -1.290 1.00 0.31 H new ATOM 0 HG LEU A 28 9.952 -6.080 1.597 1.00 0.31 H new ATOM 0 HD11 LEU A 28 7.828 -7.315 1.803 1.00 0.34 H new ATOM 0 HD12 LEU A 28 7.584 -5.676 1.154 1.00 0.34 H new ATOM 0 HD13 LEU A 28 7.532 -7.082 0.064 1.00 0.34 H new ATOM 0 HD21 LEU A 28 9.925 -8.525 1.380 1.00 0.37 H new ATOM 0 HD22 LEU A 28 9.726 -8.362 -0.381 1.00 0.37 H new ATOM 0 HD23 LEU A 28 11.214 -7.782 0.404 1.00 0.37 H new ATOM 375 N LEU A 29 11.449 -3.324 -1.716 1.00 0.30 N ATOM 376 CA LEU A 29 11.548 -2.243 -2.680 1.00 0.32 C ATOM 377 C LEU A 29 12.936 -2.196 -3.304 1.00 0.36 C ATOM 378 O LEU A 29 13.120 -1.642 -4.381 1.00 0.41 O ATOM 379 CB LEU A 29 11.169 -0.900 -2.037 1.00 0.30 C ATOM 380 CG LEU A 29 12.106 -0.321 -0.975 1.00 0.29 C ATOM 381 CD1 LEU A 29 13.295 0.380 -1.614 1.00 0.31 C ATOM 382 CD2 LEU A 29 11.338 0.655 -0.103 1.00 0.31 C ATOM 0 H LEU A 29 11.465 -3.030 -0.739 1.00 0.30 H new ATOM 0 HA LEU A 29 10.836 -2.434 -3.483 1.00 0.32 H new ATOM 0 HB2 LEU A 29 11.073 -0.163 -2.835 1.00 0.30 H new ATOM 0 HB3 LEU A 29 10.183 -1.012 -1.586 1.00 0.30 H new ATOM 0 HG LEU A 29 12.486 -1.141 -0.365 1.00 0.29 H new ATOM 0 HD11 LEU A 29 13.943 0.781 -0.835 1.00 0.31 H new ATOM 0 HD12 LEU A 29 13.855 -0.332 -2.220 1.00 0.31 H new ATOM 0 HD13 LEU A 29 12.941 1.194 -2.246 1.00 0.31 H new ATOM 0 HD21 LEU A 29 12.004 1.068 0.654 1.00 0.31 H new ATOM 0 HD22 LEU A 29 10.945 1.463 -0.720 1.00 0.31 H new ATOM 0 HD23 LEU A 29 10.513 0.136 0.384 1.00 0.31 H new ATOM 394 N ASP A 30 13.906 -2.772 -2.613 1.00 0.34 N ATOM 395 CA ASP A 30 15.255 -2.933 -3.152 1.00 0.39 C ATOM 396 C ASP A 30 15.226 -3.897 -4.327 1.00 0.43 C ATOM 397 O ASP A 30 15.989 -3.772 -5.286 1.00 0.49 O ATOM 398 CB ASP A 30 16.192 -3.463 -2.068 1.00 0.41 C ATOM 399 CG ASP A 30 17.637 -3.534 -2.518 1.00 0.54 C ATOM 400 OD1 ASP A 30 18.162 -4.655 -2.681 1.00 0.66 O ATOM 401 OD2 ASP A 30 18.250 -2.466 -2.726 1.00 0.63 O ATOM 0 H ASP A 30 13.787 -3.140 -1.669 1.00 0.34 H new ATOM 0 HA ASP A 30 15.621 -1.964 -3.492 1.00 0.39 H new ATOM 0 HB2 ASP A 30 16.122 -2.822 -1.189 1.00 0.41 H new ATOM 0 HB3 ASP A 30 15.862 -4.457 -1.764 1.00 0.41 H new ATOM 406 N GLU A 31 14.315 -4.851 -4.242 1.00 0.43 N ATOM 407 CA GLU A 31 14.096 -5.821 -5.287 1.00 0.49 C ATOM 408 C GLU A 31 13.300 -5.174 -6.415 1.00 0.51 C ATOM 409 O GLU A 31 13.662 -5.250 -7.589 1.00 0.62 O ATOM 410 CB GLU A 31 13.330 -7.010 -4.689 1.00 0.52 C ATOM 411 CG GLU A 31 12.667 -7.907 -5.715 1.00 0.97 C ATOM 412 CD GLU A 31 13.646 -8.603 -6.638 1.00 1.46 C ATOM 413 OE1 GLU A 31 13.827 -8.139 -7.780 1.00 1.76 O ATOM 414 OE2 GLU A 31 14.254 -9.606 -6.217 1.00 2.07 O ATOM 0 H GLU A 31 13.703 -4.970 -3.435 1.00 0.43 H new ATOM 0 HA GLU A 31 15.044 -6.173 -5.695 1.00 0.49 H new ATOM 0 HB2 GLU A 31 14.019 -7.608 -4.093 1.00 0.52 H new ATOM 0 HB3 GLU A 31 12.567 -6.630 -4.009 1.00 0.52 H new ATOM 0 HG2 GLU A 31 12.072 -8.659 -5.197 1.00 0.97 H new ATOM 0 HG3 GLU A 31 11.977 -7.312 -6.313 1.00 0.97 H new ATOM 421 N LEU A 32 12.238 -4.495 -6.022 1.00 0.52 N ATOM 422 CA LEU A 32 11.292 -3.908 -6.956 1.00 0.58 C ATOM 423 C LEU A 32 11.799 -2.602 -7.576 1.00 0.61 C ATOM 424 O LEU A 32 11.232 -2.107 -8.550 1.00 0.71 O ATOM 425 CB LEU A 32 9.971 -3.676 -6.228 1.00 0.56 C ATOM 426 CG LEU A 32 9.194 -4.947 -5.877 1.00 0.57 C ATOM 427 CD1 LEU A 32 7.923 -4.604 -5.118 1.00 0.57 C ATOM 428 CD2 LEU A 32 8.867 -5.740 -7.134 1.00 0.64 C ATOM 0 H LEU A 32 12.005 -4.334 -5.042 1.00 0.52 H new ATOM 0 HA LEU A 32 11.157 -4.604 -7.784 1.00 0.58 H new ATOM 0 HB2 LEU A 32 10.172 -3.125 -5.309 1.00 0.56 H new ATOM 0 HB3 LEU A 32 9.338 -3.041 -6.848 1.00 0.56 H new ATOM 0 HG LEU A 32 9.822 -5.565 -5.235 1.00 0.57 H new ATOM 0 HD11 LEU A 32 7.384 -5.521 -4.877 1.00 0.57 H new ATOM 0 HD12 LEU A 32 8.179 -4.081 -4.197 1.00 0.57 H new ATOM 0 HD13 LEU A 32 7.292 -3.964 -5.735 1.00 0.57 H new ATOM 0 HD21 LEU A 32 8.315 -6.640 -6.863 1.00 0.64 H new ATOM 0 HD22 LEU A 32 8.260 -5.129 -7.802 1.00 0.64 H new ATOM 0 HD23 LEU A 32 9.792 -6.020 -7.638 1.00 0.64 H new ATOM 440 N GLY A 33 12.866 -2.053 -6.997 1.00 0.57 N ATOM 441 CA GLY A 33 13.464 -0.829 -7.511 1.00 0.62 C ATOM 442 C GLY A 33 12.558 0.375 -7.340 1.00 0.63 C ATOM 443 O GLY A 33 12.519 1.256 -8.198 1.00 0.75 O ATOM 0 H GLY A 33 13.330 -2.438 -6.174 1.00 0.57 H new ATOM 0 HA2 GLY A 33 14.408 -0.646 -6.997 1.00 0.62 H new ATOM 0 HA3 GLY A 33 13.696 -0.958 -8.568 1.00 0.62 H new ATOM 447 N ILE A 34 11.850 0.421 -6.219 1.00 0.54 N ATOM 448 CA ILE A 34 10.835 1.445 -5.993 1.00 0.58 C ATOM 449 C ILE A 34 11.460 2.795 -5.660 1.00 0.65 C ATOM 450 O ILE A 34 12.421 2.880 -4.892 1.00 0.68 O ATOM 451 CB ILE A 34 9.873 1.045 -4.855 1.00 0.51 C ATOM 452 CG1 ILE A 34 9.274 -0.336 -5.136 1.00 0.55 C ATOM 453 CG2 ILE A 34 8.768 2.081 -4.703 1.00 0.58 C ATOM 454 CD1 ILE A 34 8.359 -0.844 -4.043 1.00 0.56 C ATOM 0 H ILE A 34 11.959 -0.240 -5.450 1.00 0.54 H new ATOM 0 HA ILE A 34 10.275 1.533 -6.924 1.00 0.58 H new ATOM 0 HB ILE A 34 10.434 1.002 -3.921 1.00 0.51 H new ATOM 0 HG12 ILE A 34 8.717 -0.296 -6.072 1.00 0.55 H new ATOM 0 HG13 ILE A 34 10.085 -1.050 -5.278 1.00 0.55 H new ATOM 0 HG21 ILE A 34 8.099 1.783 -3.896 1.00 0.58 H new