USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=16 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= -2.65! K(o=-2.8!,f=-2.1) USER MOD Set 1.2: A 16 ASN : amide:sc= -0.171 K(o=-2.8,f=-2.3!) USER MOD Set 2.1: A 7 SER OG : rot -69:sc= 0.636 USER MOD Set 2.2: A 8 THR OG1 : rot 180:sc= 0.024 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0998 (180deg=0) USER MOD Single : A 2 SER OG : rot -146:sc= 0.95 USER MOD Single : A 5 GLN : amide:sc= -2.34! K(o=-2.3!,f=0.07) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -5.12! C(o=-5.1!,f=-8.8!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -40:sc= 1.27 USER MOD Single : A 40 THR OG1 : rot 32:sc= 1.23 USER MOD Single : A 51 THR OG1 : rot -35:sc= 0.853 USER MOD Single : A 55 SER OG : rot 45:sc= 0.187 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0611 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 67 SER OG : rot 47:sc= 1.21 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.146! X(o=-0.15!,f=-0.091) USER MOD Single : A 72 SER OG : rot -140:sc= -0.0069 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.878 -0.169 -9.540 1.00 5.63 N ATOM 2 CA GLY A 1 -18.298 -0.452 -8.206 1.00 4.92 C ATOM 3 C GLY A 1 -18.503 0.704 -7.252 1.00 4.01 C ATOM 4 O GLY A 1 -18.851 1.805 -7.675 1.00 4.29 O ATOM 0 H1 GLY A 1 -19.683 -0.805 -9.710 1.00 5.63 H new ATOM 0 H2 GLY A 1 -19.203 0.818 -9.575 1.00 5.63 H new ATOM 0 H3 GLY A 1 -18.155 -0.322 -10.272 1.00 5.63 H new ATOM 0 HA2 GLY A 1 -18.756 -1.351 -7.793 1.00 4.92 H new ATOM 0 HA3 GLY A 1 -17.232 -0.655 -8.308 1.00 4.92 H new ATOM 10 N SER A 2 -18.283 0.469 -5.966 1.00 3.39 N ATOM 11 CA SER A 2 -18.487 1.503 -4.962 1.00 2.92 C ATOM 12 C SER A 2 -17.217 2.328 -4.763 1.00 2.13 C ATOM 13 O SER A 2 -17.201 3.281 -3.977 1.00 2.36 O ATOM 14 CB SER A 2 -18.926 0.867 -3.646 1.00 3.61 C ATOM 15 OG SER A 2 -20.051 0.025 -3.851 1.00 4.28 O ATOM 0 H SER A 2 -17.964 -0.426 -5.594 1.00 3.39 H new ATOM 0 HA SER A 2 -19.271 2.176 -5.309 1.00 2.92 H new ATOM 0 HB2 SER A 2 -18.104 0.289 -3.223 1.00 3.61 H new ATOM 0 HB3 SER A 2 -19.174 1.645 -2.924 1.00 3.61 H new ATOM 0 HG SER A 2 -20.633 0.059 -3.063 1.00 4.28 H new ATOM 21 N TRP A 3 -16.162 1.953 -5.495 1.00 1.93 N ATOM 22 CA TRP A 3 -14.871 2.644 -5.446 1.00 1.69 C ATOM 23 C TRP A 3 -14.220 2.504 -4.073 1.00 1.84 C ATOM 24 O TRP A 3 -14.775 1.887 -3.163 1.00 2.71 O ATOM 25 CB TRP A 3 -15.027 4.131 -5.796 1.00 2.33 C ATOM 26 CG TRP A 3 -15.511 4.383 -7.192 1.00 2.76 C ATOM 27 CD1 TRP A 3 -16.802 4.353 -7.631 1.00 3.47 C ATOM 28 CD2 TRP A 3 -14.708 4.717 -8.331 1.00 3.17 C ATOM 29 NE1 TRP A 3 -16.853 4.640 -8.972 1.00 4.11 N ATOM 30 CE2 TRP A 3 -15.580 4.870 -9.424 1.00 3.90 C ATOM 31 CE3 TRP A 3 -13.336 4.901 -8.531 1.00 3.49 C ATOM 32 CZ2 TRP A 3 -15.125 5.196 -10.698 1.00 4.62 C ATOM 33 CZ3 TRP A 3 -12.888 5.227 -9.796 1.00 4.30 C ATOM 34 CH2 TRP A 3 -13.778 5.372 -10.865 1.00 4.74 C ATOM 0 H TRP A 3 -16.180 1.161 -6.138 1.00 1.93 H new ATOM 0 HA TRP A 3 -14.225 2.174 -6.187 1.00 1.69 H new ATOM 0 HB2 TRP A 3 -15.724 4.588 -5.093 1.00 2.33 H new ATOM 0 HB3 TRP A 3 -14.066 4.628 -5.661 1.00 2.33 H new ATOM 0 HD1 TRP A 3 -17.660 4.135 -7.013 1.00 3.47 H new ATOM 0 HE1 TRP A 3 -17.700 4.676 -9.539 1.00 4.11 H new ATOM 0 HE3 TRP A 3 -12.641 4.790 -7.712 1.00 3.49 H new ATOM 0 HZ2 TRP A 3 -15.810 5.306 -11.525 1.00 4.62 H new ATOM 0 HZ3 TRP A 3 -11.831 5.373 -9.963 1.00 4.30 H new ATOM 0 HH2 TRP A 3 -13.395 5.628 -11.842 1.00 4.74 H new ATOM 45 N GLY A 4 -13.033 3.068 -3.937 1.00 1.61 N ATOM 46 CA GLY A 4 -12.344 3.064 -2.668 1.00 2.03 C ATOM 47 C GLY A 4 -12.000 4.466 -2.239 1.00 1.82 C ATOM 48 O GLY A 4 -10.850 4.894 -2.348 1.00 1.87 O ATOM 0 H GLY A 4 -12.530 3.533 -4.692 1.00 1.61 H new ATOM 0 HA2 GLY A 4 -12.970 2.591 -1.911 1.00 2.03 H new ATOM 0 HA3 GLY A 4 -11.434 2.469 -2.746 1.00 2.03 H new ATOM 52 N GLN A 5 -12.999 5.187 -1.755 1.00 1.92 N ATOM 53 CA GLN A 5 -12.826 6.590 -1.437 1.00 1.96 C ATOM 54 C GLN A 5 -12.301 6.764 -0.017 1.00 1.53 C ATOM 55 O GLN A 5 -12.902 6.297 0.951 1.00 1.64 O ATOM 56 CB GLN A 5 -14.128 7.375 -1.636 1.00 2.55 C ATOM 57 CG GLN A 5 -15.264 6.879 -0.780 1.00 3.13 C ATOM 58 CD GLN A 5 -16.257 6.009 -1.530 1.00 3.34 C ATOM 59 OE1 GLN A 5 -17.435 5.966 -1.184 1.00 3.26 O ATOM 60 NE2 GLN A 5 -15.802 5.331 -2.574 1.00 4.17 N ATOM 0 H GLN A 5 -13.935 4.822 -1.575 1.00 1.92 H new ATOM 0 HA GLN A 5 -12.086 6.995 -2.127 1.00 1.96 H new ATOM 0 HB2 GLN A 5 -13.947 8.426 -1.413 1.00 2.55 H new ATOM 0 HB3 GLN A 5 -14.421 7.318 -2.684 1.00 2.55 H new ATOM 0 HG2 GLN A 5 -14.856 6.312 0.057 1.00 3.13 H new ATOM 0 HG3 GLN A 5 -15.790 7.735 -0.358 1.00 3.13 H new ATOM 0 HE21 GLN A 5 -14.817 5.391 -2.831 1.00 4.17 H new ATOM 0 HE22 GLN A 5 -16.437 4.749 -3.120 1.00 4.17 H new ATOM 69 N CYS A 6 -11.158 7.413 0.088 1.00 1.29 N ATOM 70 CA CYS A 6 -10.548 7.693 1.372 1.00 0.94 C ATOM 71 C CYS A 6 -10.600 9.190 1.649 1.00 0.96 C ATOM 72 O CYS A 6 -11.511 9.664 2.329 1.00 1.88 O ATOM 73 CB CYS A 6 -9.108 7.166 1.389 1.00 0.81 C ATOM 74 SG CYS A 6 -8.096 7.682 2.810 1.00 0.61 S ATOM 0 H CYS A 6 -10.628 7.760 -0.711 1.00 1.29 H new ATOM 0 HA CYS A 6 -11.100 7.185 2.163 1.00 0.94 H new ATOM 0 HB2 CYS A 6 -9.139 6.077 1.365 1.00 0.81 H new ATOM 0 HB3 CYS A 6 -8.611 7.491 0.475 1.00 0.81 H new ATOM 79 N SER A 7 -9.657 9.932 1.074 1.00 0.91 N ATOM 80 CA SER A 7 -9.598 11.381 1.241 1.00 0.99 C ATOM 81 C SER A 7 -8.385 11.953 0.515 1.00 1.25 C ATOM 82 O SER A 7 -8.485 12.420 -0.619 1.00 1.82 O ATOM 83 CB SER A 7 -9.540 11.748 2.727 1.00 1.55 C ATOM 84 OG SER A 7 -8.565 10.972 3.407 1.00 2.40 O ATOM 0 H SER A 7 -8.918 9.550 0.484 1.00 0.91 H new ATOM 0 HA SER A 7 -10.501 11.812 0.809 1.00 0.99 H new ATOM 0 HB2 SER A 7 -9.306 12.807 2.834 1.00 1.55 H new ATOM 0 HB3 SER A 7 -10.518 11.590 3.182 1.00 1.55 H new ATOM 0 HG SER A 7 -8.865 10.040 3.457 1.00 2.40 H new ATOM 90 N THR A 8 -7.238 11.880 1.172 1.00 1.48 N ATOM 91 CA THR A 8 -5.987 12.350 0.609 1.00 2.09 C ATOM 92 C THR A 8 -5.260 11.208 -0.090 1.00 1.70 C ATOM 93 O THR A 8 -4.060 11.281 -0.364 1.00 2.23 O ATOM 94 CB THR A 8 -5.094 12.940 1.714 1.00 2.93 C ATOM 95 OG1 THR A 8 -5.129 12.088 2.869 1.00 3.15 O ATOM 96 CG2 THR A 8 -5.560 14.335 2.095 1.00 3.75 C ATOM 0 H THR A 8 -7.151 11.492 2.111 1.00 1.48 H new ATOM 0 HA THR A 8 -6.207 13.128 -0.122 1.00 2.09 H new ATOM 0 HB THR A 8 -4.073 13.006 1.337 1.00 2.93 H new ATOM 0 HG1 THR A 8 -4.558 12.465 3.571 1.00 3.15 H new ATOM 0 HG21 THR A 8 -4.914 14.733 2.878 1.00 3.75 H new ATOM 0 HG22 THR A 8 -5.514 14.985 1.221 1.00 3.75 H new ATOM 0 HG23 THR A 8 -6.586 14.289 2.460 1.00 3.75 H new ATOM 104 N GLY A 9 -6.008 10.153 -0.371 1.00 0.97 N ATOM 105 CA GLY A 9 -5.453 8.994 -1.022 1.00 0.72 C ATOM 106 C GLY A 9 -6.533 8.037 -1.472 1.00 0.71 C ATOM 107 O GLY A 9 -7.717 8.258 -1.204 1.00 1.12 O ATOM 0 H GLY A 9 -7.002 10.083 -0.155 1.00 0.97 H new ATOM 0 HA2 GLY A 9 -4.862 9.308 -1.883 1.00 0.72 H new ATOM 0 HA3 GLY A 9 -4.775 8.483 -0.339 1.00 0.72 H new ATOM 111 N SER A 10 -6.124 6.983 -2.148 1.00 0.38 N ATOM 112 CA SER A 10 -7.036 5.965 -2.635 1.00 0.39 C ATOM 113 C SER A 10 -7.044 4.792 -1.666 1.00 0.28 C ATOM 114 O SER A 10 -6.090 4.603 -0.915 1.00 0.29 O ATOM 115 CB SER A 10 -6.611 5.495 -4.029 1.00 0.52 C ATOM 116 OG SER A 10 -7.573 4.622 -4.597 1.00 0.96 O ATOM 0 H SER A 10 -5.146 6.806 -2.377 1.00 0.38 H new ATOM 0 