ATOM 0 HG22 ILE A 34 9.208 3.051 -4.470 1.00 0.58 H new ATOM 0 HG23 ILE A 34 8.205 2.152 -5.634 1.00 0.58 H new ATOM 0 HD11 ILE A 34 7.976 -1.827 -4.317 1.00 0.56 H new ATOM 0 HD12 ILE A 34 8.915 -0.919 -3.109 1.00 0.56 H new ATOM 0 HD13 ILE A 34 7.526 -0.153 -3.915 1.00 0.56 H new ATOM 466 N VAL A 35 10.909 3.844 -6.251 1.00 0.77 N ATOM 467 CA VAL A 35 11.331 5.200 -5.959 1.00 0.89 C ATOM 468 C VAL A 35 10.547 5.769 -4.773 1.00 0.74 C ATOM 469 O VAL A 35 9.329 5.956 -4.837 1.00 0.90 O ATOM 470 CB VAL A 35 11.180 6.118 -7.197 1.00 1.24 C ATOM 471 CG1 VAL A 35 9.780 6.031 -7.791 1.00 1.84 C ATOM 472 CG2 VAL A 35 11.520 7.555 -6.837 1.00 1.87 C ATOM 0 H VAL A 35 10.162 3.778 -6.942 1.00 0.77 H new ATOM 0 HA VAL A 35 12.388 5.166 -5.693 1.00 0.89 H new ATOM 0 HB VAL A 35 11.882 5.771 -7.956 1.00 1.24 H new ATOM 0 HG11 VAL A 35 9.711 6.688 -8.658 1.00 1.84 H new ATOM 0 HG12 VAL A 35 9.578 5.005 -8.097 1.00 1.84 H new ATOM 0 HG13 VAL A 35 9.048 6.338 -7.044 1.00 1.84 H new ATOM 0 HG21 VAL A 35 11.409 8.187 -7.718 1.00 1.87 H new ATOM 0 HG22 VAL A 35 10.847 7.903 -6.054 1.00 1.87 H new ATOM 0 HG23 VAL A 35 12.549 7.607 -6.481 1.00 1.87 H new ATOM 482 N LEU A 36 11.247 6.010 -3.676 1.00 0.70 N ATOM 483 CA LEU A 36 10.636 6.598 -2.497 1.00 0.66 C ATOM 484 C LEU A 36 10.996 8.072 -2.380 1.00 0.68 C ATOM 485 O LEU A 36 12.145 8.463 -2.583 1.00 0.84 O ATOM 486 CB LEU A 36 11.070 5.842 -1.232 1.00 0.86 C ATOM 487 CG LEU A 36 12.555 5.476 -1.163 1.00 1.90 C ATOM 488 CD1 LEU A 36 13.349 6.558 -0.453 1.00 2.62 C ATOM 489 CD2 LEU A 36 12.741 4.131 -0.487 1.00 2.76 C ATOM 0 H LEU A 36 12.242 5.806 -3.579 1.00 0.70 H new ATOM 0 HA LEU A 36 9.554 6.516 -2.599 1.00 0.66 H new ATOM 0 HB2 LEU A 36 10.822 6.451 -0.362 1.00 0.86 H new ATOM 0 HB3 LEU A 36 10.484 4.926 -1.157 1.00 0.86 H new ATOM 0 HG LEU A 36 12.936 5.400 -2.182 1.00 1.90 H new ATOM 0 HD11 LEU A 36 14.401 6.274 -0.417 1.00 2.62 H new ATOM 0 HD12 LEU A 36 13.246 7.499 -0.993 1.00 2.62 H new ATOM 0 HD13 LEU A 36 12.971 6.679 0.562 1.00 2.62 H new ATOM 0 HD21 LEU A 36 13.803 3.888 -0.447 1.00 2.76 H new ATOM 0 HD22 LEU A 36 12.340 4.174 0.526 1.00 2.76 H new ATOM 0 HD23 LEU A 36 12.214 3.363 -1.053 1.00 2.76 H new ATOM 501 N GLU A 37 9.997 8.885 -2.091 1.00 0.72 N ATOM 502 CA GLU A 37 10.218 10.280 -1.762 1.00 0.84 C ATOM 503 C GLU A 37 10.409 10.384 -0.255 1.00 0.76 C ATOM 504 O GLU A 37 11.166 11.213 0.247 1.00 0.88 O ATOM 505 CB GLU A 37 9.034 11.133 -2.224 1.00 1.02 C ATOM 506 CG GLU A 37 9.221 12.619 -1.982 1.00 1.42 C ATOM 507 CD GLU A 37 8.046 13.440 -2.462 1.00 2.06 C ATOM 508 OE1 GLU A 37 7.078 13.607 -1.690 1.00 2.65 O ATOM 509 OE2 GLU A 37 8.081 13.919 -3.616 1.00 2.58 O ATOM 0 H GLU A 37 9.018 8.600 -2.078 1.00 0.72 H new ATOM 0 HA GLU A 37 11.106 10.653 -2.273 1.00 0.84 H new ATOM 0 HB2 GLU A 37 8.870 10.965 -3.288 1.00 1.02 H new ATOM 0 HB3 GLU A 37 8.134 10.800 -1.707 1.00 1.02 H new ATOM 0 HG2 GLU A 37 9.370 12.794 -0.916 1.00 1.42 H new ATOM 0 HG3 GLU A 37 10.125 12.955 -2.490 1.00 1.42 H new ATOM 516 N ASP A 38 9.723 9.497 0.450 1.00 0.61 N ATOM 517 CA ASP A 38 9.853 9.360 1.884 1.00 0.54 C ATOM 518 C ASP A 38 9.829 7.884 2.223 1.00 0.41 C ATOM 519 O ASP A 38 8.783 7.245 2.145 1.00 0.39 O ATOM 520 CB ASP A 38 8.718 10.079 2.623 1.00 0.60 C ATOM 521 CG ASP A 38 8.980 11.557 2.822 1.00 1.20 C ATOM 522 OD1 ASP A 38 9.714 11.921 3.767 1.00 1.20 O ATOM 523 OD2 ASP A 38 8.468 12.363 2.017 1.00 2.29 O ATOM 0 H ASP A 38 9.055 8.848 0.034 1.00 0.61 H new ATOM 0 HA ASP A 38 10.791 9.816 2.201 1.00 0.54 H new ATOM 0 HB2 ASP A 38 7.791 9.953 2.063 1.00 0.60 H new ATOM 0 HB3 ASP A 38 8.570 9.608 3.595 1.00 0.60 H new ATOM 528 N PRO A 39 10.979 7.309 2.587 1.00 0.41 N ATOM 529 CA PRO A 39 11.071 5.881 2.893 1.00 0.40 C ATOM 530 C PRO A 39 10.396 5.554 4.218 1.00 0.32 C ATOM 531 O PRO A 39 10.302 4.399 4.618 1.00 0.35 O ATOM 532 CB PRO A 39 12.578 5.631 2.980 1.00 0.57 C ATOM 533 CG PRO A 39 13.160 6.948 3.361 1.00 0.64 C ATOM 534 CD PRO A 39 12.276 7.996 2.740 1.00 0.57 C ATOM 0 HA PRO A 39 10.574 5.260 2.147 1.00 0.40 H new ATOM 0 HB2 PRO A 39 12.810 4.866 3.721 1.00 0.57 H new ATOM 0 HB3 PRO A 39 12.977 5.283 2.027 1.00 0.57 H new ATOM 0 HG2 PRO A 39 13.193 7.060 4.445 1.00 0.64 H new ATOM 0 HG3 PRO A 39 14.184 7.040 3.000 1.00 0.64 H new ATOM 0 HD2 PRO A 39 12.191 8.877 3.376 1.00 0.57 H new ATOM 0 HD3 PRO A 39 12.667 8.333 1.780 1.00 0.57 H new ATOM 542 N THR A 40 9.897 6.589 4.873 1.00 0.30 N ATOM 543 CA THR A 40 9.300 6.455 6.189 1.00 0.31 C ATOM 544 C THR A 40 7.787 6.293 6.093 1.00 0.28 C ATOM 545 O THR A 40 7.057 6.542 7.053 1.00 0.48 O ATOM 546 CB THR A 40 9.639 7.675 7.061 1.00 0.42 C ATOM 547 OG1 THR A 40 9.460 8.880 6.302 1.00 0.51 O ATOM 548 CG2 THR A 40 11.070 7.595 7.567 1.00 0.49 C ATOM 0 H THR A 40 9.895 7.542 4.508 1.00 0.30 H new ATOM 0 HA THR A 40 9.714 5.559 6.652 1.00 0.31 H new ATOM 0 HB THR A 40 8.968 7.682 7.920 1.00 0.42 H new ATOM 0 HG1 THR A 40 9.676 9.655 6.862 1.00 0.51 H new ATOM 0 HG21 THR A 40 11.288 8.468 8.182 1.00 0.49 H new ATOM 0 HG22 THR A 40 11.195 6.691 8.163 1.00 0.49 H new ATOM 0 HG23 THR A 40 11.755 7.568 6.719 1.00 0.49 H new ATOM 556 N VAL A 41 