HA SER A 10 -8.040 6.384 -2.704 1.00 0.39 H new ATOM 0 HB2 SER A 10 -6.473 6.359 -4.679 1.00 0.52 H new ATOM 0 HB3 SER A 10 -5.649 4.987 -3.965 1.00 0.52 H new ATOM 0 HG SER A 10 -7.274 4.341 -5.487 1.00 0.96 H new ATOM 122 N ILE A 11 -8.136 4.050 -1.624 1.00 0.32 N ATOM 123 CA ILE A 11 -8.186 2.868 -0.784 1.00 0.27 C ATOM 124 C ILE A 11 -7.861 1.617 -1.575 1.00 0.20 C ATOM 125 O ILE A 11 -8.413 1.368 -2.651 1.00 0.26 O ATOM 126 CB ILE A 11 -9.543 2.698 -0.082 1.00 0.39 C ATOM 127 CG1 ILE A 11 -9.748 3.856 0.880 1.00 0.50 C ATOM 128 CG2 ILE A 11 -9.618 1.365 0.655 1.00 0.40 C ATOM 129 CD1 ILE A 11 -10.933 3.692 1.796 1.00 0.96 C ATOM 0 H ILE A 11 -8.987 4.241 -2.153 1.00 0.32 H new ATOM 0 HA ILE A 11 -7.428 3.013 -0.014 1.00 0.27 H new ATOM 0 HB ILE A 11 -10.335 2.700 -0.830 1.00 0.39 H new ATOM 0 HG12 ILE A 11 -8.849 3.976 1.484 1.00 0.50 H new ATOM 0 HG13 ILE A 11 -9.871 4.774 0.306 1.00 0.50 H new ATOM 0 HG21 ILE A 11 -10.589 1.273 1.142 1.00 0.40 H new ATOM 0 HG22 ILE A 11 -9.489 0.549 -0.056 1.00 0.40 H new ATOM 0 HG23 ILE A 11 -8.830 1.320 1.406 1.00 0.40 H new ATOM 0 HD11 ILE A 11 -11.010 4.560 2.451 1.00 0.96 H new ATOM 0 HD12 ILE A 11 -11.843 3.604 1.202 1.00 0.96 H new ATOM 0 HD13 ILE A 11 -10.805 2.793 2.399 1.00 0.96 H new ATOM 141 N GLN A 12 -6.957 0.842 -1.022 1.00 0.13 N ATOM 142 CA GLN A 12 -6.573 -0.432 -1.599 1.00 0.10 C ATOM 143 C GLN A 12 -6.437 -1.484 -0.512 1.00 0.11 C ATOM 144 O GLN A 12 -6.431 -1.173 0.679 1.00 0.17 O ATOM 145 CB GLN A 12 -5.270 -0.352 -2.417 1.00 0.12 C ATOM 146 CG GLN A 12 -4.278 0.714 -1.984 1.00 0.22 C ATOM 147 CD GLN A 12 -4.482 2.048 -2.683 1.00 0.39 C ATOM 148 OE1 GLN A 12 -4.259 3.098 -2.097 1.00 0.91 O ATOM 149 NE2 GLN A 12 -4.858 2.019 -3.956 1.00 0.35 N ATOM 0 H GLN A 12 -6.465 1.074 -0.159 1.00 0.13 H new ATOM 0 HA GLN A 12 -7.368 -0.714 -2.290 1.00 0.10 H new ATOM 0 HB2 GLN A 12 -4.775 -1.322 -2.370 1.00 0.12 H new ATOM 0 HB3 GLN A 12 -5.530 -0.176 -3.461 1.00 0.12 H new ATOM 0 HG2 GLN A 12 -4.360 0.860 -0.907 1.00 0.22 H new ATOM 0 HG3 GLN A 12 -3.266 0.360 -2.181 1.00 0.22 H new ATOM 0 HE21 GLN A 12 -5.036 1.126 -4.415 1.00 0.35 H new ATOM 0 HE22 GLN A 12 -4.969 2.890 -4.475 1.00 0.35 H new ATOM 158 N CYS A 13 -6.365 -2.729 -0.939 1.00 0.12 N ATOM 159 CA CYS A 13 -6.214 -3.847 -0.036 1.00 0.16 C ATOM 160 C CYS A 13 -4.802 -4.396 -0.127 1.00 0.13 C ATOM 161 O CYS A 13 -4.471 -5.121 -1.065 1.00 0.15 O ATOM 162 CB CYS A 13 -7.227 -4.941 -0.381 1.00 0.25 C ATOM 163 SG CYS A 13 -6.947 -6.503 0.512 1.00 0.34 S ATOM 0 H CYS A 13 -6.410 -2.992 -1.924 1.00 0.12 H new ATOM 0 HA CYS A 13 -6.398 -3.508 0.983 1.00 0.16 H new ATOM 0 HB2 CYS A 13 -8.230 -4.579 -0.157 1.00 0.25 H new ATOM 0 HB3 CYS A 13 -7.190 -5.134 -1.453 1.00 0.25 H new ATOM 168 N CYS A 14 -3.967 -4.038 0.834 1.00 0.12 N ATOM 169 CA CYS A 14 -2.577 -4.455 0.817 1.00 0.12 C ATOM 170 C CYS A 14 -2.415 -5.808 1.476 1.00 0.15 C ATOM 171 O CYS A 14 -2.929 -6.050 2.569 1.00 0.19 O ATOM 172 CB CYS A 14 -1.680 -3.439 1.523 1.00 0.14 C ATOM 173 SG CYS A 14 -1.365 -1.905 0.590 1.00 0.13 S ATOM 0 H CYS A 14 -4.228 -3.461 1.634 1.00 0.12 H new ATOM 0 HA CYS A 14 -2.274 -4.522 -0.228 1.00 0.12 H new ATOM 0 HB2 CYS A 14 -2.135 -3.178 2.478 1.00 0.14 H new ATOM 0 HB3 CYS A 14 -0.724 -3.914 1.745 1.00 0.14 H new ATOM 178 N GLN A 15 -1.701 -6.685 0.795 1.00 0.15 N ATOM 179 CA GLN A 15 -1.425 -8.006 1.307 1.00 0.16 C ATOM 180 C GLN A 15 -0.252 -7.940 2.298 1.00 0.18 C ATOM 181 O GLN A 15 -0.181 -8.719 3.246 1.00 0.23 O ATOM 182 CB GLN A 15 -1.174 -8.964 0.120 1.00 0.17 C ATOM 183 CG GLN A 15 0.247 -9.487 -0.030 1.00 0.23 C ATOM 184 CD GLN A 15 0.596 -10.576 0.971 1.00 0.31 C ATOM 185 OE1 GLN A 15 1.751 -10.723 1.365 1.00 0.38 O ATOM 186 NE2 GLN A 15 -0.400 -11.345 1.386 1.00 0.33 N ATOM 0 H GLN A 15 -1.300 -6.499 -0.124 1.00 0.15 H new ATOM 0 HA GLN A 15 -2.277 -8.399 1.862 1.00 0.16 H new ATOM 0 HB2 GLN A 15 -1.845 -9.817 0.220 1.00 0.17 H new ATOM 0 HB3 GLN A 15 -1.449 -8.449 -0.800 1.00 0.17 H new ATOM 0 HG2 GLN A 15 0.379 -9.876 -1.040 1.00 0.23 H new ATOM 0 HG3 GLN A 15 0.946 -8.659 0.087 1.00 0.23 H new ATOM 0 HE21 GLN A 15 -1.345 -11.190 1.034 1.00 0.33 H new ATOM 0 HE22 GLN A 15 -0.222 -12.092 2.057 1.00 0.33 H new ATOM 195 N ASN A 16 0.650 -6.986 2.084 1.00 0.17 N ATOM 196 CA ASN A 16 1.775 -6.762 2.993 1.00 0.21 C ATOM 197 C ASN A 16 1.950 -5.280 3.282 1.00 0.21 C ATOM 198 O ASN A 16 2.459 -4.542 2.445 1.00 0.40 O ATOM 199 CB ASN A 16 3.080 -7.288 2.398 1.00 0.29 C ATOM 200 CG ASN A 16 3.571 -8.562 3.051 1.00 0.62 C ATOM 201 OD1 ASN A 16 3.326 -8.810 4.232 1.00 1.03 O ATOM 202 ND2 ASN A 16 4.291 -9.369 2.287 1.00 0.75 N ATOM 0 H ASN A 16 0.625 -6.352 1.286 1.00 0.17 H new ATOM 0 HA ASN A 16 1.550 -7.299 3.915 1.00 0.21 H new ATOM 0 HB2 ASN A 16 2.938 -7.467 1.332 1.00 0.29 H new ATOM 0 HB3 ASN A 16 3.849 -6.521 2.493 1.00 0.29 H new ATOM 0 HD21 ASN A 16 4.667 -10.235 2.672 1.00 0.75 H new ATOM 0 HD22 ASN A 16 4.470 -9.124 1.313 1.00 0.75 H new ATOM 209 N VAL A 17 1.537 -4.845 4.458 1.00 0.16 N ATOM 210 CA VAL A 17 1.728 -3.457 4.859 1.00 0.13 C ATOM 211 C VAL A 17 2.988 -3.327 5.699 1.00 0.14 C ATOM 212 O VAL A 17 3.008 -3.685 6.877 1.00 0.18 O ATOM 213 CB VAL A 17 0.524 -2.908 5.647 1.00 0.14 C ATOM 214 CG1 VAL A 17 0.749 -1.452 6.030 1.00 0.17 C ATOM 215 CG2 VAL A 17 -0.746 -3.052 4.831 1.00 0.14 C ATOM 0 H VAL A 17 1.069 -5.427 5.152 1.00 0.16 H new ATOM 0 HA VAL A 17 1.825 -2.867 3.947 1.00 0.13 H new ATOM 0 HB VAL A 17 0.418 -3.488 6.564 1.00 0.14 H new ATOM 0 HG11 VAL A 17 -0.114 -1.084 6.586 1.00 0.17 H new ATOM 0 HG12 VAL A 17 1.641 -1.373 6.651 1.00 0.17 H new ATOM 0 HG13 VAL A 17 0.881 -0.855 5.128 1.00 0.17 H new ATOM 0 HG21 VAL A 17 -1.590 -2.660 5.399 1.00 0.14 H new ATOM 0 HG22 VAL A 17 -0.645 -2.494 3.900 1.00 0.14 H new ATOM 0 HG23 VAL A 17 -0.917 -4.105 4.607 1.00 0.14 H new ATOM 225 N VAL A 18 4.039 -2.822 5.081 1.00 0.12 N ATOM 226 CA VAL A 18 5.335 -2.722 5.726 1.00 0.13 C ATOM 227 C VAL A 18 5.927 -1.331 5.533 1.00 0.12 C ATOM 228 O VAL A 18 5.744 -0.712 4.488 1.00 0.12 O ATOM 229 CB VAL A 18 6.320 -3.774 5.165 1.00 0.13 C ATOM 230 CG1 VAL A 18 5.919 -5.176 5.597 1.00 0.18 C ATOM 231 CG2 VAL A 18 6.396 -3.689 3.646 1.00 0.13 C ATOM 0 H VAL A 18 4.019 -2.471 4.123 1.00 0.12 H new ATOM 0 HA VAL A 18 5.184 -2.908 6.789 1.00 0.13 H new ATOM 0 HB VAL A 18 7.308 -3.558 5.572 1.00 0.13 H new ATOM 0 HG11 VAL A 18 6.627 -5.898 5.190 1.00 0.18 H new ATOM 0 HG12 VAL A 18 5.924 -5.237 6.685 1.00 0.18 H new ATOM 0 HG13 VAL A 18 4.919 -5.399 5.225 1.00 0.18 H new ATOM 0 HG21 VAL A 18 7.095 -4.438 3.274 1.00 0.13 H new ATOM 0 HG22 VAL A 18 5.409 -3.871 3.222 1.00 0.13 H new ATOM 0 HG23 VAL A 18 6.739 -2.696 3.354 1.00 0.13 H new ATOM 241 N PRO A 19 6.612 -0.802 6.556 1.00 0.14 N ATOM 242 CA PRO A 19 7.359 0.447 6.427 1.00 0.15 C ATOM 243 C PRO A 19 8.421 0.344 5.338 1.00 0.12 C ATOM 244 O PRO A 19 9.097 -0.675 5.214 1.00 0.10 O ATOM 245 CB PRO A 19 8.006 0.637 7.803 1.00 0.17 C ATOM 246 CG PRO A 19 7.199 -0.204 8.734 1.00 0.19 C ATOM 247 CD PRO A 19 6.687 -1.359 7.917 1.00 0.17 C ATOM 0 HA PRO A 19 6.722 1.284 6.142 1.00 0.15 H new ATOM 0 HB2 PRO A 19 9.050 0.324 7.794 1.00 0.17 H new ATOM 0 HB3 PRO A 19 7.990 1.684 8.104 1.00 0.17 H new ATOM 0 HG2 PRO A 19 7.807 -0.556 9.567 1.00 0.19 H new ATOM 0 HG3 PRO A 19 6.374 0.368 9.160 1.00 0.19 H new ATOM 0 HD2 PRO A 19 7.360 -2.215 7.965 1.00 0.17 H new ATOM 0 HD3 PRO A 19 5.712 -1.699 8.267 1.00 0.17 H new ATOM 255 N GLY A 20 8.545 1.396 4.539 1.00 0.14 N ATOM 256 CA GLY A 20 9.520 1.403 3.465 1.00 0.13 C ATOM 257 C GLY A 20 10.941 1.354 3.987 1.00 0.14 C ATOM 258 O GLY A 20 11.854 0.926 3.285 1.00 0.18 O ATOM 0 H GLY A 20 7.987 2.246 4.616 1.00 0.14 H new ATOM 0 HA2 GLY A 20 9.345 0.549 2.811 1.00 0.13 H new ATOM 0 HA3 GLY A 20 9.387 2.300 2.860 1.00 0.13 H new ATOM 262 N ASP A 21 11.115 1.796 5.224 1.00 0.17 N ATOM 263 CA ASP A 21 12.407 1.753 5.897 1.00 0.21 C ATOM 264 C ASP A 21 12.502 0.514 6.780 1.00 0.19 C ATOM 265 O ASP A 21 13.452 0.353 7.548 1.00 0.23 O ATOM 266 CB ASP A 21 12.597 3.009 6.752 1.00 0.31 C ATOM 267 CG ASP A 21 11.566 3.111 7.861 1.00 1.23 C ATOM 268 OD1 ASP A 21 11.919 2.877 9.037 1.00 1.22 O ATOM 269 OD2 ASP A 21 10.393 3.418 7.565 1.00 2.27 O ATOM 0 H ASP A 21 10.366 2.194 5.790 1.00 0.17 H new ATOM 0 HA ASP A 21 13.191 1.712 5.141 1.00 0.21 H new ATOM 0 HB2 ASP A 21 13.596 3.002 7.187 1.00 0.31 H new ATOM 0 HB3 ASP A 21 12.532 3.892 6.116 1.00 0.31 H new ATOM 274 N SER A 22 11.511 -0.356 6.668 1.00 0.16 N ATOM 275 CA SER A 22 11.501 -1.596 7.419 1.00 0.17 C ATOM 276 C SER A 22 12.383 -2.621 6.738 1.00 0.16 C ATOM 277 O SER A 22 12.551 -2.584 5.523 1.00 0.14 O ATOM 278 CB SER A 22 10.076 -2.144 7.545 1.00 0.18 C ATOM 279 OG SER A 22 10.057 -3.435 8.128 1.00 0.24 O ATOM 0 H SER A 22 10.702 -0.223 6.061 1.00 0.16 H new ATOM 0 HA SER A 22 11.886 -1.394 8.419 1.00 0.17 H new ATOM 0 HB2 SER A 22 9.477 -1.463 8.150 1.00 0.18 H new ATOM 0 HB3 SER A 22 9.614 -2.184 6.559 1.00 0.18 H new ATOM 0 HG SER A 22 9.132 -3.751 8.194 1.00 0.24 H new ATOM 285 N ASP A 23 12.925 -3.541 7.515 1.00 0.20 N ATOM 286 CA ASP A 23 13.773 -4.596 6.973 1.00 0.22 C ATOM 287 C ASP A 23 13.066 -5.327 5.845 1.00 0.20 C ATOM 288 O ASP A 23 13.683 -5.708 4.849 1.00 0.22 O ATOM 289 CB ASP A 23 14.161 -5.591 8.063 1.00 0.29 C ATOM 290 CG ASP A 23 15.292 -5.089 8.931 1.00 0.59 C ATOM 291 OD1 ASP A 23 15.014 -4.485 9.986 1.00 1.06 O ATOM 292 OD2 ASP A 23 16.467 -5.293 8.566 1.00 0.61 O ATOM 0 H ASP A 23 12.795 -3.582 8.526 1.00 0.20 H new ATOM 0 HA ASP A 23 14.677 -4.129 6.582 1.00 0.22 H new ATOM 0 HB2 ASP A 23 13.292 -5.797 8.688 1.00 0.29 H new ATOM 0 HB3 ASP A 23 14.453 -6.534 7.602 1.00 0.29 H new ATOM 297 N LEU A 24 11.766 -5.511 6.005 1.00 0.20 N ATOM 298 CA LEU A 24 10.954 -6.099 4.956 1.00 0.21 C ATOM 299 C LEU A 24 10.805 -5.133 3.792 1.00 0.17 C ATOM 300 O LEU A 24 11.326 -5.378 2.709 1.00 0.18 O ATOM 301 CB LEU A 24 9.575 -6.487 5.491 1.00 0.26 C ATOM 302 CG LEU A 24 9.397 -7.965 5.838 1.00 0.35 C ATOM 303 CD1 LEU A 24 9.544 -8.823 4.590 1.00 1.03 C ATOM 304 CD2 LEU A 24 10.394 -8.395 6.903 1.00 1.11 C ATOM 0 H LEU A 24 11.252 -5.262 6.850 1.00 0.20 H new ATOM 0 HA LEU A 24 11.458 -7.000 4.605 1.00 0.21 H new ATOM 0 HB2 LEU A 24 9.371 -5.895 6.383 1.00 0.26 H new ATOM 0 HB3 LEU A 24 8.826 -6.213 4.748 1.00 0.26 H new ATOM 0 HG LEU A 24 8.393 -8.104 6.239 1.00 0.35 H new ATOM 0 HD11 LEU A 24 9.415 -9.873 4.853 1.00 1.03 H new ATOM 0 HD12 LEU A 24 8.787 -8.536 3.860 1.00 1.03 H new ATOM 0 HD13 LEU A 24 10.536 -8.676 4.162 1.00 1.03 H new ATOM 0 HD21 LEU A 24 10.248 -9.450 7.133 1.00 1.11 H new ATOM 0 HD22 LEU A 24 11.408 -8.241 6.535 1.00 1.11 H new ATOM 0 HD23 LEU A 24 10.241 -7.802 7.805 1.00 1.11 H new ATOM 316 N GLY A 25 10.123 -4.018 4.044 1.00 0.14 N ATOM 317 CA GLY A 25 9.811 -3.063 2.992 1.00 0.12 C ATOM 318 C GLY A 25 11.025 -2.623 2.198 1.00 0.12 C ATOM 319 O GLY A 25 10.962 -2.510 0.975 1.00 0.16 O ATOM 0 H GLY A 25 9.778 -3.757 4.968 1.00 0.14 H new ATOM 0 HA2 GLY A 25 9.083 -3.507 2.313 1.00 0.12 H new ATOM 0 HA3 GLY A 25 9.339 -2.186 3.436 1.00 0.12 H new ATOM 323 N THR A 26 12.136 -2.412 2.886 1.00 0.13 N ATOM 324 CA THR A 26 13.352 -1.930 2.252 1.00 0.16 C ATOM 325 C THR A 26 13.931 -2.989 1.327 1.00 0.20 C ATOM 326 O THR A 26 14.299 -2.701 0.188 1.00 0.24 O ATOM 327 CB THR A 26 14.405 -1.521 3.304 1.00 0.18 C ATOM 328 OG1 THR A 26 13.858 -0.535 4.187 1.00 0.20 O ATOM 329 CG2 THR A 26 15.654 -0.958 2.654 1.00 0.23 C ATOM 0 H THR A 26 12.220 -2.568 3.890 1.00 0.13 H new ATOM 0 HA THR A 26 13.091 -1.050 1.664 1.00 0.16 H new ATOM 0 HB THR A 26 14.676 -2.418 3.861 1.00 0.18 H new ATOM 0 HG1 THR A 26 13.316 0.099 3.673 1.00 0.20 H new ATOM 0 HG21 THR A 26 16.372 -0.681 3.426 1.00 0.23 H new ATOM 0 HG22 THR A 26 16.095 -1.711 2.001 1.00 0.23 H new ATOM 0 HG23 THR A 26 15.393 -0.077 2.068 1.00 0.23 H new ATOM 337 N LEU A 27 13.978 -4.221 1.811 1.00 0.21 N ATOM 338 CA LEU A 27 14.487 -5.329 1.021 1.00 0.28 C ATOM 339 C LEU A 27 13.558 -5.577 -0.160 1.00 0.29 C ATOM 340 O LEU A 27 14.002 -5.881 -1.268 1.00 0.34 O ATOM 341 CB LEU A 27 14.584 -6.585 1.896 1.00 0.33 C ATOM 342 CG LEU A 27 15.790 -7.498 1.639 1.00 0.57 C ATOM 343 CD1 LEU A 27 15.785 -8.031 0.215 1.00 1.01 C ATOM 344 CD2 LEU A 27 17.088 -6.759 1.928 1.00 1.00 C ATOM 0 H LEU A 27 13.669 -4.478 2.749 1.00 0.21 H new ATOM 0 HA LEU A 27 15.481 -5.086 0.646 1.00 0.28 H new ATOM 0 HB2 LEU A 27 14.606 -6.274 2.940 1.00 0.33 H new ATOM 0 HB3 LEU A 27 13.675 -7.171 1.757 1.00 0.33 H new ATOM 0 HG LEU A 27 15.715 -8.350 2.315 1.00 0.57 H new ATOM 0 HD11 LEU A 27 16.652 -8.674 0.064 1.00 1.01 H new ATOM 0 HD12 LEU A 27 14.874 -8.604 0.044 1.00 1.01 H new ATOM 0 HD13 LEU A 27 15.826 -7.197 -0.486 1.00 1.01 H new ATOM 0 HD21 LEU A 27 17.933 -7.421 1.741 1.00 1.00 H new ATOM 0 HD22 LEU A 27 17.161 -5.885 1.281 1.00 1.00 H new ATOM 0 HD23 LEU A 27 17.101 -6.440 2.970 1.00 1.00 H new ATOM 356 N LEU A 28 12.263 -5.407 0.077 1.00 0.27 N ATOM 357 CA LEU A 28 11.266 -5.646 -0.952 1.00 0.31 C ATOM 358 C LEU A 28 11.408 -4.627 -2.072 1.00 0.32 C ATOM 359 O LEU A 28 11.476 -4.987 -3.247 1.00 0.37 O ATOM 360 CB LEU A 28 9.843 -5.583 -0.378 1.00 0.31 C ATOM 361 CG LEU A 28 9.533 -6.550 0.774 1.00 0.31 C ATOM 362 CD1 LEU A 28 8.032 -6.649 0.995 1.00 0.34 C ATOM 363 CD2 LEU A 28 10.137 -7.920 0.513 1.00 0.37 C ATOM 0 H LEU A 28 11.882 -5.105 0.973 1.00 0.27 H new ATOM 0 HA LEU A 28 11.434 -6.648 -1.348 1.00 0.31 H new ATOM 0 HB2 LEU A 28 9.658 -4.566 -0.031 1.00 0.31 H new ATOM 0 HB3 LEU A 28 9.138 -5.777 -1.187 1.00 0.31 H new ATOM 0 HG LEU A 28 9.987 -6.156 1.683 1.00 0.31 H new ATOM 0 HD11 LEU A 28 7.830 -7.338 1.815 1.00 0.34 H new ATOM 0 HD12 LEU A 28 7.635 -5.664 1.242 1.00 0.34 H new ATOM 0 HD13 LEU A 28 7.554 -7.015 0.087 1.00 0.34 H new ATOM 0 HD21 LEU A 28 9.903 -8.585 1.344 1.00 0.37 H new ATOM 0 HD22 LEU A 28 9.723 -8.330 -0.408 1.00 0.37 H new ATOM 0 HD23 LEU A 28 11.219 -7.828 0.416 1.00 0.37 H new ATOM 375 N LEU A 29 11.485 -3.355 -1.706 1.00 0.30 N ATOM 376 CA LEU A 29 11.515 -2.292 -2.695 1.00 0.32 C ATOM 377 C LEU A 29 12.865 -2.212 -3.391 1.00 0.36 C ATOM 378 O LEU A 29 12.956 -1.738 -4.522 1.00 0.41 O ATOM 379 CB LEU A 29 11.125 -0.945 -2.063 1.00 0.30 C ATOM 380 CG LEU A 29 12.033 -0.383 -0.957 1.00 0.29 C ATOM 381 CD1 LEU A 29 13.320 0.205 -1.519 1.00 0.31 C ATOM 382 CD2 LEU A 29 11.284 0.681 -0.183 1.00 0.31 C ATOM 0 H LEU A 29 11.527 -3.038 -0.738 1.00 0.30 H new ATOM 0 HA LEU A 29 10.775 -2.529 -3.460 1.00 0.32 H new ATOM 0 HB2 LEU A 29 11.071 -0.204 -2.861 1.00 0.30 H new ATOM 0 HB3 LEU A 29 10.120 -1.046 -1.653 1.00 0.30 H new ATOM 0 HG LEU A 29 12.307 -1.208 -0.299 1.00 0.29 H new ATOM 0 HD11 LEU A 29 13.931 0.590 -0.703 