7.324 5.888 4.921 1.00 0.20 N ATOM 557 CA VAL A 41 5.907 5.657 4.701 1.00 0.17 C ATOM 558 C VAL A 41 5.620 4.165 4.646 1.00 0.14 C ATOM 559 O VAL A 41 6.526 3.353 4.442 1.00 0.15 O ATOM 560 CB VAL A 41 5.413 6.314 3.393 1.00 0.20 C ATOM 561 CG1 VAL A 41 5.692 7.806 3.411 1.00 0.24 C ATOM 562 CG2 VAL A 41 6.051 5.660 2.174 1.00 0.23 C ATOM 0 H VAL A 41 7.912 5.712 4.106 1.00 0.20 H new ATOM 0 HA VAL A 41 5.374 6.110 5.536 1.00 0.17 H new ATOM 0 HB VAL A 41 4.336 6.164 3.325 1.00 0.20 H new ATOM 0 HG11 VAL A 41 5.338 8.254 2.482 1.00 0.24 H new ATOM 0 HG12 VAL A 41 5.174 8.263 4.254 1.00 0.24 H new ATOM 0 HG13 VAL A 41 6.764 7.974 3.509 1.00 0.24 H new ATOM 0 HG21 VAL A 41 5.684 6.143 1.268 1.00 0.23 H new ATOM 0 HG22 VAL A 41 7.134 5.767 2.229 1.00 0.23 H new ATOM 0 HG23 VAL A 41 5.791 4.602 2.151 1.00 0.23 H new ATOM 572 N LEU A 42 4.365 3.809 4.844 1.00 0.14 N ATOM 573 CA LEU A 42 3.945 2.426 4.732 1.00 0.14 C ATOM 574 C LEU A 42 3.725 2.061 3.278 1.00 0.12 C ATOM 575 O LEU A 42 2.900 2.674 2.592 1.00 0.15 O ATOM 576 CB LEU A 42 2.661 2.181 5.528 1.00 0.16 C ATOM 577 CG LEU A 42 2.802 2.282 7.046 1.00 0.17 C ATOM 578 CD1 LEU A 42 1.442 2.165 7.718 1.00 0.20 C ATOM 579 CD2 LEU A 42 3.739 1.204 7.561 1.00 0.22 C ATOM 0 H LEU A 42 3.617 4.460 5.084 1.00 0.14 H new ATOM 0 HA LEU A 42 4.734 1.797 5.144 1.00 0.14 H new ATOM 0 HB2 LEU A 42 1.909 2.899 5.201 1.00 0.16 H new ATOM 0 HB3 LEU A 42 2.284 1.189 5.280 1.00 0.16 H new ATOM 0 HG LEU A 42 3.224 3.257 7.289 1.00 0.17 H new ATOM 0 HD11 LEU A 42 1.563 2.239 8.799 1.00 0.20 H new ATOM 0 HD12 LEU A 42 0.793 2.969 7.369 1.00 0.20 H new ATOM 0 HD13 LEU A 42 0.994 1.203 7.468 1.00 0.20 H new ATOM 0 HD21 LEU A 42 3.830 1.288 8.644 1.00 0.22 H new ATOM 0 HD22 LEU A 42 3.340 0.222 7.305 1.00 0.22 H new ATOM 0 HD23 LEU A 42 4.721 1.327 7.104 1.00 0.22 H new ATOM 591 N ILE A 43 4.476 1.081 2.810 1.00 0.11 N ATOM 592 CA ILE A 43 4.292 0.564 1.471 1.00 0.10 C ATOM 593 C ILE A 43 3.576 -0.772 1.533 1.00 0.11 C ATOM 594 O ILE A 43 3.864 -1.612 2.387 1.00 0.15 O ATOM 595 CB ILE A 43 5.616 0.422 0.684 1.00 0.11 C ATOM 596 CG1 ILE A 43 6.680 -0.314 1.503 1.00 0.11 C ATOM 597 CG2 ILE A 43 6.122 1.793 0.263 1.00 0.13 C ATOM 598 CD1 ILE A 43 7.929 -0.641 0.711 1.00 0.14 C ATOM 0 H ILE A 43 5.220 0.628 3.340 1.00 0.11 H new ATOM 0 HA ILE A 43 3.687 1.292 0.930 1.00 0.10 H new ATOM 0 HB ILE A 43 5.417 -0.174 -0.207 1.00 0.11 H new ATOM 0 HG12 ILE A 43 6.954 0.298 2.363 1.00 0.11 H new ATOM 0 HG13 ILE A 43 6.253 -1.238 1.892 1.00 0.11 H new ATOM 0 HG21 ILE A 43 7.055 1.682 -0.290 1.00 0.13 H new ATOM 0 HG22 ILE A 43 5.379 2.276 -0.371 1.00 0.13 H new ATOM 0 HG23 ILE A 43 6.296 2.404 1.149 1.00 0.13 H new ATOM 0 HD11 ILE A 43 8.640 -1.162 1.352 1.00 0.14 H new ATOM 0 HD12 ILE A 43 7.668 -1.278 -0.134 1.00 0.14 H new ATOM 0 HD13 ILE A 43 8.379 0.281 0.344 1.00 0.14 H new ATOM 610 N GLY A 44 2.626 -0.953 0.643 1.00 0.13 N ATOM 611 CA GLY A 44 1.803 -2.132 0.682 1.00 0.16 C ATOM 612 C GLY A 44 2.006 -3.033 -0.509 1.00 0.17 C ATOM 613 O GLY A 44 1.569 -2.720 -1.613 1.00 0.31 O ATOM 0 H GLY A 44 2.408 -0.301 -0.111 1.00 0.13 H new ATOM 0 HA2 GLY A 44 2.020 -2.689 1.593 1.00 0.16 H new ATOM 0 HA3 GLY A 44 0.755 -1.835 0.732 1.00 0.16 H new ATOM 617 N ASP A 45 2.670 -4.152 -0.293 1.00 0.18 N ATOM 618 CA ASP A 45 2.829 -5.143 -1.344 1.00 0.20 C ATOM 619 C ASP A 45 1.538 -5.920 -1.484 1.00 0.20 C ATOM 620 O ASP A 45 0.846 -6.152 -0.494 1.00 0.29 O ATOM 621 CB ASP A 45 3.964 -6.116 -1.032 1.00 0.32 C ATOM 622 CG ASP A 45 4.352 -6.947 -2.238 1.00 0.30 C ATOM 623 OD1 ASP A 45 4.533 -6.367 -3.331 1.00 0.42 O ATOM 624 OD2 ASP A 45 4.505 -8.174 -2.098 1.00 0.57 O ATOM 0 H ASP A 45 3.107 -4.399 0.595 1.00 0.18 H new ATOM 0 HA ASP A 45 3.072 -4.623 -2.271 1.00 0.20 H new ATOM 0 HB2 ASP A 45 4.833 -5.558 -0.682 1.00 0.32 H new ATOM 0 HB3 ASP A 45 3.661 -6.777 -0.220 1.00 0.32 H new ATOM 629 N GLY A 46 1.204 -6.307 -2.697 1.00 0.18 N ATOM 630 CA GLY A 46 0.009 -7.099 -2.898 1.00 0.21 C ATOM 631 C GLY A 46 -1.255 -6.300 -2.657 1.00 0.18 C ATOM 632 O GLY A 46 -2.231 -6.813 -2.113 1.00 0.18 O ATOM 0 H GLY A 46 1.731 -6.092 -3.543 1.00 0.18 H new ATOM 0 HA2 GLY A 46 0.001 -7.490 -3.916 1.00 0.21 H new ATOM 0 HA3 GLY A 46 0.027 -7.958 -2.227 1.00 0.21 H new ATOM 636 N CYS A 47 -1.235 -5.040 -3.053 1.00 0.17 N ATOM 637 CA CYS A 47 -2.320 -4.131 -2.740 1.00 0.15 C ATOM 638 C CYS A 47 -3.238 -3.942 -3.931 1.00 0.19 C ATOM 639 O CYS A 47 -2.842 -3.407 -4.968 1.00 0.25 O ATOM 640 CB CYS A 47 -1.766 -2.787 -2.293 1.00 0.15 C ATOM 641 SG CYS A 47 -2.670 -2.041 -0.904 1.00 0.12 S ATOM 0 H CYS A 47 -0.477 -4.623 -3.593 1.00 0.17 H new ATOM 0 HA CYS A 47 -2.901 -4.568 -1.928 1.00 0.15 H new ATOM 0 HB2 CYS A 47 -0.721 -2.913 -2.008 1.00 0.15 H new ATOM 0 HB3 CYS A 47 -1.785 -2.098 -3.138 1.00 0.15 H new ATOM 646 N ASP A 48 -4.465 -4.401 -3.778 1.00 0.19 N ATOM 647 CA ASP A 48 -5.467 -4.240 -4.814 1.00 0.24 C ATOM 648 C ASP A 48 -6.401 -3.094 -4.451 1.00 0.21 C ATOM 649 O ASP A 48 -6.875 -3.006 -3.321 1.00 0.19 O ATOM 650 CB ASP A 48 -6.252 -5.541 -5.024 1.00 0.30 C ATOM 651 CG ASP A 48 -7.422 -5.718 -4.075 1.00 1.50 C ATOM 652 OD1 ASP A 48 -8.574 -5.485 -4.492 1.00 2.21 O ATOM 653 OD2 ASP A 48 -7.186 -6.062 -2.896 1.00 2.02 O ATOM 0 H ASP A 48 -4.793 -4.889 -2.945 1.00 0.19 H new ATOM 0 HA ASP A 48 -4.967 -4.002 -5.753 1.00 0.24 H new ATOM 0 HB2 ASP A 48 -6.622 -5.568 -6.049 1.00 0.30 H new ATOM 0 HB3 ASP A 48 -5.573 -6.385 -4.908 1.00 0.30 H new ATOM 658 N PRO A 49 -6.640 -2.177 -5.392 1.00 0.26 N ATOM 659 CA PRO A 49 -7.556 -1.060 -5.182 1.00 0.28 C ATOM 660 C PRO A 49 -8.945 -1.555 -4.788 1.00 0.31 C ATOM 661 O PRO A 49 -9.577 -2.307 -5.534 1.00 0.37 O ATOM 662 CB PRO A 49 -7.599 -0.355 -6.541 1.00 0.35 C ATOM 663 CG PRO A 49 -6.402 -0.831 -7.291 1.00 0.44 C ATOM 664 CD PRO A 49 -6.037 -2.173 -6.729 1.00 0.34 C ATOM 0 HA PRO A 49 -7.232 -0.403 -4.375 1.00 0.28 H new ATOM 0 HB2 PRO A 49 -8.517 -0.597 -7.077 1.00 0.35 H new ATOM 0 HB3 PRO A 49 -7.578 0.728 -6.419 1.00 0.35 H new ATOM 0 HG2 PRO A 49 -6.619 -0.905 -8.357 1.00 0.44 H new ATOM 0 HG3 PRO A 49 -5.575 -0.130 -7.182 1.00 0.44 H new ATOM 0 HD2 PRO A 49 -6.428 -2.983 -7.345 1.00 0.34 H new ATOM 0 HD3 PRO A 49 -4.956 -2.304 -6.679 1.00 0.34 H new ATOM 672 N ILE A 50 -9.415 -1.149 -3.616 1.00 0.30 N ATOM 673 CA ILE A 50 -10.677 -1.656 -3.101 1.00 0.36 C ATOM 674 C ILE A 50 -11.845 -0.933 -3.745 1.00 0.43 C ATOM 675 O ILE A 50 -12.166 0.199 -3.390 1.00 0.46 O ATOM 676 CB ILE A 50 -10.791 -1.525 -1.570 1.00 0.36 C ATOM 677 CG1 ILE A 50 -9.594 -2.175 -0.882 1.00 0.29 C ATOM 678 CG2 ILE A 50 -12.071 -2.182 -1.090 1.00 0.44 C ATOM 679 CD1 ILE A 50 -9.645 -2.097 0.632 1.00 0.31 C ATOM 0 H ILE A 50 -8.946 -0.476 -3.010 1.00 0.30 H new ATOM 0 HA ILE A 50 -10.705 -2.716 -3.352 1.00 0.36 H new ATOM 0 HB ILE A 50 -10.807 -0.465 -1.316 1.00 0.36 H new ATOM 0 HG12 ILE A 50 -9.538 -3.222 -1.181 1.00 0.29 H new ATOM 0 HG13 ILE A 50 -8.680 -1.694 -1.231 1.00 0.29 H new ATOM 0 HG21 ILE A 50 -12.145 -2.086 -0.007 1.00 0.44 H new ATOM 0 HG22 ILE A 50 -12.927 -1.695 -1.557 1.00 0.44 H new ATOM 0 HG23 ILE A 50 -12.062 -3.238 -1.361 1.00 0.44 H new ATOM 0 HD11 ILE A 50 -8.762 -2.579 1.051 1.00 0.31 H new ATOM 0 HD12 ILE A 50 -9.669 -1.052 0.942 1.00 0.31 H new ATOM 0 HD13 ILE A 50 -10.540 -2.603 0.992 1.00 0.31 H new ATOM 691 N THR A 51 -12.464 -1.588 -4.705 1.00 0.54 N ATOM 692 CA THR A 51 -13.630 -1.040 -5.369 1.00 0.64 C ATOM 693 C THR A 51 -14.666 -2.140 -5.598 1.00 0.79 C ATOM 694 O THR A 51 -15.584 -2.017 -6.409 1.00 0.88 O ATOM 695 CB THR A 51 -13.236 -0.342 -6.691 1.00 0.66 C ATOM 696 OG1 THR A 51 -14.389 0.099 -7.422 1.00 0.78 O ATOM 697 CG2 THR A 51 -12.392 -1.263 -7.562 1.00 0.70 C ATOM 0 H THR A 51 -12.178 -2.506 -5.045 1.00 0.54 H new ATOM 0 HA THR A 51 -14.078 -0.281 -4.727 1.00 0.64 H new ATOM 0 HB THR A 51 -12.645 0.535 -6.426 1.00 0.66 H new ATOM 0 HG1 THR A 51 -15.167 -0.436 -7.160 1.00 0.78 H new ATOM 0 HG21 THR A 51 -12.128 -0.749 -8.486 1.00 0.70 H new ATOM 0 HG22 THR A 51 -11.483 -1.538 -7.027 1.00 0.70 H new ATOM 0 HG23 THR A 51 -12.960 -2.163 -7.797 1.00 0.70 H new ATOM 705 N VAL A 52 -14.508 -3.220 -4.855 1.00 0.88 N ATOM 706 CA VAL A 52 -15.453 -4.315 -4.887 1.00 1.10 C ATOM 707 C VAL A 52 -16.519 -4.105 -3.814 1.00 1.38 C ATOM 708 O VAL A 52 -16.227 -3.595 -2.731 1.00 1.44 O ATOM 709 CB VAL A 52 -14.739 -5.669 -4.678 1.00 1.13 C ATOM 710 CG1 VAL A 52 -14.069 -5.728 -3.314 1.00 1.17 C ATOM 711 CG2 VAL A 52 -15.708 -6.826 -4.851 1.00 1.44 C ATOM 0 H VAL A 52 -13.725 -3.360 -4.217 1.00 0.88 H new ATOM 0 HA VAL A 52 -15.929 -4.335 -5.868 1.00 1.10 H new ATOM 0 HB VAL A 52 -13.964 -5.758 -5.439 1.00 1.13 H new ATOM 0 HG11 VAL A 52 -13.574 -6.692 -3.193 1.00 1.17 H new ATOM 0 HG12 VAL A 52 -13.332 -4.929 -3.236 1.00 1.17 H new ATOM 0 HG13 VAL A 52 -14.820 -5.606 -2.534 1.00 1.17 H new ATOM 0 HG21 VAL A 52 -15.181 -7.768 -4.699 1.00 1.44 H new ATOM 0 HG22 VAL A 52 -16.513 -6.739 -4.121 1.00 1.44 H new ATOM 0 HG23 VAL A 52 -16.126 -6.803 -5.857 1.00 1.44 H new ATOM 721 N ALA A 53 -17.751 -4.470 -4.125 1.00 1.71 N ATOM 722 CA ALA A 53 -18.846 -4.318 -3.183 1.00 2.11 C ATOM 723 C ALA A 53 -19.277 -5.672 -2.632 1.00 2.05 C ATOM 724 O ALA A 53 -19.677 -6.564 -3.385 1.00 2.54 O ATOM 725 CB ALA A 53 -20.017 -3.610 -3.843 1.00 2.94 C ATOM 0 H ALA A 53 -18.018 -4.874 -5.023 1.00 1.71 H new ATOM 0 HA ALA A 53 -18.499 -3.708 -2.349 1.00 2.11 H new ATOM 0 HB1 ALA A 53 -20.830 -3.504 -3.124 1.00 2.94 H new ATOM 0 HB2 ALA A 53 -19.701 -2.624 -4.182 1.00 2.94 H new ATOM 0 HB3 ALA A 53 -20.361 -4.194 -4.696 1.00 2.94 H new ATOM 731 N GLY A 54 -19.182 -5.823 -1.321 1.00 2.23 N ATOM 732 CA GLY A 54 -19.578 -7.057 -0.677 1.00 2.81 C ATOM 733 C GLY A 54 -19.766 -6.874 0.813 1.00 2.91 C ATOM 734 O GLY A 54 -20.049 -5.767 1.272 1.00 3.50 O ATOM 0 H GLY A 54 -18.834 -5.105 -0.686 1.00 2.23 H new ATOM 0 HA2 GLY A 54 -20.507 -7.417 -1.120 1.00 2.81 H new ATOM 0 HA3 GLY A 54 -18.822 -7.821 -0.857 1.00 2.81 H new ATOM 738 N SER A 55 -19.604 -7.947 1.570 1.00 2.88 N ATOM 739 CA SER A 55 -19.736 -7.875 3.017 1.00 3.27 C ATOM 740 C SER A 55 -18.361 -7.665 3.646 1.00 2.84 C ATOM 741 O SER A 55 -18.127 -6.674 4.339 1.00 3.08 O ATOM 742 CB SER A 55 -20.395 -9.147 3.560 1.00 4.15 C ATOM 743 OG SER A 55 -20.678 -9.033 4.946 1.00 4.90 O ATOM 0 H SER A 55 -19.382 -8.875 1.209 1.00 2.88 H new ATOM 0 HA SER A 55 -20.375 -7.031 3.277 1.00 3.27 H new ATOM 0 HB2 SER A 55 -21.318 -9.342 3.014 1.00 4.15 H new ATOM 0 HB3 SER A 55 -19.738 -10.000 3.390 1.00 4.15 H new ATOM 0 HG SER A 55 -21.099 -9.859 5.263 1.00 4.90 H new ATOM 749 N SER A 56 -17.455 -8.594 3.388 1.00 2.68 N ATOM 750 CA SER A 56 -16.074 -8.457 3.817 1.00 2.71 C ATOM 751 C SER A 56 -15.160 -8.733 2.628 1.00 2.12 C ATOM 752 O SER A 56 -13.984 -9.067 2.778 1.00 2.50 O ATOM 753 CB SER A 56 -15.779 -9.412 4.977 1.00 3.33 C ATOM 754 OG SER A 56 -14.527 -9.126 5.579 1.00 4.06 O ATOM 0 H SER A 56 -17.654 -9.456 2.880 1.00 2.68 H new ATOM 0 HA SER A 56 -15.895 -7.443 4.175 1.00 2.71 H new ATOM 0 HB2 SER A 56 -16.569 -9.334 5.724 1.00 3.33 H new ATOM 0 HB3 SER A 56 -15.783 -10.440 4.614 1.00 3.33 H new ATOM 0 HG SER A 56 -13.851 -8.995 4.882 1.00 4.06 H new ATOM 760 N ASP A 57 -15.728 -8.570 1.439 1.00 1.64 N ATOM 761 CA ASP A 57 -15.037 -8.839 0.188 1.00 1.50 C ATOM 762 C ASP A 57 -14.006 -7.761 -0.109 1.00 1.07 C ATOM 763 O ASP A 57 -13.123 -7.945 -0.948 1.00 1.44 O ATOM 764 CB ASP A 57 -16.049 -8.887 -0.960 1.00 2.15 C ATOM 765 CG ASP A 57 -17.092 -9.975 -0.798 1.00 2.62 C ATOM 766 OD1 ASP A 57 -18.028 -9.794 0.015 1.00 3.12 O ATOM 767 OD2 ASP A 57 -16.997 -11.002 -1.501 1.00 3.13 O ATOM 0 H ASP A 57 -16.687 -8.245 1.317 1.00 1.64 H new ATOM 0 HA ASP A 57 -14.527 -9.798 0.282 1.00 1.50 H new ATOM 0 HB2 ASP A 57 -16.550 -7.922 -1.033 1.00 2.15 H new ATOM 0 HB3 ASP A 57 -15.516 -9.042 -1.898 1.00 2.15 H new ATOM 772 N ALA A 58 -14.127 -6.637 0.589 1.00 0.67 N ATOM 773 CA ALA A 58 -13.300 -5.466 0.325 1.00 0.66 C ATOM 774 C ALA A 58 -11.819 -5.744 0.524 1.00 0.60 C ATOM 775 O ALA A 58 -10.973 -5.171 -0.163 1.00 0.83 O ATOM 776 CB ALA A 58 -13.742 -4.308 1.205 1.00 0.99 C ATOM 0 H ALA A 58 -14.796 -6.512 1.349 1.00 0.67 H new ATOM 0 HA ALA A 58 -13.437 -5.202 -0.724 1.00 0.66 H new ATOM 0 HB1 ALA A 58 -13.119 -3.437 1.001 1.00 0.99 H new ATOM 0 HB2 ALA A 58 -14.783 -4.066 0.993 1.00 0.99 H new ATOM 0 HB3 ALA A 58 -13.641 -4.589 2.253 1.00 0.99 H new ATOM 782 N CYS A 59 -11.510 -6.637 1.438 1.00 0.45 N ATOM 783 CA CYS A 59 -10.123 -6.946 1.745 1.00 0.54 C ATOM 784 C CYS A 59 -10.009 -8.235 2.545 1.00 0.55 C ATOM 785 O CYS A 59 -10.887 -8.563 3.349 1.00 0.74 O ATOM 786 CB CYS A 59 -9.486 -5.794 2.521 1.00 0.73 C ATOM 787 SG CYS A 59 -7.692 -5.982 2.772 1.00 0.74 S ATOM 0 H CYS A 59 -12.194 -7.162 1.982 1.00 0.45 H new ATOM 0 HA CYS A 59 -9.593 -7.083 0.802 1.00 0.54 H new ATOM 0 HB2 CYS A 59 -9.673 -4.862 1.988 1.00 0.73 H new ATOM 0 HB3 CYS A 59 -9.973 -5.709 3.493 1.00 0.73 H new ATOM 792 N SER A 60 -8.927 -8.965 2.318 1.00 0.64 N ATOM 793 CA SER A 60 -8.690 -10.213 3.022 1.00 0.86 C ATOM 794 C SER A 60 -7.394 -10.140 3.837 1.00 0.71 C ATOM 795 O SER A 60 -7.143 -10.983 4.699 1.00 1.05 O ATOM 796 CB SER A 60 -8.634 -11.370 2.022 1.00 1.24 C ATOM 797 OG SER A 60 -8.708 -12.631 2.670 1.00 2.14 O ATOM 0 H SER A 60 -8.199 -8.712 1.650 1.00 0.64 H new ATOM 0 HA SER A 60 -9.513 -10.386 3.716 1.00 0.86 H new ATOM 0 HB2 SER A 60 -9.456 -11.277 1.312 1.00 1.24 H new ATOM 0 HB3 SER A 60 -7.709 -11.310 1.448 1.00 1.24 H new ATOM 0 HG SER A 60 -8.235 -12.586 3.527 1.00 2.14 H new ATOM 803 N ALA A 61 -6.576 -9.126 3.569 1.00 0.38 N ATOM 804 CA ALA A 61 -5.312 -8.972 4.275 1.00 0.32 C ATOM 805 C ALA A 61 -5.348 -7.754 5.195 1.00 0.32 C ATOM 806 O ALA A 61 -5.622 -7.880 6.388 1.00 0.54 O ATOM 807 CB ALA A 61 -4.147 -8.889 3.294 1.00 0.38 C ATOM 0 H ALA A 61 -6.765 -8.405 2.873 1.00 0.38 H new ATOM 0 HA ALA A 61 -5.161 -9.855 4.896 1.00 0.32 H new ATOM 0 HB1 ALA A 61 -3.214 -8.774 3.846 1.00 0.38 H new ATOM 0 HB2 ALA A 61 -4.107 -9.801 2.699 1.00 0.38 H new ATOM 0 HB3 ALA A 61 -4.287 -8.032 2.635 1.00 0.38 H new ATOM 813 N THR A 62 -5.079 -6.576 4.642 1.00 0.22 N ATOM 814 CA THR A 62 -5.106 -5.341 5.417 1.00 0.19 C ATOM 815 C THR A 62 -5.490 -4.159 4.529 1.00 0.18 C ATOM 816 O THR A 62 -4.886 -3.939 3.481 1.00 0.20 O ATOM 817 CB THR A 62 -3.738 -5.072 6.079 1.00 0.22 C ATOM 818 OG1 THR A 62 -3.356 -6.203 6.874 1.00 0.29 O ATOM 819 CG2 THR A 62 -3.781 -3.829 6.956 1.00 0.24 C ATOM 0 H THR A 62 -4.839 -6.451 3.658 1.00 0.22 H new ATOM 0 HA THR A 62 -5.855 -5.457 6.201 1.00 0.19 H new ATOM 0 HB THR A 62 -3.007 -4.907 5.288 1.00 0.22 H new ATOM 0 HG1 THR A 62 -2.487 -6.030 7.292 1.00 0.29 H new ATOM 0 HG21 THR A 62 -2.802 -3.668 7.407 1.00 0.24 H new ATOM 0 HG22 THR A 62 -4.047 -2.964 6.348 1.00 0.24 H new ATOM 0 HG23 THR A 62 -4.525 -3.963 7.741 1.00 0.24 H new ATOM 827 N ALA A 63 -6.494 -3.402 4.950 1.00 0.19 N ATOM 828 CA ALA A 63 -6.975 -2.275 4.168 1.00 0.20 C ATOM 829 C ALA A 63 -6.169 -1.027 4.483 1.00 0.17 C ATOM 830 O ALA A 63 -5.805 -0.780 5.633 1.00 0.19 O ATOM 831 CB ALA A 63 -8.452 -2.036 4.431 1.00 0.25 C ATOM 0 H ALA A 63 -6.990 -3.549 5.829 1.00 0.19 H new ATOM 0 HA ALA A 63 -6.848 -2.509 3.111 1.00 0.20 H new ATOM 0 HB1 ALA A 63 -8.795 -1.189 3.837 1.00 0.25 H new ATOM 0 HB2 ALA A 63 -9.019 -2.925 4.156 1.00 0.25 H new ATOM 0 HB3 ALA A 63 -8.603 -1.822 5.489 1.00 0.25 H new ATOM 837 N VAL A 64 -5.880 -0.245 3.457 1.00 0.14 N ATOM 838 CA VAL A 