1.00 0.31 H new ATOM 0 HD12 LEU A 29 13.872 -0.570 -2.051 1.00 0.31 H new ATOM 0 HD13 LEU A 29 13.080 1.016 -2.206 1.00 0.31 H new ATOM 0 HD21 LEU A 29 11.927 1.080 0.602 1.00 0.31 H new ATOM 0 HD22 LEU A 29 10.993 1.486 -0.859 1.00 0.31 H new ATOM 0 HD23 LEU A 29 10.392 0.244 0.266 1.00 0.31 H new ATOM 394 N ASP A 30 13.909 -2.669 -2.718 1.00 0.34 N ATOM 395 CA ASP A 30 15.233 -2.717 -3.326 1.00 0.39 C ATOM 396 C ASP A 30 15.229 -3.709 -4.471 1.00 0.43 C ATOM 397 O ASP A 30 15.878 -3.513 -5.498 1.00 0.49 O ATOM 398 CB ASP A 30 16.292 -3.128 -2.305 1.00 0.41 C ATOM 399 CG ASP A 30 17.695 -2.992 -2.860 1.00 0.54 C ATOM 400 OD1 ASP A 30 18.353 -4.031 -3.081 1.00 0.66 O ATOM 401 OD2 ASP A 30 18.148 -1.848 -3.079 1.00 0.63 O ATOM 0 H ASP A 30 13.868 -3.010 -1.758 1.00 0.34 H new ATOM 0 HA ASP A 30 15.476 -1.721 -3.695 1.00 0.39 H new ATOM 0 HB2 ASP A 30 16.194 -2.511 -1.412 1.00 0.41 H new ATOM 0 HB3 ASP A 30 16.121 -4.160 -2.000 1.00 0.41 H new ATOM 406 N GLU A 31 14.452 -4.762 -4.287 1.00 0.43 N ATOM 407 CA GLU A 31 14.338 -5.816 -5.272 1.00 0.49 C ATOM 408 C GLU A 31 13.407 -5.366 -6.389 1.00 0.51 C ATOM 409 O GLU A 31 13.606 -5.684 -7.560 1.00 0.62 O ATOM 410 CB GLU A 31 13.793 -7.078 -4.598 1.00 0.52 C ATOM 411 CG GLU A 31 14.543 -8.345 -4.965 1.00 0.97 C ATOM 412 CD GLU A 31 14.501 -8.641 -6.447 1.00 1.46 C ATOM 413 OE1 GLU A 31 13.406 -8.944 -6.965 1.00 1.76 O ATOM 414 OE2 GLU A 31 15.566 -8.584 -7.101 1.00 2.07 O ATOM 0 H GLU A 31 13.885 -4.908 -3.452 1.00 0.43 H new ATOM 0 HA GLU A 31 15.317 -6.036 -5.698 1.00 0.49 H new ATOM 0 HB2 GLU A 31 13.831 -6.946 -3.517 1.00 0.52 H new ATOM 0 HB3 GLU A 31 12.744 -7.198 -4.868 1.00 0.52 H new ATOM 0 HG2 GLU A 31 15.581 -8.252 -4.647 1.00 0.97 H new ATOM 0 HG3 GLU A 31 14.116 -9.186 -4.419 1.00 0.97 H new ATOM 421 N LEU A 32 12.405 -4.593 -6.005 1.00 0.52 N ATOM 422 CA LEU A 32 11.391 -4.113 -6.929 1.00 0.58 C ATOM 423 C LEU A 32 11.852 -2.872 -7.692 1.00 0.61 C ATOM 424 O LEU A 32 11.207 -2.443 -8.651 1.00 0.71 O ATOM 425 CB LEU A 32 10.110 -3.811 -6.157 1.00 0.56 C ATOM 426 CG LEU A 32 9.394 -5.035 -5.583 1.00 0.57 C ATOM 427 CD1 LEU A 32 8.160 -4.611 -4.804 1.00 0.57 C ATOM 428 CD2 LEU A 32 9.023 -6.008 -6.694 1.00 0.64 C ATOM 0 H LEU A 32 12.271 -4.280 -5.043 1.00 0.52 H new ATOM 0 HA LEU A 32 11.207 -4.894 -7.667 1.00 0.58 H new ATOM 0 HB2 LEU A 32 10.349 -3.132 -5.338 1.00 0.56 H new ATOM 0 HB3 LEU A 32 9.422 -3.284 -6.818 1.00 0.56 H new ATOM 0 HG LEU A 32 10.073 -5.544 -4.899 1.00 0.57 H new ATOM 0 HD11 LEU A 32 7.662 -5.494 -4.402 1.00 0.57 H new ATOM 0 HD12 LEU A 32 8.455 -3.956 -3.984 1.00 0.57 H new ATOM 0 HD13 LEU A 32 7.477 -4.079 -5.466 1.00 0.57 H new ATOM 0 HD21 LEU A 32 8.515 -6.872 -6.266 1.00 0.64 H new ATOM 0 HD22 LEU A 32 8.361 -5.513 -7.405 1.00 0.64 H new ATOM 0 HD23 LEU A 32 9.927 -6.336 -7.207 1.00 0.64 H new ATOM 440 N GLY A 33 12.970 -2.304 -7.253 1.00 0.57 N ATOM 441 CA GLY A 33 13.537 -1.143 -7.915 1.00 0.62 C ATOM 442 C GLY A 33 12.749 0.123 -7.648 1.00 0.63 C ATOM 443 O GLY A 33 12.432 0.868 -8.572 1.00 0.75 O ATOM 0 H GLY A 33 13.498 -2.630 -6.443 1.00 0.57 H new ATOM 0 HA2 GLY A 33 14.565 -1.004 -7.580 1.00 0.62 H new ATOM 0 HA3 GLY A 33 13.574 -1.324 -8.989 1.00 0.62 H new ATOM 447 N ILE A 34 12.426 0.365 -6.385 1.00 0.54 N ATOM 448 CA ILE A 34 11.653 1.540 -6.009 1.00 0.58 C ATOM 449 C ILE A 34 12.526 2.532 -5.252 1.00 0.65 C ATOM 450 O ILE A 34 13.343 2.142 -4.418 1.00 0.68 O ATOM 451 CB ILE A 34 10.457 1.164 -5.109 1.00 0.51 C ATOM 452 CG1 ILE A 34 9.768 -0.100 -5.631 1.00 0.55 C ATOM 453 CG2 ILE A 34 9.464 2.317 -5.043 1.00 0.58 C ATOM 454 CD1 ILE A 34 8.745 -0.668 -4.675 1.00 0.56 C ATOM 0 H ILE A 34 12.687 -0.237 -5.604 1.00 0.54 H new ATOM 0 HA ILE A 34 11.284 1.988 -6.931 1.00 0.58 H new ATOM 0 HB ILE A 34 10.830 0.964 -4.104 1.00 0.51 H new ATOM 0 HG12 ILE A 34 9.281 0.127 -6.579 1.00 0.55 H new ATOM 0 HG13 ILE A 34 10.524 -0.859 -5.834 1.00 0.55 H new ATOM 0 HG21 ILE A 34 8.625 2.039 -4.405 1.00 0.58 H new ATOM 0 HG22 ILE A 34 9.956 3.198 -4.631 1.00 0.58 H new ATOM 0 HG23 ILE A 34 9.099 2.541 -6.045 1.00 0.58 H new ATOM 0 HD11 ILE A 34 8.297 -1.562 -5.110 1.00 0.56 H new ATOM 0 HD12 ILE A 34 9.231 -0.927 -3.734 1.00 0.56 H new ATOM 0 HD13 ILE A 34 7.968 0.074 -4.490 1.00 0.56 H new ATOM 466 N VAL A 35 12.358 3.810 -5.550 1.00 0.77 N ATOM 467 CA VAL A 35 13.041 4.859 -4.816 1.00 0.89 C ATOM 468 C VAL A 35 12.023 5.847 -4.239 1.00 0.74 C ATOM 469 O VAL A 35 11.417 6.640 -4.962 1.00 0.90 O ATOM 470 CB VAL A 35 14.092 5.585 -5.693 1.00 1.24 C ATOM 471 CG1 VAL A 35 13.478 6.132 -6.976 1.00 1.84 C ATOM 472 CG2 VAL A 35 14.777 6.691 -4.904 1.00 1.87 C ATOM 0 H VAL A 35 11.752 4.145 -6.298 1.00 0.77 H new ATOM 0 HA VAL A 35 13.583 4.396 -3.992 1.00 0.89 H new ATOM 0 HB VAL A 35 14.843 4.850 -5.982 1.00 1.24 H new ATOM 0 HG11 VAL A 35 14.248 6.634 -7.563 1.00 1.84 H new ATOM 0 HG12 VAL A 35 13.057 5.311 -7.556 1.00 1.84 H new ATOM 0 HG13 VAL A 35 12.690 6.843 -6.728 1.00 1.84 H new ATOM 0 HG21 VAL A 35 15.511 7.189 -5.537 1.00 1.87 H new ATOM 0 HG22 VAL A 35 14.033 7.416 -4.572 1.00 1.87 H new ATOM 0 HG23 VAL A 35 15.278 6.262 -4.036 1.00 1.87 H new ATOM 482 N LEU A 36 11.808 5.760 -2.935 1.00 0.70 N ATOM 483 CA LEU A 36 10.838 6.607 -2.261 1.00 0.66 C ATOM 484 C LEU A 36 11.422 7.978 -1.958 1.00 0.68 C ATOM 485 O LEU A 36 12.605 8.111 -1.639 1.00 0.84 O ATOM 486 CB LEU A 36 10.409 5.941 -0.960 1.00 0.86 C ATOM 487 CG LEU A 36 9.875 4.523 -1.106 1.00 1.90 C ATOM 488 CD1 LEU A 36 9.870 3.832 0.240 1.00 2.62 C ATOM 489 CD2 LEU A 36 8.483 4.544 -1.704 1.00 2.76 C ATOM 0 H LEU A 36 12.295 5.108 -2.321 1.00 0.70 H new ATOM 0 HA LEU A 36 9.979 6.739 -2.919 1.00 0.66 H new ATOM 0 HB2 LEU A 36 11.261 5.924 -0.281 1.00 0.86 H new ATOM 0 HB3 LEU A 36 9.640 6.556 -0.491 1.00 0.86 H new ATOM 0 HG LEU A 36 10.526 3.966 -1.780 1.00 1.90 H new ATOM 0 HD11 LEU A 36 9.487 2.818 0.127 1.00 2.62 H new ATOM 0 HD12 LEU A 36 10.886 3.794 0.633 1.00 2.62 H new ATOM 0 HD13 LEU A 36 9.234 4.385 0.931 1.00 2.62 H new ATOM 0 HD21 LEU A 36 8.114 3.523 -1.803 1.00 2.76 H new ATOM 0 HD22 LEU A 36 7.816 5.110 -1.054 1.00 2.76 H new ATOM 0 HD23 LEU A 36 8.516 5.014 -2.687 1.00 2.76 H new ATOM 501 N GLU A 37 10.578 8.995 -2.058 1.00 0.72 N ATOM 502 CA GLU A 37 10.962 10.348 -1.695 1.00 0.84 C ATOM 503 C GLU A 37 10.901 10.501 -0.181 1.00 0.76 C ATOM 504 O GLU A 37 11.526 11.388 0.399 1.00 0.88 O ATOM 505 CB GLU A 37 10.039 11.360 -2.373 1.00 1.02 C ATOM 506 CG GLU A 37 10.074 11.285 -3.891 1.00 1.42 C ATOM 507 CD GLU A 37 11.459 11.533 -4.453 1.00 2.06 C ATOM 508 OE1 GLU A 37 11.867 12.707 -4.556 1.00 2.65 O ATOM 509 OE2 GLU A 37 12.153 10.549 -4.791 1.00 2.58 O ATOM 0 H GLU A 37 9.618 8.906 -2.390 1.00 0.72 H new ATOM 0 HA GLU A 37 11.981 10.537 -2.032 1.00 0.84 H new ATOM 0 HB2 GLU A 37 9.017 11.195 -2.032 1.00 1.02 H new ATOM 0 HB3 GLU A 37 10.321 12.365 -2.059 1.00 1.02 H new ATOM 0 HG2 GLU A 37 9.726 10.303 -4.211 1.00 1.42 H new ATOM 0 HG3 GLU A 37 9.381 12.018 -4.304 1.00 1.42 H new ATOM 516 N ASP A 38 10.136 9.618 0.443 1.00 0.61 N ATOM 517 CA ASP A 38 10.056 9.527 1.883 1.00 0.54 C ATOM 518 C ASP A 38 10.056 8.056 2.253 1.00 0.41 C ATOM 519 O ASP A 38 9.033 7.383 2.144 1.00 0.39 O ATOM 520 CB ASP A 38 8.789 10.208 2.408 1.00 0.60 C ATOM 521 CG ASP A 38 8.681 10.153 3.921 1.00 1.20 C ATOM 522 OD1 ASP A 38 9.002 11.161 4.581 1.00 1.20 O ATOM 523 OD2 ASP A 38 8.270 9.108 4.460 1.00 2.29 O ATOM 0 H ASP A 38 9.550 8.941 -0.045 1.00 0.61 H new ATOM 0 HA ASP A 38 10.907 10.036 2.335 1.00 0.54 H new ATOM 0 HB2 ASP A 38 8.780 11.249 2.084 1.00 0.60 H new ATOM 0 HB3 ASP A 38 7.914 9.729 1.967 1.00 0.60 H new ATOM 528 N PRO A 39 11.212 7.520 2.656 1.00 0.41 N ATOM 529 CA PRO A 39 11.353 6.093 2.943 1.00 0.40 C ATOM 530 C PRO A 39 10.624 5.681 4.213 1.00 0.32 C ATOM 531 O PRO A 39 10.595 4.508 4.567 1.00 0.35 O ATOM 532 CB PRO A 39 12.862 5.911 3.108 1.00 0.57 C ATOM 533 CG PRO A 39 13.359 7.248 3.539 1.00 0.64 C ATOM 534 CD PRO A 39 12.475 8.256 2.859 1.00 0.57 C ATOM 0 HA PRO A 39 10.919 5.476 2.156 1.00 0.40 H new ATOM 0 HB2 PRO A 39 13.090 5.146 3.850 1.00 0.57 H new ATOM 0 HB3 PRO A 39 13.328 5.598 2.174 1.00 0.57 H new ATOM 0 HG2 PRO A 39 13.308 7.353 4.623 1.00 0.64 H new ATOM 0 HG3 PRO A 39 14.402 7.388 3.254 1.00 0.64 H new ATOM 0 HD2 PRO A 39 12.329 9.143 3.475 1.00 0.57 H new ATOM 0 HD3 PRO A 39 12.901 8.592 1.914 1.00 0.57 H new ATOM 542 N THR A 40 10.010 6.643 4.876 1.00 0.30 N ATOM 543 CA THR A 40 9.345 6.377 6.139 1.00 0.31 C ATOM 544 C THR A 40 7.836 6.261 5.956 1.00 0.28 C ATOM 545 O THR A 40 7.063 6.417 6.905 1.00 0.48 O ATOM 546 CB THR A 40 9.687 7.448 7.194 1.00 0.42 C ATOM 547 OG1 THR A 40 9.561 8.764 6.640 1.00 0.51 O ATOM 548 CG2 THR A 40 11.103 7.253 7.707 1.00 0.49 C ATOM 0 H THR A 40 9.958 7.612 4.563 1.00 0.30 H new ATOM 0 HA THR A 40 9.715 5.419 6.504 1.00 0.31 H new ATOM 0 HB THR A 40 8.985 7.341 8.021 1.00 0.42 H new ATOM 0 HG1 THR A 40 8.858 8.766 5.958 1.00 0.51 H new ATOM 0 HG21 THR A 40 11.329 8.017 8.451 1.00 0.49 H new ATOM 0 HG22 THR A 40 11.193 6.266 8.161 1.00 0.49 H new ATOM 0 HG23 THR A 40 11.805 7.336 6.877 1.00 0.49 H new ATOM 556 N VAL A 41 7.419 5.998 4.726 1.00 0.20 N ATOM 557 CA VAL A 41 6.017 5.750 4.433 1.00 0.17 C ATOM 558 C VAL A 41 5.728 4.257 4.486 1.00 0.14 C ATOM 559 O VAL A 41 6.644 3.433 4.424 1.00 0.15 O ATOM 560 CB VAL A 41 5.607 6.288 3.043 1.00 0.20 C ATOM 561 CG1 VAL A 41 5.822 7.788 2.957 1.00 0.24 C ATOM 562 CG2 VAL A 41 6.362 5.575 1.930 1.00 0.23 C ATOM 0 H VAL A 41 8.034 5.951 3.914 1.00 0.20 H new ATOM 0 HA VAL A 41 5.436 6.278 5.189 1.00 0.17 H new ATOM 0 HB VAL A 41 4.544 6.086 2.912 1.00 0.20 H new ATOM 0 HG11 VAL A 41 5.526 8.142 1.969 1.00 0.24 H new ATOM 0 HG12 VAL A 41 5.219 8.286 3.717 1.00 0.24 H new ATOM 0 HG13 VAL A 41 6.875 8.015 3.123 1.00 0.24 H new ATOM 0 HG21 VAL A 41 6.052 5.976 0.965 1.00 0.23 H new ATOM 0 HG22 VAL A 41 7.433 5.730 2.060 1.00 0.23 H new ATOM 0 HG23 VAL A 41 6.143 4.508 1.967 1.00 0.23 H new ATOM 572 N LEU A 42 4.460 3.911 4.614 1.00 0.14 N ATOM 573 CA LEU A 42 4.050 2.519 4.591 1.00 0.14 C ATOM 574 C LEU A 42 3.799 2.075 3.164 1.00 0.12 C ATOM 575 O LEU A 42 2.968 2.657 2.462 1.00 0.15 O ATOM 576 CB LEU A 42 2.786 2.309 5.430 1.00 0.16 C ATOM 577 CG LEU A 42 2.952 2.516 6.935 1.00 0.17 C ATOM 578 CD1 LEU A 42 1.608 2.417 7.639 1.00 0.20 C ATOM 579 CD2 LEU A 42 3.924 1.493 7.506 1.00 0.22 C ATOM 0 H LEU A 42 3.696 4.576 4.735 1.00 0.14 H new ATOM 0 HA LEU A 42 4.853 1.919 5.019 1.00 0.14 H new ATOM 0 HB2 LEU A 42 2.015 2.990 5.070 1.00 0.16 H new ATOM 0 HB3 LEU A 42 2.421 1.296 5.258 1.00 0.16 H new ATOM 0 HG LEU A 42 3.357 3.514 7.103 1.00 0.17 H new ATOM 0 HD11 LEU A 42 1.746 2.567 8.710 1.00 0.20 H new ATOM 0 HD12 LEU A 42 0.936 3.182 7.249 1.00 0.20 H new ATOM 0 HD13 LEU A 42 1.177 1.431 7.463 1.00 0.20 H new ATOM 0 HD21 LEU A 42 4.032 1.653 8.579 1.00 0.22 H new ATOM 0 HD22 LEU A 42 3.542 0.488 7.326 1.00 0.22 H new ATOM 0 HD23 LEU A 42 4.895 1.604 7.023 1.00 0.22 H new ATOM 591 N ILE A 43 4.534 1.066 2.732 1.00 0.11 N ATOM 592 CA ILE A 43 4.339 0.504 1.411 1.00 0.10 C ATOM 593 C ILE A 43 3.592 -0.814 1.510 1.00 0.11 C ATOM 594 O ILE A 43 3.848 -1.624 2.403 1.00 0.15 O ATOM 595 CB ILE A 43 5.662 0.308 0.636 1.00 0.11 C ATOM 596 CG1 ILE A 43 6.720 -0.377 1.502 1.00 0.11 C ATOM 597 CG2 ILE A 43 6.173 1.645 0.123 1.00 0.13 C ATOM 598 CD1 ILE A 43 7.969 -0.753 0.734 1.00 0.14 C ATOM 0 H ILE A 43 5.271 0.620 3.278 1.00 0.11 H new ATOM 0 HA ILE A 43 3.747 1.225 0.846 1.00 0.10 H new ATOM 0 HB ILE A 43 5.461 -0.343 -0.215 1.00 0.11 H new ATOM 0 HG12 ILE A 43 6.992 0.286 2.323 1.00 0.11 H new ATOM 0 HG13 ILE A 43 6.291 -1.275 1.946 1.00 0.11 H new ATOM 0 HG21 ILE A 43 7.105 1.494 -0.421 1.00 0.13 H new ATOM 0 HG22 ILE A 43 5.432 2.087 -0.543 1.00 0.13 H new ATOM 0 HG23 ILE A 43 6.349 2.315 0.965 1.00 0.13 H new ATOM 0 HD11 ILE A 43 8.679 -1.235 1.407 1.00 0.14 H new ATOM 0 HD12 ILE A 43 7.708 -1.440 -0.071 1.00 0.14 H new ATOM 0 HD13 ILE A 43 8.421 0.145 0.312 1.00 0.14 H new ATOM 610 N GLY A 44 2.656 -1.014 0.604 1.00 0.13 N ATOM 611 CA GLY A 44 1.818 -2.185 0.662 1.00 0.16 C ATOM 612 C GLY A 44 2.004 -3.109 -0.515 1.00 0.17 C ATOM 613 O GLY A 44 1.572 -2.805 -1.622 1.00 0.31 O ATOM 0 H GLY A 44 2.461 -0.384 -0.174 1.00 0.13 H new ATOM 0 HA2 GLY A 44 2.031 -2.731 1.581 1.00 0.16 H new ATOM 0 HA3 GLY A 44 0.774 -1.875 0.710 1.00 0.16 H new ATOM 617 N ASP A 45 2.643 -4.241 -0.282 1.00 0.18 N ATOM 618 CA ASP A 45 2.775 -5.256 -1.318 1.00 0.20 C ATOM 619 C ASP A 45 1.443 -5.954 -1.478 1.00 0.20 C ATOM 620 O ASP A 45 0.706 -6.107 -0.505 1.00 0.29 O ATOM 621 CB ASP A 45 3.831 -6.300 -0.955 1.00 0.32 C ATOM 622 CG ASP A 45 4.208 -7.183 -2.129 1.00 0.30 C ATOM 623 OD1 ASP A 45 5.252 -6.921 -2.768 1.00 0.42 O ATOM 624 OD2 ASP A 45 3.457 -8.126 -2.434 1.00 0.57 O ATOM 0 H ASP A 45 3.077 -4.482 0.609 1.00 0.18 H new ATOM 0 HA ASP A 45 3.082 -4.766 -2.242 1.00 0.20 H new ATOM 0 HB2 ASP A 45 4.723 -5.795 -0.584 1.00 0.32 H new ATOM 0 HB3 ASP A 45 3.456 -6.923 -0.143 1.00 0.32 H new ATOM 629 N GLY A 46 1.126 -6.363 -2.688 1.00 0.18 N ATOM 630 CA GLY A 46 -0.096 -7.108 -2.900 1.00 0.21 C ATOM 631 C GLY A 46 -1.325 -6.266 -2.660 1.00 0.18 C ATOM 632 O GLY A 46 -2.323 -6.746 -2.130 1.00 0.18 O ATOM 0 H GLY A 46 1.685 -6.197 -3.525 1.00 0.18 H new ATOM 0 HA2 GLY A 46 -0.114 -7.491 -3.920 1.00 0.21 H new ATOM 0 HA3 GLY A 46 -0.113 -7.971 -2.235 1.00 0.21 H new ATOM 636 N CYS A 47 -1.249 -5.007 -3.039 1.00 0.17 N ATOM 637 CA CYS A 47 -2.314 -4.072 -2.757 1.00 0.15 C ATOM 638 C CYS A 47 -3.182 -3.871 -3.977 1.00 0.19 C ATOM 639 O CYS A 47 -2.749 -3.315 -4.988 1.00 0.25 O ATOM 640 CB CYS A 47 -1.740 -2.741 -2.299 1.00 0.15 C ATOM 641 SG CYS A 47 -2.677 -1.960 -0.952 1.00 0.12 S ATOM 0 H CYS A 47 -0.458 -4.609 -3.544 1.00 0.17 H new ATOM 0 HA CYS A 47 -2.930 -4.484 -1.957 1.00 0.15 H new ATOM 0 HB2 CYS A 47 -0.711 -2.893 -1.972 1.00 0.15 H new ATOM 0 HB3 CYS A 47 -1.707 -2.059 -3.149 1.00 0.15 H new ATOM 646 N ASP A 48 -4.401 -4.354 -3.891 1.00 0.19 N ATOM 647 CA ASP A 48 -5.352 -4.193 -4.977 1.00 0.24 C ATOM 648 C ASP A 48 -6.323 -3.072 -4.651 1.00 0.21 C ATOM 649 O ASP A 48 -6.864 -3.009 -3.548 1.00 0.19 O ATOM 650 CB ASP A 48 -6.103 -5.499 -5.262 1.00 0.30 C ATOM 651 CG ASP A 48 -7.266 -5.770 -4.326 1.00 1.50 C ATOM 652 OD1 ASP A 48 -8.428 -5.605 -4.745 1.00 2.21 O ATOM 653 OD2 ASP A 48 -7.015 -6.120 -3.150 1.00 2.02 O ATOM 0 H ASP A 48 -4.761 -4.862 -3.083 1.00 0.19 H new ATOM 0 HA ASP A 48 -4.800 -3.932 -5.880 1.00 0.24 H new ATOM 0 HB2 ASP A 48 -6.475 -5.474 -6.286 1.00 0.30 H new ATOM 0 HB3 ASP A 48 -5.400 -6.330 -5.198 1.00 0.30 H new ATOM 658 N PRO A 49 -6.516 -2.141 -5.587 1.00 0.26 N ATOM 659 CA PRO A 