64 -5.054 0.943 3.607 1.00 0.13 C ATOM 839 C VAL A 64 -5.470 2.035 2.633 1.00 0.14 C ATOM 840 O VAL A 64 -6.273 1.810 1.726 1.00 0.21 O ATOM 841 CB VAL A 64 -3.571 0.623 3.366 1.00 0.15 C ATOM 842 CG1 VAL A 64 -2.939 -0.032 4.587 1.00 0.14 C ATOM 843 CG2 VAL A 64 -3.442 -0.269 2.146 1.00 0.19 C ATOM 0 H VAL A 64 -6.207 -0.412 2.505 1.00 0.14 H new ATOM 0 HA VAL A 64 -5.195 1.292 4.630 1.00 0.13 H new ATOM 0 HB VAL A 64 -3.035 1.555 3.188 1.00 0.15 H new ATOM 0 HG11 VAL A 64 -1.890 -0.245 4.383 1.00 0.14 H new ATOM 0 HG12 VAL A 64 -3.013 0.642 5.441 1.00 0.14 H new ATOM 0 HG13 VAL A 64 -3.461 -0.962 4.812 1.00 0.14 H new ATOM 0 HG21 VAL A 64 -2.391 -0.498 1.972 1.00 0.19 H new ATOM 0 HG22 VAL A 64 -3.992 -1.195 2.313 1.00 0.19 H new ATOM 0 HG23 VAL A 64 -3.850 0.244 1.275 1.00 0.19 H new ATOM 853 N CYS A 65 -4.909 3.212 2.832 1.00 0.17 N ATOM 854 CA CYS A 65 -5.179 4.353 1.979 1.00 0.17 C ATOM 855 C CYS A 65 -3.864 4.980 1.523 1.00 0.13 C ATOM 856 O CYS A 65 -3.161 5.600 2.322 1.00 0.14 O ATOM 857 CB CYS A 65 -6.013 5.381 2.748 1.00 0.23 C ATOM 858 SG CYS A 65 -6.422 6.886 1.804 1.00 0.39 S ATOM 0 H CYS A 65 -4.253 3.404 3.589 1.00 0.17 H new ATOM 0 HA CYS A 65 -5.736 4.026 1.101 1.00 0.17 H new ATOM 0 HB2 CYS A 65 -6.940 4.908 3.072 1.00 0.23 H new ATOM 0 HB3 CYS A 65 -5.471 5.669 3.648 1.00 0.23 H new ATOM 863 N CYS A 66 -3.524 4.805 0.251 1.00 0.12 N ATOM 864 CA CYS A 66 -2.268 5.321 -0.282 1.00 0.13 C ATOM 865 C CYS A 66 -2.467 6.626 -1.032 1.00 0.16 C ATOM 866 O CYS A 66 -3.426 6.791 -1.782 1.00 0.23 O ATOM 867 CB CYS A 66 -1.606 4.301 -1.202 1.00 0.19 C ATOM 868 SG CYS A 66 -0.417 3.210 -0.365 1.00 0.65 S ATOM 0 H CYS A 66 -4.100 4.310 -0.430 1.00 0.12 H new ATOM 0 HA CYS A 66 -1.617 5.511 0.572 1.00 0.13 H new ATOM 0 HB2 CYS A 66 -2.380 3.690 -1.666 1.00 0.19 H new ATOM 0 HB3 CYS A 66 -1.094 4.831 -2.005 1.00 0.19 H new ATOM 873 N SER A 67 -1.541 7.550 -0.824 1.00 0.24 N ATOM 874 CA SER A 67 -1.599 8.854 -1.461 1.00 0.29 C ATOM 875 C SER A 67 -0.683 8.929 -2.679 1.00 0.32 C ATOM 876 O SER A 67 -0.855 9.787 -3.546 1.00 0.41 O ATOM 877 CB SER A 67 -1.214 9.922 -0.449 1.00 0.35 C ATOM 878 OG SER A 67 -2.085 9.891 0.670 1.00 1.15 O ATOM 0 H SER A 67 -0.735 7.417 -0.214 1.00 0.24 H new ATOM 0 HA SER A 67 -2.618 9.021 -1.810 1.00 0.29 H new ATOM 0 HB2 SER A 67 -0.187 9.765 -0.121 1.00 0.35 H new ATOM 0 HB3 SER A 67 -1.252 10.905 -0.918 1.00 0.35 H new ATOM 0 HG SER A 67 -1.820 10.584 1.310 1.00 1.15 H new ATOM 884 N ASP A 68 0.274 8.022 -2.749 1.00 0.30 N ATOM 885 CA ASP A 68 1.255 8.024 -3.830 1.00 0.37 C ATOM 886 C ASP A 68 0.889 6.964 -4.867 1.00 0.44 C ATOM 887 O ASP A 68 0.294 5.938 -4.526 1.00 0.57 O ATOM 888 CB ASP A 68 2.654 7.773 -3.263 1.00 0.43 C ATOM 889 CG ASP A 68 3.750 7.964 -4.289 1.00 1.03 C ATOM 890 OD1 ASP A 68 4.076 6.991 -5.003 1.00 1.60 O ATOM 891 OD2 ASP A 68 4.290 9.080 -4.386 1.00 1.52 O ATOM 0 H ASP A 68 0.397 7.271 -2.070 1.00 0.30 H new ATOM 0 HA ASP A 68 1.252 8.998 -4.320 1.00 0.37 H new ATOM 0 HB2 ASP A 68 2.827 8.448 -2.425 1.00 0.43 H new ATOM 0 HB3 ASP A 68 2.704 6.757 -2.870 1.00 0.43 H new ATOM 896 N ASN A 69 1.223 7.212 -6.132 1.00 0.53 N ATOM 897 CA ASN A 69 0.795 6.324 -7.212 1.00 0.63 C ATOM 898 C ASN A 69 1.973 5.721 -7.978 1.00 0.59 C ATOM 899 O ASN A 69 1.800 5.222 -9.091 1.00 0.64 O ATOM 900 CB ASN A 69 -0.139 7.061 -8.185 1.00 0.84 C ATOM 901 CG ASN A 69 0.559 8.142 -8.995 1.00 1.67 C ATOM 902 OD1 ASN A 69 1.068 7.890 -10.087 1.00 2.35 O ATOM 903 ND2 ASN A 69 0.573 9.357 -8.474 1.00 2.49 N ATOM 0 H ASN A 69 1.782 8.010 -6.433 1.00 0.53 H new ATOM 0 HA ASN A 69 0.254 5.502 -6.743 1.00 0.63 H new ATOM 0 HB2 ASN A 69 -0.584 6.337 -8.868 1.00 0.84 H new ATOM 0 HB3 ASN A 69 -0.956 7.511 -7.621 1.00 0.84 H new ATOM 0 HD21 ASN A 69 1.016 10.124 -8.980 1.00 2.49 H new ATOM 0 HD22 ASN A 69 0.141 9.528 -7.566 1.00 2.49 H new ATOM 910 N ASN A 70 3.164 5.742 -7.385 1.00 0.59 N ATOM 911 CA ASN A 70 4.332 5.118 -8.014 1.00 0.64 C ATOM 912 C ASN A 70 4.295 3.608 -7.799 1.00 0.55 C ATOM 913 O ASN A 70 5.162 3.030 -7.148 1.00 0.86 O ATOM 914 CB ASN A 70 5.640 5.698 -7.460 1.00 0.83 C ATOM 915 CG ASN A 70 5.873 7.136 -7.878 1.00 1.50 C ATOM 916 OD1 ASN A 70 6.483 7.407 -8.915 1.00 2.24 O ATOM 917 ND2 ASN A 70 5.404 8.071 -7.070 1.00 2.27 N ATOM 0 H ASN A 70 3.348 6.178 -6.481 1.00 0.59 H new ATOM 0 HA ASN A 70 4.296 5.331 -9.082 1.00 0.64 H new ATOM 0 HB2 ASN A 70 5.625 5.640 -6.372 1.00 0.83 H new ATOM 0 HB3 ASN A 70 6.475 5.086 -7.801 1.00 0.83 H new ATOM 0 HD21 ASN A 70 5.542 9.056 -7.296 1.00 2.27 H new ATOM 0 HD22 ASN A 70 4.904 7.807 -6.221 1.00 2.27 H new ATOM 924 N VAL A 71 3.278 2.979 -8.364 1.00 0.41 N ATOM 925 CA VAL A 71 3.025 1.568 -8.150 1.00 0.38 C ATOM 926 C VAL A 71 3.740 0.713 -9.195 1.00 0.33 C ATOM 927 O VAL A 71 3.739 1.029 -10.386 1.00 0.38 O ATOM 928 CB VAL A 71 1.503 1.293 -8.162 1.00 0.52 C ATOM 929 CG1 VAL A 71 1.183 -0.189 -8.061 1.00 1.10 C ATOM 930 CG2 VAL A 71 0.824 2.057 -7.039 1.00 1.03 C ATOM 0 H VAL A 71 2.606 3.433 -8.983 1.00 0.41 H new ATOM 0 HA VAL A 71 3.422 1.293 -7.173 1.00 0.38 H new ATOM 0 HB VAL A 71 1.118 1.640 -9.121 1.00 0.52 H new ATOM 0 HG11 VAL A 71 0.102 -0.330 -8.073 1.00 1.10 H new ATOM 0 HG12 VAL A 71 1.627 -0.716 -8.906 1.00 1.10 H new ATOM 0 HG13 VAL A 71 1.590 -0.587 -7.131 1.00 1.10 H new ATOM 0 HG21 VAL A 71 -0.247 1.856 -7.058 1.00 1.03 H new ATOM 0 HG22 VAL A 71 1.236 1.739 -6.081 1.00 1.03 H new ATOM 0 HG23 VAL A 71 0.995 3.125 -7.171 1.00 1.03 H new ATOM 940 N SER A 72 4.354 -0.367 -8.723 1.00 0.32 N ATOM 941 CA SER A 72 5.111 -1.291 -9.566 1.00 0.37 C ATOM 942 C SER A 72 4.178 -2.239 -10.309 1.00 0.42 C ATOM 943 O SER A 72 4.612 -3.061 -11.117 1.00 0.55 O ATOM 944 CB SER A 72 6.065 -2.102 -8.689 1.00 0.45 C ATOM 945 OG SER A 72 5.338 -2.870 -7.741 1.00 1.41 O ATOM 0 H SER A 72 4.341 -0.629 -7.737 1.00 0.32 H new ATOM 0 HA SER A 72 5.672 -0.714 -10.301 1.00 0.37 H new ATOM 0 HB2 SER A 72 6.670 -2.761 -9.312 1.00 0.45 H new ATOM 0 HB3 SER A 72 6.752 -1.432 -8.173 1.00 0.45 H new ATOM 0 HG SER A 72 5.900 -3.604 -7.414 1.00 1.41 H new ATOM 951 N GLY A 73 2.895 -2.109 -10.024 1.00 0.39 N ATOM 952 CA GLY A 73 1.898 -2.982 -10.595 1.00 0.48 C ATOM 953 C GLY A 73 1.010 -3.599 -9.542 1.00 0.41 C ATOM 954 O GLY A 73 -0.172 -3.840 -9.791 1.00 0.48 O ATOM 0 H GLY A 73 2.521 -1.399 -9.394 1.00 0.39 H new ATOM 0 HA2 GLY A 73 1.286 -2.420 -11.300 1.00 0.48 H new ATOM 0 HA3 GLY A 73 2.391 -3.773 -11.161 1.00 0.48 H new ATOM 958 N VAL A 74 1.555 -3.834 -8.352 1.00 0.31 N ATOM 959 CA VAL A 74 0.764 -4.426 -7.281 1.00 0.28 C ATOM 960 C VAL A 74 1.034 -3.779 -5.924 1.00 0.22 C ATOM 961 O VAL A 74 0.357 -4.083 -4.949 1.00 0.34 O ATOM 962 CB VAL A 74 1.010 -5.942 -7.161 1.00 0.37 C ATOM 963 CG1 VAL A 74 0.758 -6.636 -8.489 1.00 0.49 C ATOM 964 CG2 VAL A 74 2.415 -6.220 -6.664 1.00 0.38 C ATOM 0 H VAL A 74 2.524 -3.628 -8.108 1.00 0.31 H new ATOM 0 HA VAL A 74 -0.275 -4.244 -7.554 1.00 0.28 H new ATOM 0 HB VAL A 74 0.307 -6.344 -6.431 1.00 0.37 H new ATOM 0 HG11 VAL A 74 0.938 -7.706 -8.380 1.00 0.49 H new ATOM 0 HG12 VAL A 74 -0.275 -6.471 -8.796 1.00 0.49 H new ATOM 0 HG13 VAL A 74 1.430 -6.230 -9.245 1.00 0.49 H new ATOM 0 HG21 VAL A 74 2.567 -7.297 -6.587 1.00 0.38 H new ATOM 0 HG22 VAL A 74 3.138 -5.801 -7.364 1.00 0.38 H new ATOM 0 HG23 VAL A 74 2.551 -5.763 -5.684 1.00 0.38 H new ATOM 974 N ILE A 75 2.026 -2.905 -5.849 1.00 0.18 N ATOM 975 CA ILE A 75 2.354 -2.271 -4.575 1.00 0.17 C ATOM 976 C ILE A 75 1.497 -1.045 -4.308 1.00 0.16 C ATOM 977 O ILE A 75 0.619 -0.690 -5.092 1.00 0.20 O ATOM 978 CB ILE A 75 3.825 -1.834 -4.498 1.00 0.19 C ATOM 979 CG1 ILE A 75 4.156 -0.886 -5.640 1.00 0.20 C ATOM 980 CG2 ILE A 75 4.733 -3.040 -4.532 1.00 0.24 C ATOM 981 CD1 ILE A 75 5.254 0.098 -5.314 1.00 0.30 C ATOM 0 H ILE A 75 2.609 -2.621 -6.636 1.00 0.18 H new ATOM 0 HA ILE A 75 2.158 -3.035 -3.823 1.00 0.17 H new ATOM 0 HB ILE A 75 3.983 -1.308 -3.556 1.00 0.19 H new ATOM 0 HG12 ILE A 75 4.451 -1.470 -6.511 1.00 0.20 H new ATOM 0 HG13 ILE A 75 3.257 -0.335 -5.915 1.00 0.20 H new ATOM 0 HG21 ILE A 75 5.772 -2.715 -4.477 1.00 0.24 H new ATOM 0 HG22 ILE A 75 4.510 -3.688 -3.684 1.00 0.24 H new ATOM 0 HG23 ILE A 75 4.574 -3.589 -5.460 1.00 0.24 H new ATOM 0 HD11 ILE A 75 5.434 0.740 -6.176 1.00 0.30 H new ATOM 0 HD12 ILE A 75 4.954 0.709 -4.462 1.00 0.30 H new ATOM 0 HD13 ILE A 75 6.167 -0.444 -5.068 1.00 0.30 H new ATOM 993 N ALA A 76 1.773 -0.416 -3.183 1.00 0.15 N ATOM 994 CA ALA A 76 1.127 0.822 -2.792 1.00 0.16 C ATOM 995 C ALA A 76 2.092 1.658 -1.951 1.00 0.14 C ATOM 996 O ALA A 76 2.819 1.112 -1.126 1.00 0.15 O ATOM 997 CB ALA A 76 -0.140 0.509 -2.015 1.00 0.18 C ATOM 0 H ALA A 76 2.459 -0.753 -2.507 1.00 0.15 H new ATOM 0 HA ALA A 76 0.856 1.396 -3.678 1.00 0.16 H new ATOM 0 HB1 ALA A 76 -0.626 1.439 -1.721 1.00 0.18 H new ATOM 0 HB2 ALA A 76 -0.817 -0.072 -2.642 1.00 0.18 H new ATOM 0 HB3 ALA A 76 0.112 -0.066 -1.124 1.00 0.18 H new ATOM 1003 N ILE A 77 2.120 2.969 -2.173 1.00 0.15 N ATOM 1004 CA ILE A 77 3.042 3.842 -1.447 1.00 0.16 C ATOM 1005 C ILE A 77 2.296 4.971 -0.735 1.00 0.16 C ATOM 1006 O ILE A 77 1.405 5.602 -1.308 1.00 0.21 O ATOM 1007 CB ILE A 77 4.099 4.453 -2.393 1.00 0.19 C ATOM 1008 CG1 ILE A 77 4.857 3.348 -3.127 1.00 0.21 C ATOM 1009 CG2 ILE A 77 5.071 5.333 -1.617 1.00 0.24 C ATOM 1010 CD1 ILE A 77 5.845 3.872 -4.139 1.00 0.26 C ATOM 0 H ILE A 77 1.520 3.449 -2.844 1.00 0.15 H new ATOM 0 HA ILE A 77 3.543 3.222 -0.704 1.00 0.16 H new ATOM 0 HB ILE A 77 3.584 5.073 -3.127 1.00 0.19 H new ATOM 0 HG12 ILE A 77 5.386 2.734 -2.398 1.00 0.21 H new ATOM 0 HG13 ILE A 77 4.141 2.699 -3.631 1.00 0.21 H new ATOM 0 HG21 ILE A 77 5.807 5.754 -2.302 1.00 0.24 H new ATOM 0 HG22 ILE A 77 4.523 6.141 -1.132 1.00 0.24 H new ATOM 0 HG23 ILE A 77 5.579 4.735 -0.861 1.00 0.24 H new ATOM 0 HD11 ILE A 77 6.348 3.035 -4.623 1.00 0.26 H new ATOM 0 HD12 ILE A 77 5.319 4.462 -4.889 1.00 0.26 H new ATOM 0 HD13 ILE A 77 6.583 4.498 -3.637 1.00 0.26 H new ATOM 1022 N GLY A 78 2.662 5.215 0.519 1.00 0.16 N ATOM 1023 CA GLY A 78 2.033 6.272 1.289 1.00 0.17 C ATOM 1024 C GLY A 78 0.690 5.847 1.831 1.00 0.15 C ATOM 1025 O GLY A 78 -0.293 6.574 1.703 1.00 0.17 O ATOM 0 H GLY A 78 3.386 4.697 1.017 1.00 0.16 H new ATOM 0 HA2 GLY A 78 2.685 6.557 2.115 1.00 0.17 H new ATOM 0 HA3 GLY A 78 1.909 7.155 0.661 1.00 0.17 