49 -7.470 -1.052 -5.414 1.00 0.28 C ATOM 660 C PRO A 49 -8.872 -1.591 -5.179 1.00 0.31 C ATOM 661 O PRO A 49 -9.434 -2.274 -6.038 1.00 0.37 O ATOM 662 CB PRO A 49 -7.409 -0.286 -6.739 1.00 0.35 C ATOM 663 CG PRO A 49 -6.144 -0.714 -7.401 1.00 0.44 C ATOM 664 CD PRO A 49 -5.820 -2.082 -6.876 1.00 0.34 C ATOM 0 HA PRO A 49 -7.233 -0.427 -4.553 1.00 0.28 H new ATOM 0 HB2 PRO A 49 -8.273 -0.515 -7.363 1.00 0.35 H new ATOM 0 HB3 PRO A 49 -7.416 0.791 -6.568 1.00 0.35 H new ATOM 0 HG2 PRO A 49 -6.262 -0.734 -8.484 1.00 0.44 H new ATOM 0 HG3 PRO A 49 -5.337 -0.015 -7.181 1.00 0.44 H new ATOM 0 HD2 PRO A 49 -6.167 -2.862 -7.553 1.00 0.34 H new ATOM 0 HD3 PRO A 49 -4.745 -2.219 -6.756 1.00 0.34 H new ATOM 672 N ILE A 50 -9.435 -1.288 -4.020 1.00 0.30 N ATOM 673 CA ILE A 50 -10.762 -1.764 -3.690 1.00 0.36 C ATOM 674 C ILE A 50 -11.780 -0.878 -4.384 1.00 0.43 C ATOM 675 O ILE A 50 -11.911 0.300 -4.063 1.00 0.46 O ATOM 676 CB ILE A 50 -11.023 -1.778 -2.168 1.00 0.36 C ATOM 677 CG1 ILE A 50 -9.794 -2.295 -1.427 1.00 0.29 C ATOM 678 CG2 ILE A 50 -12.217 -2.664 -1.850 1.00 0.44 C ATOM 679 CD1 ILE A 50 -9.951 -2.311 0.079 1.00 0.31 C ATOM 0 H ILE A 50 -8.994 -0.718 -3.298 1.00 0.30 H new ATOM 0 HA ILE A 50 -10.849 -2.795 -4.033 1.00 0.36 H new ATOM 0 HB ILE A 50 -11.234 -0.759 -1.844 1.00 0.36 H new ATOM 0 HG12 ILE A 50 -9.572 -3.305 -1.771 1.00 0.29 H new ATOM 0 HG13 ILE A 50 -8.937 -1.674 -1.687 1.00 0.29 H new ATOM 0 HG21 ILE A 50 -12.392 -2.667 -0.774 1.00 0.44 H new ATOM 0 HG22 ILE A 50 -13.101 -2.281 -2.360 1.00 0.44 H new ATOM 0 HG23 ILE A 50 -12.016 -3.681 -2.187 1.00 0.44 H new ATOM 0 HD11 ILE A 50 -9.037 -2.691 0.536 1.00 0.31 H new ATOM 0 HD12 ILE A 50 -10.142 -1.299 0.436 1.00 0.31 H new ATOM 0 HD13 ILE A 50 -10.787 -2.955 0.351 1.00 0.31 H new ATOM 691 N THR A 51 -12.456 -1.439 -5.363 1.00 0.54 N ATOM 692 CA THR A 51 -13.369 -0.675 -6.195 1.00 0.64 C ATOM 693 C THR A 51 -14.610 -1.497 -6.528 1.00 0.79 C ATOM 694 O THR A 51 -15.380 -1.162 -7.430 1.00 0.88 O ATOM 695 CB THR A 51 -12.658 -0.220 -7.492 1.00 0.66 C ATOM 696 OG1 THR A 51 -13.526 0.586 -8.303 1.00 0.78 O ATOM 697 CG2 THR A 51 -12.171 -1.422 -8.291 1.00 0.70 C ATOM 0 H THR A 51 -12.392 -2.428 -5.606 1.00 0.54 H new ATOM 0 HA THR A 51 -13.684 0.209 -5.640 1.00 0.64 H new ATOM 0 HB THR A 51 -11.798 0.383 -7.202 1.00 0.66 H new ATOM 0 HG1 THR A 51 -14.447 0.262 -8.218 1.00 0.78 H new ATOM 0 HG21 THR A 51 -11.674 -1.079 -9.199 1.00 0.70 H new ATOM 0 HG22 THR A 51 -11.469 -1.999 -7.689 1.00 0.70 H new ATOM 0 HG23 THR A 51 -13.021 -2.050 -8.558 1.00 0.70 H new ATOM 705 N VAL A 52 -14.805 -2.563 -5.773 1.00 0.88 N ATOM 706 CA VAL A 52 -15.909 -3.474 -5.996 1.00 1.10 C ATOM 707 C VAL A 52 -17.209 -2.884 -5.445 1.00 1.38 C ATOM 708 O VAL A 52 -17.193 -2.022 -4.563 1.00 1.44 O ATOM 709 CB VAL A 52 -15.621 -4.838 -5.328 1.00 1.13 C ATOM 710 CG1 VAL A 52 -15.638 -4.721 -3.811 1.00 1.17 C ATOM 711 CG2 VAL A 52 -16.600 -5.897 -5.802 1.00 1.44 C ATOM 0 H VAL A 52 -14.203 -2.820 -4.990 1.00 0.88 H new ATOM 0 HA VAL A 52 -16.021 -3.624 -7.070 1.00 1.10 H new ATOM 0 HB VAL A 52 -14.620 -5.149 -5.628 1.00 1.13 H new ATOM 0 HG11 VAL A 52 -15.432 -5.696 -3.369 1.00 1.17 H new ATOM 0 HG12 VAL A 52 -14.876 -4.010 -3.492 1.00 1.17 H new ATOM 0 HG13 VAL A 52 -16.618 -4.374 -3.484 1.00 1.17 H new ATOM 0 HG21 VAL A 52 -16.373 -6.846 -5.316 1.00 1.44 H new ATOM 0 HG22 VAL A 52 -17.616 -5.593 -5.549 1.00 1.44 H new ATOM 0 HG23 VAL A 52 -16.515 -6.014 -6.882 1.00 1.44 H new ATOM 721 N ALA A 53 -18.329 -3.317 -6.002 1.00 1.71 N ATOM 722 CA ALA A 53 -19.636 -2.913 -5.511 1.00 2.11 C ATOM 723 C ALA A 53 -19.892 -3.514 -4.138 1.00 2.05 C ATOM 724 O ALA A 53 -20.011 -4.734 -3.994 1.00 2.54 O ATOM 725 CB ALA A 53 -20.726 -3.329 -6.486 1.00 2.94 C ATOM 0 H ALA A 53 -18.358 -3.952 -6.799 1.00 1.71 H new ATOM 0 HA ALA A 53 -19.652 -1.827 -5.424 1.00 2.11 H new ATOM 0 HB1 ALA A 53 -21.697 -3.018 -6.101 1.00 2.94 H new ATOM 0 HB2 ALA A 53 -20.550 -2.856 -7.452 1.00 2.94 H new ATOM 0 HB3 ALA A 53 -20.713 -4.412 -6.605 1.00 2.94 H new ATOM 731 N GLY A 54 -19.964 -2.652 -3.136 1.00 2.23 N ATOM 732 CA GLY A 54 -20.126 -3.107 -1.775 1.00 2.81 C ATOM 733 C GLY A 54 -18.801 -3.493 -1.155 1.00 2.91 C ATOM 734 O GLY A 54 -18.515 -4.673 -0.965 1.00 3.50 O ATOM 0 H GLY A 54 -19.913 -1.639 -3.244 1.00 2.23 H new ATOM 0 HA2 GLY A 54 -20.591 -2.320 -1.181 1.00 2.81 H new ATOM 0 HA3 GLY A 54 -20.801 -3.963 -1.755 1.00 2.81 H new ATOM 738 N SER A 55 -17.988 -2.498 -0.837 1.00 2.88 N ATOM 739 CA SER A 55 -16.661 -2.737 -0.288 1.00 3.27 C ATOM 740 C SER A 55 -16.687 -2.728 1.242 1.00 2.84 C ATOM 741 O SER A 55 -15.842 -2.108 1.887 1.00 3.08 O ATOM 742 CB SER A 55 -15.683 -1.683 -0.814 1.00 4.15 C ATOM 743 OG SER A 55 -15.630 -1.699 -2.233 1.00 4.90 O ATOM 0 H SER A 55 -18.225 -1.512 -0.950 1.00 2.88 H new ATOM 0 HA SER A 55 -16.328 -3.724 -0.609 1.00 3.27 H new ATOM 0 HB2 SER A 55 -15.988 -0.695 -0.469 1.00 4.15 H new ATOM 0 HB3 SER A 55 -14.689 -1.870 -0.408 1.00 4.15 H new ATOM 0 HG SER A 55 -16.539 -1.756 -2.594 1.00 4.90 H new ATOM 749 N SER A 56 -17.661 -3.426 1.816 1.00 2.68 N ATOM 750 CA SER A 56 -17.794 -3.513 3.262 1.00 2.71 C ATOM 751 C SER A 56 -16.670 -4.355 3.862 1.00 2.12 C ATOM 752 O SER A 56 -16.119 -4.022 4.912 1.00 2.50 O ATOM 753 CB SER A 56 -19.161 -4.100 3.611 1.00 3.33 C ATOM 754 OG SER A 56 -19.476 -5.186 2.752 1.00 4.06 O ATOM 0 H SER A 56 -18.372 -3.941 1.297 1.00 2.68 H new ATOM 0 HA SER A 56 -17.717 -2.513 3.688 1.00 2.71 H new ATOM 0 HB2 SER A 56 -19.163 -4.437 4.647 1.00 3.33 H new ATOM 0 HB3 SER A 56 -19.926 -3.328 3.525 1.00 3.33 H new ATOM 0 HG SER A 56 -20.354 -5.549 2.992 1.00 4.06 H new ATOM 760 N ASP A 57 -16.336 -5.444 3.185 1.00 1.64 N ATOM 761 CA ASP A 57 -15.223 -6.291 3.589 1.00 1.50 C ATOM 762 C ASP A 57 -14.691 -7.045 2.380 1.00 1.07 C ATOM 763 O ASP A 57 -14.984 -8.226 2.179 1.00 1.44 O ATOM 764 CB ASP A 57 -15.638 -7.274 4.687 1.00 2.15 C ATOM 765 CG ASP A 57 -14.463 -8.080 5.208 1.00 2.62 C ATOM 766 OD1 ASP A 57 -13.654 -7.526 5.981 1.00 3.12 O ATOM 767 OD2 ASP A 57 -14.347 -9.276 4.857 1.00 3.13 O ATOM 0 H ASP A 57 -16.824 -5.763 2.348 1.00 1.64 H new ATOM 0 HA ASP A 57 -14.438 -5.654 3.996 1.00 1.50 H new ATOM 0 HB2 ASP A 57 -16.094 -6.725 5.511 1.00 2.15 H new ATOM 0 HB3 ASP A 57 -16.397 -7.952 4.297 1.00 2.15 H new ATOM 772 N ALA A 58 -13.938 -6.339 1.556 1.00 0.67 N ATOM 773 CA ALA A 58 -13.344 -6.924 0.366 1.00 0.66 C ATOM 774 C ALA A 58 -11.854 -7.142 0.582 1.00 0.60 C ATOM 775 O ALA A 58 -11.084 -7.302 -0.369 1.00 0.83 O ATOM 776 CB ALA A 58 -13.589 -6.036 -0.844 1.00 0.99 C ATOM 0 H ALA A 58 -13.722 -5.351 1.690 1.00 0.67 H new ATOM 0 HA ALA A 58 -13.813 -7.890 0.177 1.00 0.66 H new ATOM 0 HB1 ALA A 58 -13.137 -6.490 -1.726 1.00 0.99 H new ATOM 0 HB2 ALA A 58 -14.662 -5.925 -1.002 1.00 0.99 H new ATOM 0 HB3 ALA A 58 -13.144 -5.056 -0.672 1.00 0.99 H new ATOM 782 N CYS A 59 -11.457 -7.133 1.845 1.00 0.45 N ATOM 783 CA CYS A 59 -10.063 -7.294 2.205 1.00 0.54 C ATOM 784 C CYS A 59 -9.932 -7.926 3.582 1.00 0.55 C ATOM 785 O CYS A 59 -10.548 -7.465 4.542 1.00 0.74 O ATOM 786 CB CYS A 59 -9.358 -5.941 2.200 1.00 0.73 C ATOM 787 SG CYS A 59 -7.555 -6.068 2.392 1.00 0.74 S ATOM 0 H CYS A 59 -12.086 -7.015 2.639 1.00 0.45 H new ATOM 0 HA CYS A 59 -9.597 -7.949 1.469 1.00 0.54 H new ATOM 0 HB2 CYS A 59 -9.581 -5.426 1.265 1.00 0.73 