H new ATOM 1029 N CYS A 79 0.646 4.667 2.434 1.00 0.13 N ATOM 1030 CA CYS A 79 -0.600 4.101 2.909 1.00 0.13 C ATOM 1031 C CYS A 79 -0.792 4.293 4.403 1.00 0.13 C ATOM 1032 O CYS A 79 0.137 4.131 5.191 1.00 0.18 O ATOM 1033 CB CYS A 79 -0.653 2.614 2.579 1.00 0.15 C ATOM 1034 SG CYS A 79 -1.513 2.231 1.023 1.00 0.65 S ATOM 0 H CYS A 79 1.465 4.084 2.604 1.00 0.13 H new ATOM 0 HA CYS A 79 -1.407 4.630 2.402 1.00 0.13 H new ATOM 0 HB2 CYS A 79 0.365 2.228 2.524 1.00 0.15 H new ATOM 0 HB3 CYS A 79 -1.149 2.089 3.395 1.00 0.15 H new ATOM 1039 N LEU A 80 -2.003 4.664 4.777 1.00 0.14 N ATOM 1040 CA LEU A 80 -2.411 4.649 6.169 1.00 0.15 C ATOM 1041 C LEU A 80 -3.394 3.509 6.394 1.00 0.15 C ATOM 1042 O LEU A 80 -4.308 3.310 5.595 1.00 0.15 O ATOM 1043 CB LEU A 80 -3.051 5.975 6.571 1.00 0.19 C ATOM 1044 CG LEU A 80 -2.108 7.181 6.555 1.00 0.23 C ATOM 1045 CD1 LEU A 80 -2.863 8.454 6.902 1.00 0.29 C ATOM 1046 CD2 LEU A 80 -0.955 6.968 7.524 1.00 0.26 C ATOM 0 H LEU A 80 -2.725 4.981 4.131 1.00 0.14 H new ATOM 0 HA LEU A 80 -1.526 4.502 6.788 1.00 0.15 H new ATOM 0 HB2 LEU A 80 -3.885 6.177 5.899 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -3.467 5.871 7.573 1.00 0.19 H new ATOM 0 HG LEU A 80 -1.701 7.285 5.549 1.00 0.23 H new ATOM 0 HD11 LEU A 80 -2.176 9.300 6.886 1.00 0.29 H new ATOM 0 HD12 LEU A 80 -3.657 8.617 6.173 1.00 0.29 H new ATOM 0 HD13 LEU A 80 -3.298 8.359 7.897 1.00 0.29 H new ATOM 0 HD21 LEU A 80 -0.295 7.835 7.500 1.00 0.26 H new ATOM 0 HD22 LEU A 80 -1.347 6.838 8.533 1.00 0.26 H new ATOM 0 HD23 LEU A 80 -0.396 6.078 7.235 1.00 0.26 H new ATOM 1058 N PRO A 81 -3.200 2.735 7.467 1.00 0.15 N ATOM 1059 CA PRO A 81 -4.051 1.584 7.784 1.00 0.17 C ATOM 1060 C PRO A 81 -5.488 1.989 8.092 1.00 0.21 C ATOM 1061 O PRO A 81 -5.737 2.878 8.911 1.00 0.25 O ATOM 1062 CB PRO A 81 -3.396 0.964 9.025 1.00 0.21 C ATOM 1063 CG PRO A 81 -2.033 1.562 9.099 1.00 0.20 C ATOM 1064 CD PRO A 81 -2.133 2.917 8.460 1.00 0.17 C ATOM 0 HA PRO A 81 -4.120 0.897 6.940 1.00 0.17 H new ATOM 0 HB2 PRO A 81 -3.971 1.186 9.924 1.00 0.21 H new ATOM 0 HB3 PRO A 81 -3.344 -0.121 8.940 1.00 0.21 H new ATOM 0 HG2 PRO A 81 -1.700 1.643 10.134 1.00 0.20 H new ATOM 0 HG3 PRO A 81 -1.306 0.939 8.578 1.00 0.20 H new ATOM 0 HD2 PRO A 81 -2.386 3.689 9.187 1.00 0.17 H new ATOM 0 HD3 PRO A 81 -1.194 3.214 7.994 1.00 0.17 H new ATOM 1072 N VAL A 82 -6.427 1.346 7.416 1.00 0.23 N ATOM 1073 CA VAL A 82 -7.833 1.569 7.638 1.00 0.30 C ATOM 1074 C VAL A 82 -8.550 0.235 7.753 1.00 0.39 C ATOM 1075 O VAL A 82 -8.022 -0.798 7.350 1.00 0.42 O ATOM 1076 CB VAL A 82 -8.465 2.402 6.509 1.00 0.25 C ATOM 1077 CG1 VAL A 82 -8.039 3.858 6.613 1.00 0.33 C ATOM 1078 CG2 VAL A 82 -8.104 1.844 5.141 1.00 0.20 C ATOM 0 H VAL A 82 -6.226 0.652 6.696 1.00 0.23 H new ATOM 0 HA VAL A 82 -7.939 2.131 8.566 1.00 0.30 H new ATOM 0 HB VAL A 82 -9.548 2.345 6.623 1.00 0.25 H new ATOM 0 HG11 VAL A 82 -8.497 4.430 5.806 1.00 0.33 H new ATOM 0 HG12 VAL A 82 -8.361 4.264 7.572 1.00 0.33 H new ATOM 0 HG13 VAL A 82 -6.954 3.926 6.536 1.00 0.33 H new ATOM 0 HG21 VAL A 82 -8.566 2.455 4.365 1.00 0.20 H new ATOM 0 HG22 VAL A 82 -7.021 1.858 5.017 1.00 0.20 H new ATOM 0 HG23 VAL A 82 -8.466 0.819 5.059 1.00 0.20 H new ATOM 1088 N THR A 83 -9.728 0.247 8.336 1.00 0.53 N ATOM 1089 CA THR A 83 -10.499 -0.970 8.501 1.00 0.70 C ATOM 1090 C THR A 83 -11.988 -0.676 8.351 1.00 1.46 C ATOM 1091 O THR A 83 -12.436 0.434 8.654 1.00 2.07 O ATOM 1092 CB THR A 83 -10.207 -1.615 9.874 1.00 1.31 C ATOM 1093 OG1 THR A 83 -8.793 -1.827 10.009 1.00 1.98 O ATOM 1094 CG2 THR A 83 -10.932 -2.943 10.035 1.00 1.65 C ATOM 0 H THR A 83 -10.175 1.086 8.705 1.00 0.53 H new ATOM 0 HA THR A 83 -10.205 -1.676 7.724 1.00 0.70 H new ATOM 0 HB THR A 83 -10.566 -0.937 10.649 1.00 1.31 H new ATOM 0 HG1 THR A 83 -8.605 -2.235 10.880 1.00 1.98 H new ATOM 0 HG21 THR A 83 -10.702 -3.367 11.013 1.00 1.65 H new ATOM 0 HG22 THR A 83 -12.007 -2.783 9.952 1.00 1.65 H new ATOM 0 HG23 THR A 83 -10.607 -3.632 9.256 1.00 1.65 H new ATOM 1102 N LEU A 84 -12.731 -1.666 7.856 1.00 1.87 N ATOM 1103 CA LEU A 84 -14.167 -1.546 7.634 1.00 2.80 C ATOM 1104 C LEU A 84 -14.473 -0.423 6.650 1.00 3.45 C ATOM 1105 O LEU A 84 -14.262 -0.633 5.440 1.00 3.87 O ATOM 1106 CB LEU A 84 -14.895 -1.328 8.960 1.00 3.22 C ATOM 1107 CG LEU A 84 -14.920 -2.543 9.886 1.00 3.13 C ATOM 1108 CD1 LEU A 84 -15.470 -2.165 11.250 1.00 3.79 C ATOM 1109 CD2 LEU A 84 -15.742 -3.667 9.273 1.00 3.37 C ATOM 1110 OXT LEU A 84 -14.922 0.659 7.085 1.00 3.91 O ATOM 0 H LEU A 84 -12.350 -2.576 7.598 1.00 1.87 H new ATOM 0 HA LEU A 84 -14.527 -2.477 7.197 1.00 2.80 H new ATOM 0 HB2 LEU A 84 -14.422 -0.498 9.485 1.00 3.22 H new ATOM 0 HB3 LEU A 84 -15.922 -1.028 8.749 1.00 3.22 H new ATOM 0 HG LEU A 84 -13.897 -2.896 10.014 1.00 3.13 H new ATOM 0 HD11 LEU A 84 -15.480 -3.044 11.895 1.00 3.79 H new ATOM 0 HD12 LEU A 84 -14.840 -1.395 11.696 1.00 3.79 H new ATOM 0 HD13 LEU A 84 -16.485 -1.784 11.140 1.00 3.79 H new ATOM 0 HD21 LEU A 84 -15.748 -4.523 9.948 1.00 3.37 H new ATOM 0 HD22 LEU A 84 -16.764 -3.324 9.113 1.00 3.37 H new ATOM 0 HD23 LEU A 84 -15.304 -3.960 8.319 1.00 3.37 H new TER 1122 LEU A 84