H new ATOM 0 HB3 CYS A 59 -9.760 -5.327 3.006 1.00 0.73 H new ATOM 792 N SER A 60 -9.137 -8.980 3.671 1.00 0.64 N ATOM 793 CA SER A 60 -8.878 -9.624 4.946 1.00 0.86 C ATOM 794 C SER A 60 -7.388 -9.592 5.290 1.00 0.71 C ATOM 795 O SER A 60 -6.984 -10.030 6.369 1.00 1.05 O ATOM 796 CB SER A 60 -9.411 -11.055 4.932 1.00 1.24 C ATOM 797 OG SER A 60 -10.826 -11.061 4.809 1.00 2.14 O ATOM 0 H SER A 60 -8.661 -9.406 2.876 1.00 0.64 H new ATOM 0 HA SER A 60 -9.403 -9.069 5.724 1.00 0.86 H new ATOM 0 HB2 SER A 60 -8.966 -11.606 4.103 1.00 1.24 H new ATOM 0 HB3 SER A 60 -9.118 -11.567 5.849 1.00 1.24 H new ATOM 0 HG SER A 60 -11.150 -11.986 4.800 1.00 2.14 H new ATOM 803 N ALA A 61 -6.569 -9.068 4.379 1.00 0.38 N ATOM 804 CA ALA A 61 -5.163 -8.842 4.682 1.00 0.32 C ATOM 805 C ALA A 61 -5.026 -7.546 5.477 1.00 0.32 C ATOM 806 O ALA A 61 -4.980 -7.573 6.707 1.00 0.54 O ATOM 807 CB ALA A 61 -4.306 -8.826 3.416 1.00 0.38 C ATOM 0 H ALA A 61 -6.853 -8.796 3.438 1.00 0.38 H new ATOM 0 HA ALA A 61 -4.792 -9.669 5.287 1.00 0.32 H new ATOM 0 HB1 ALA A 61 -3.264 -8.655 3.684 1.00 0.38 H new ATOM 0 HB2 ALA A 61 -4.396 -9.784 2.904 1.00 0.38 H new ATOM 0 HB3 ALA A 61 -4.647 -8.028 2.756 1.00 0.38 H new ATOM 813 N THR A 62 -4.966 -6.410 4.792 1.00 0.22 N ATOM 814 CA THR A 62 -5.017 -5.115 5.460 1.00 0.19 C ATOM 815 C THR A 62 -5.611 -4.046 4.542 1.00 0.18 C ATOM 816 O THR A 62 -5.187 -3.889 3.397 1.00 0.20 O ATOM 817 CB THR A 62 -3.621 -4.664 5.935 1.00 0.22 C ATOM 818 OG1 THR A 62 -3.011 -5.696 6.724 1.00 0.29 O ATOM 819 CG2 THR A 62 -3.716 -3.391 6.763 1.00 0.24 C ATOM 0 H THR A 62 -4.882 -6.359 3.777 1.00 0.22 H new ATOM 0 HA THR A 62 -5.659 -5.235 6.333 1.00 0.19 H new ATOM 0 HB THR A 62 -3.012 -4.468 5.053 1.00 0.22 H new ATOM 0 HG1 THR A 62 -2.124 -5.401 7.020 1.00 0.29 H new ATOM 0 HG21 THR A 62 -2.719 -3.092 7.087 1.00 0.24 H new ATOM 0 HG22 THR A 62 -4.155 -2.596 6.160 1.00 0.24 H new ATOM 0 HG23 THR A 62 -4.342 -3.571 7.637 1.00 0.24 H new ATOM 827 N ALA A 63 -6.596 -3.319 5.050 1.00 0.19 N ATOM 828 CA ALA A 63 -7.200 -2.222 4.311 1.00 0.20 C ATOM 829 C ALA A 63 -6.402 -0.952 4.552 1.00 0.17 C ATOM 830 O ALA A 63 -6.067 -0.628 5.693 1.00 0.19 O ATOM 831 CB ALA A 63 -8.651 -2.030 4.729 1.00 0.25 C ATOM 0 H ALA A 63 -6.995 -3.471 5.976 1.00 0.19 H new ATOM 0 HA ALA A 63 -7.186 -2.457 3.247 1.00 0.20 H new ATOM 0 HB1 ALA A 63 -9.086 -1.205 4.165 1.00 0.25 H new ATOM 0 HB2 ALA A 63 -9.212 -2.943 4.527 1.00 0.25 H new ATOM 0 HB3 ALA A 63 -8.696 -1.805 5.795 1.00 0.25 H new ATOM 837 N VAL A 64 -6.086 -0.235 3.489 1.00 0.14 N ATOM 838 CA VAL A 64 -5.217 0.928 3.598 1.00 0.13 C ATOM 839 C VAL A 64 -5.654 2.065 2.683 1.00 0.14 C ATOM 840 O VAL A 64 -6.516 1.900 1.818 1.00 0.21 O ATOM 841 CB VAL A 64 -3.764 0.563 3.259 1.00 0.15 C ATOM 842 CG1 VAL A 64 -3.100 -0.185 4.407 1.00 0.14 C ATOM 843 CG2 VAL A 64 -3.735 -0.265 1.989 1.00 0.19 C ATOM 0 H VAL A 64 -6.415 -0.434 2.544 1.00 0.14 H new ATOM 0 HA VAL A 64 -5.289 1.263 4.633 1.00 0.13 H new ATOM 0 HB VAL A 64 -3.200 1.482 3.101 1.00 0.15 H new ATOM 0 HG11 VAL A 64 -2.073 -0.429 4.136 1.00 0.14 H new ATOM 0 HG12 VAL A 64 -3.101 0.442 5.299 1.00 0.14 H new ATOM 0 HG13 VAL A 64 -3.650 -1.104 4.609 1.00 0.14 H new ATOM 0 HG21 VAL A 64 -2.704 -0.525 1.747 1.00 0.19 H new ATOM 0 HG22 VAL A 64 -4.314 -1.177 2.136 1.00 0.19 H new ATOM 0 HG23 VAL A 64 -4.166 0.310 1.170 1.00 0.19 H new ATOM 853 N CYS A 65 -5.034 3.211 2.894 1.00 0.17 N ATOM 854 CA CYS A 65 -5.297 4.408 2.119 1.00 0.17 C ATOM 855 C CYS A 65 -3.977 5.009 1.649 1.00 0.13 C ATOM 856 O CYS A 65 -3.278 5.657 2.428 1.00 0.14 O ATOM 857 CB CYS A 65 -6.070 5.417 2.984 1.00 0.23 C ATOM 858 SG CYS A 65 -6.230 7.090 2.269 1.00 0.39 S ATOM 0 H CYS A 65 -4.326 3.338 3.617 1.00 0.17 H new ATOM 0 HA CYS A 65 -5.900 4.159 1.246 1.00 0.17 H new ATOM 0 HB2 CYS A 65 -7.069 5.022 3.171 1.00 0.23 H new ATOM 0 HB3 CYS A 65 -5.573 5.498 3.951 1.00 0.23 H new ATOM 863 N CYS A 66 -3.614 4.768 0.395 1.00 0.12 N ATOM 864 CA CYS A 66 -2.352 5.273 -0.132 1.00 0.13 C ATOM 865 C CYS A 66 -2.502 6.657 -0.724 1.00 0.16 C ATOM 866 O CYS A 66 -3.331 6.901 -1.600 1.00 0.23 O ATOM 867 CB CYS A 66 -1.752 4.326 -1.162 1.00 0.19 C ATOM 868 SG CYS A 66 -0.582 3.127 -0.455 1.00 0.65 S ATOM 0 H CYS A 66 -4.170 4.231 -0.271 1.00 0.12 H new ATOM 0 HA CYS A 66 -1.668 5.337 0.714 1.00 0.13 H new ATOM 0 HB2 CYS A 66 -2.558 3.785 -1.659 1.00 0.19 H new ATOM 0 HB3 CYS A 66 -1.242 4.911 -1.927 1.00 0.19 H new ATOM 873 N SER A 67 -1.672 7.551 -0.228 1.00 0.24 N ATOM 874 CA SER A 67 -1.669 8.936 -0.647 1.00 0.29 C ATOM 875 C SER A 67 -0.810 9.108 -1.898 1.00 0.32 C ATOM 876 O SER A 67 -0.924 10.100 -2.621 1.00 0.41 O ATOM 877 CB SER A 67 -1.142 9.800 0.496 1.00 0.35 C ATOM 878 OG SER A 67 -1.372 11.179 0.259 1.00 1.15 O ATOM 0 H SER A 67 -0.974 7.334 0.484 1.00 0.24 H new ATOM 0 HA SER A 67 -2.684 9.248 -0.893 1.00 0.29 H new ATOM 0 HB2 SER A 67 -1.625 9.505 1.428 1.00 0.35 H new ATOM 0 HB3 SER A 67 -0.073 9.625 0.622 1.00 0.35 H new ATOM 0 HG SER A 67 -2.297 11.310 -0.037 1.00 1.15 H new ATOM 884 N ASP A 68 0.046 8.129 -2.144 1.00 0.30 N ATOM 885 CA ASP A 68 0.913 8.143 -3.311 1.00 0.37 C ATOM 886 C ASP A 68 0.476 7.055 -4.285 1.00 0.44 C ATOM 887 O ASP A 68 0.105 5.957 -3.870 1.00 0.57 O ATOM 888 CB ASP A 68 2.368 7.937 -2.898 1.00 0.43 C ATOM 889 CG ASP A 68 3.330 8.175 -4.038 1.00 1.03 C ATOM 890 OD1 ASP A 68 3.508 7.275 -4.878 1.00 1.60 O ATOM 891 OD2 ASP A 68 3.917 9.275 -4.098 1.00 1.52 O ATOM 0 H ASP A 68 0.159 7.310 -1.547 1.00 0.30 H new ATOM 0 HA ASP A 68 0.834 9.113 -3.802 1.00 0.37 H new ATOM 0 HB2 ASP A 68 2.609 8.612 -2.076 1.00 0.43 H new ATOM 0 HB3 ASP A 68 2.496 6.921 -2.524 1.00 0.43 H new ATOM 896 N ASN A 69 0.519 7.355 -5.573 1.00 0.53 N ATOM 897 CA ASN A 69 -0.010 6.439 -6.574 1.00 0.63 C ATOM 898 C ASN A 69 1.068 5.996 -7.559 1.00 0.59 C ATOM 899 O ASN A 69 0.766 5.611 -8.688 1.00 0.64 O ATOM 900 CB ASN A 69 -1.174 7.087 -7.331 1.00 0.84 C ATOM 901 CG ASN A 69 -2.309 7.509 -6.415 1.00 1.67 C ATOM 902 OD1 ASN A 69 -3.204 6.721 -6.106 1.00 2.35 O ATOM 903 ND2 ASN A 69 -2.291 8.765 -5.988 1.00 2.49 N ATOM 0 H ASN A 69 0.911 8.218 -5.949 1.00 0.53 H new ATOM 0 HA ASN A 69 -0.370 5.554 -6.049 1.00 0.63 H new ATOM 0 HB2 ASN A 69 -0.808 7.958 -7.874 1.00 0.84 H new ATOM 0 HB3 ASN A 69 -1.554 6.385 -8.074 1.00 0.84 H new ATOM 0 HD21 ASN A 69 -3.036 9.108 -5.382 1.00 2.49 H new ATOM 0 HD22 ASN A 69 -1.532 9.387 -6.266 1.00 2.49 H new ATOM 910 N ASN A 70 2.325 6.043 -7.136 1.00 0.59 N ATOM 911 CA ASN A 70 3.426 5.586 -7.984 1.00 0.64 C ATOM 912 C ASN A 70 3.633 4.086 -7.814 1.00 0.55 C ATOM 913 O ASN A 70 4.721 3.625 -7.469 1.00 0.86 O ATOM 914 CB ASN A 70 4.721 6.340 -7.665 1.00 0.83 C ATOM 915 CG ASN A 70 4.652 7.809 -8.038 1.00 1.50 C ATOM 916 OD1 ASN A 70 4.963 8.191 -9.167 1.00 2.24 O ATOM 917 ND2 ASN A 70 4.251 8.642 -7.095 1.00 2.27 N ATOM 0 H ASN A 70 2.609 6.389 -6.220 1.00 0.59 H new ATOM 0 HA ASN A 70 3.163 5.793 -9.021 1.00 0.64 H new ATOM 0 HB2 ASN A 70 4.936 6.250 -6.600 1.00 0.83 H new ATOM 0 HB3 ASN A 70 5.549 5.873 -8.198 1.00 0.83 H new ATOM 0 HD21 ASN A 70 4.190 9.641 -7.290 1.00 2.27 H new ATOM 0 HD22 ASN A 70 4.002 8.286 -6.172 1.00 2.27 H new ATOM 924 N VAL A 71 2.573 3.332 -8.064 1.00 0.41 N ATOM 925 CA VAL A 71 2.581 1.896 -7.866 1.00 0.38 C ATOM 926 C VAL A 71 3.384 1.184 -8.952 1.00 0.33 C ATOM 927 O VAL A 71 3.321 1.541 -10.126 1.00 0.38 O ATOM 928 CB VAL A 71 1.142 1.342 -7.828 1.00 0.52 C ATOM 929 CG1 VAL A 71 0.381 1.936 -6.655 1.00 1.10 C ATOM 930 CG2 VAL A 71 0.406 1.622 -9.132 1.00 1.03 C ATOM 0 H VAL A 71 1.687 3.700 -8.409 1.00 0.41 H new ATOM 0 HA VAL A 71 3.062 1.704 -6.907 1.00 0.38 H new ATOM 0 HB VAL A 71 1.201 0.261 -7.702 1.00 0.52 H new ATOM 0 HG11 VAL A 71 -0.633 1.537 -6.640 1.00 1.10 H new ATOM 0 HG12 VAL A 71 0.887 1.678 -5.725 1.00 1.10 H new ATOM 0 HG13 VAL A 71 0.343 3.020 -6.758 1.00 1.10 H new ATOM 0 HG21 VAL A 71 -0.605 1.219 -9.073 1.00 1.03 H new ATOM 0 HG22 VAL A 71 0.358 2.698 -9.299 1.00 1.03 H new ATOM 0 HG23 VAL A 71 0.937 1.150 -9.958 1.00 1.03 H new ATOM 940 N SER A 72 4.140 0.176 -8.548 1.00 0.32 N ATOM 941 CA SER A 72 4.975 -0.577 -9.474 1.00 0.37 C ATOM 942 C SER A 72 4.225 -1.782 -10.051 1.00 0.42 C ATOM 943 O SER A 72 4.823 -2.658 -10.675 1.00 0.55 O ATOM 944 CB SER A 72 6.254 -1.014 -8.776 1.00 0.45 C ATOM 945 OG SER A 72 6.914 0.098 -8.195 1.00 1.41 O ATOM 0 H SER A 72 4.194 -0.142 -7.580 1.00 0.32 H new ATOM 0 HA SER A 72 5.234 0.072 -10.311 1.00 0.37 H new ATOM 0 HB2 SER A 72 6.020 -1.748 -8.005 1.00 0.45 H new ATOM 0 HB3 SER A 72 6.916 -1.503 -9.491 1.00 0.45 H new ATOM 0 HG SER A 72 7.881 0.009 -8.326 1.00 1.41 H new ATOM 951 N GLY A 73 2.917 -1.832 -9.817 1.00 0.39 N ATOM 952 CA GLY A 73 2.085 -2.848 -10.439 1.00 0.48 C ATOM 953 C GLY A 73 1.233 -3.627 -9.463 1.00 0.41 C ATOM 954 O GLY A 73 0.102 -3.979 -9.786 1.00 0.48 O ATOM 0 H GLY A 73 2.417 -1.186 -9.206 1.00 0.39 H new ATOM 0 HA2 GLY A 73 1.435 -2.371 -11.173 1.00 0.48 H new ATOM 0 HA3 GLY A 73 2.724 -3.543 -10.983 1.00 0.48 H new ATOM 958 N VAL A 74 1.736 -3.878 -8.262 1.00 0.31 N ATOM 959 CA VAL A 74 0.935 -4.560 -7.248 1.00 0.28 C ATOM 960 C VAL A 74 1.154 -3.953 -5.873 1.00 0.22 C ATOM 961 O VAL A 74 0.484 -4.314 -4.912 1.00 0.34 O ATOM 962 CB VAL A 74 1.229 -6.077 -7.176 1.00 0.37 C ATOM 963 CG1 VAL A 74 1.080 -6.728 -8.545 1.00 0.49 C ATOM 964 CG2 VAL A 74 2.605 -6.342 -6.593 1.00 0.38 C ATOM 0 H VAL A 74 2.679 -3.626 -7.966 1.00 0.31 H new ATOM 0 HA VAL A 74 -0.103 -4.426 -7.551 1.00 0.28 H new ATOM 0 HB VAL A 74 0.494 -6.527 -6.509 1.00 0.37 H new ATOM 0 HG11 VAL A 74 1.292 -7.794 -8.466 1.00 0.49 H new ATOM 0 HG12 VAL A 74 0.061 -6.587 -8.906 1.00 0.49 H new ATOM 0 HG13 VAL A 74 1.780 -6.270 -9.244 1.00 0.49 H new ATOM 0 HG21 VAL A 74 2.783 -7.417 -6.555 1.00 0.38 H new ATOM 0 HG22 VAL A 74 3.362 -5.871 -7.219 1.00 0.38 H new ATOM 0 HG23 VAL A 74 2.659 -5.929 -5.586 1.00 0.38 H new ATOM 974 N ILE A 75 2.104 -3.042 -5.777 1.00 0.18 N ATOM 975 CA ILE A 75 2.400 -2.400 -4.508 1.00 0.17 C ATOM 976 C ILE A 75 1.570 -1.147 -4.317 1.00 0.16 C ATOM 977 O ILE A 75 0.794 -0.755 -5.187 1.00 0.20 O ATOM 978 CB ILE A 75 3.877 -2.002 -4.387 1.00 0.19 C ATOM 979 CG1 ILE A 75 4.256 -1.049 -5.512 1.00 0.20 C ATOM 980 CG2 ILE A 75 4.756 -3.228 -4.413 1.00 0.24 C ATOM 981 CD1 ILE A 75 5.425 -0.153 -5.179 1.00 0.30 C ATOM 0 H ILE A 75 2.682 -2.730 -6.558 1.00 0.18 H new ATOM 0 HA ILE A 75 2.159 -3.138 -3.743 1.00 0.17 H new ATOM 0 HB ILE A 75 4.026 -1.493 -3.435 1.00 0.19 H new ATOM 0 HG12 ILE A 75 4.496 -1.629 -6.403 1.00 0.20 H new ATOM 0 HG13 ILE A 75 3.393 -0.430 -5.758 1.00 0.20 H new ATOM 0 HG21 ILE A 75 5.801 -2.929 -4.326 1.00 0.24 H new ATOM 0 HG22 ILE A 75 4.495 -3.881 -3.580 1.00 0.24 H new ATOM 0 HG23 ILE A 75 4.608 -3.762 -5.352 1.00 0.24 H new ATOM 0 HD11 ILE A 75 5.638 0.498 -6.027 1.00 0.30 H new ATOM 0 HD12 ILE A 75 5.181 0.454 -4.307 1.00 0.30 H new ATOM 0 HD13 ILE A 75 6.301 -0.764 -4.962 1.00 0.30 H new ATOM 993 N ALA A 76 1.766 -0.530 -3.170 1.00 0.15 N ATOM 994 CA ALA A 76 1.133 0.732 -2.835 1.00 0.16 C ATOM 995 C ALA A 76 2.103 1.577 -2.014 1.00 0.14 C ATOM 996 O ALA A 76 2.876 1.035 -1.225 1.00 0.15 O ATOM 997 CB ALA A 76 -0.153 0.474 -2.069 1.00 0.18 C ATOM 0 H ALA A 76 2.375 -0.893 -2.436 1.00 0.15 H new ATOM 0 HA ALA A 76 0.881 1.277 -3.745 1.00 0.16 H new ATOM 0 HB1 ALA A 76 -0.625 1.424 -1.820 1.00 0.18 H new ATOM 0 HB2 ALA A 76 -0.831 -0.117 -2.685 1.00 0.18 H new ATOM 0 HB3 ALA A 76 0.073 -0.071 -1.152 1.00 0.18 H new ATOM 1003 N ILE A 77 2.087 2.890 -2.211 1.00 0.15 N ATOM 1004 CA ILE A 77 3.034 3.772 -1.534 1.00 0.16 C ATOM 1005 C ILE A 77 2.316 4.849 -0.722 1.00 0.16 C ATOM 1006 O ILE A 77 1.389 5.495 -1.209 1.00 0.21 O ATOM 1007 CB ILE A 77 3.984 4.448 -2.548 1.00 0.19 C ATOM 1008 CG1 ILE A 77 4.740 3.388 -3.354 1.00 0.21 C ATOM 1009 CG2 ILE A 77 4.963 5.375 -1.835 1.00 0.24 C ATOM 1010 CD1 ILE A 77 5.648 3.965 -4.418 1.00 0.26 C ATOM 0 H ILE A 77 1.432 3.367 -2.831 1.00 0.15 H new ATOM 0 HA ILE A 77 3.616 3.150 -0.854 1.00 0.16 H new ATOM 0 HB ILE A 77 3.386 5.048 -3.234 1.00 0.19 H new ATOM 0 HG12 ILE A 77 5.335 2.781 -2.671 1.00 0.21 H new ATOM 0 HG13 ILE A 77 4.019 2.721 -3.827 1.00 0.21 H new ATOM 0 HG21 ILE A 77 5.622 5.841 -2.567 1.00 0.24 H new ATOM 0 HG22 ILE A 77 4.410 6.148 -1.302 1.00 0.24 H new ATOM 0 HG23 ILE A 77 5.558 4.800 -1.125 1.00 0.24 H new ATOM 0 HD11 ILE A 77 6.149 3.155 -4.947 1.00 0.26 H new ATOM 0 HD12 ILE A 77 5.057 4.548 -5.124 1.00 0.26 H new ATOM 0 HD13 ILE A 77 6.393 4.609 -3.950 1.00 0.26 H new ATOM 1022 N GLY A 78 2.745 5.031 0.522 1.00 0.16 N ATOM 1023 CA GLY A 78 2.165 6.060 1.363 1.00 0.17 C ATOM 1024 C GLY A 78 0.788 5.681 1.853 1.00 0.15 C ATOM 1025 O GLY A 78 -0.151 6.463 1.744 1.00 0.17 O ATOM 0 H GLY A 78 3.484 4.484 0.963 1.00 0.16 H new ATOM 0 HA2 GLY A 78 2.817 6.240 2.218 1.00 0.17 H new ATOM 0 HA3 GLY A 78 2.107 6.994 0.805 1.00 0.17 H new ATOM 1029 N CYS A 79 0.672 4.483 2.403 1.00 0.13 N ATOM 1030 CA CYS A 79 -0.609 3.972 2.840 1.00 0.13 C ATOM 1031 C CYS A 79 -0.809 4.156 4.331 1.00 0.13 C ATOM 1032 O CYS A 79 0.100 3.933 5.127 1.00 0.18 O ATOM 1033 CB CYS A 79 -0.732 2.491 2.493 1.00 0.15 C ATOM 1034 SG CYS A 79 -1.650 2.154 0.960 1.00 0.65 S ATOM 0 H CYS A 79 1.455 3.847 2.556 1.00 0.13 H new ATOM 0 HA CYS A 79 -1.380 4.540 2.319 1.00 0.13 H new ATOM 0 HB2 CYS A 79 0.268 2.067 2.404 1.00 0.15 H new ATOM 0 HB3 CYS A 79 -1.225 1.976 3.318 1.00 0.15 H new ATOM 1039 N LEU A 80 -1.999 4.597 4.694 1.00 0.14 N ATOM 1040 CA LEU A 80 -2.407 4.619 6.083 1.00 0.15 C ATOM 1041 C LEU A 80 -3.439 3.531 6.319 1.00 0.15 C ATOM 1042 O LEU A 80 -4.396 3.405 5.557 1.00 0.15 O ATOM 1043 CB LEU A 80 -2.982 5.976 6.464 1.00 0.19 C ATOM 1044 CG LEU A 80 -2.009 7.147 6.340 1.00 0.23 C ATOM 1045 CD1 LEU A 80 -2.694 8.450 6.720 1.00 0.29 C ATOM 1046 CD2 LEU A 80 -0.785 6.910 7.212 1.00 0.26 C ATOM 0 H LEU A 80 -2.701 4.946 4.042 1.00 0.14 H new ATOM 0 HA LEU A 80 -1.532 4.439 6.707 1.00 0.15 H new ATOM 0 HB2 LEU A 80 -3.850 6.176 5.835 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -3.339 5.927 7.493 1.00 0.19 H new ATOM 0 HG LEU A 80 -1.684 7.222 5.302 1.00 0.23 H new ATOM 0 HD11 LEU A 80 -1.987 9.274 6.626 1.00 0.29 H new ATOM 0 HD12 LEU A 80 -3.542 8.622 6.057 1.00 0.29 H new ATOM 0 HD13 LEU A 80 -3.046 8.389 7.750 1.00 0.29 H new ATOM 0 HD21 LEU A 80 -0.100 7.752 7.114 1.00 0.26 H new ATOM 0 HD22 LEU A 80 -1.093 6.812 8.253 1.00 0.26 H new ATOM 0 HD23 LEU A 80 -0.284 5.996 6.895 1.00 0.26 H new ATOM 1058 N PRO A 81 -3.242 2.712 7.352 1.00 0.15 N ATOM 1059 CA PRO A 81 -4.133 1.592 7.657 1.00 0.17 C ATOM 1060 C PRO A 81 -5.519 2.048 8.100 1.00 0.21 C ATOM 1061 O PRO A 81 -5.666 2.779 9.085 1.00 0.25 O ATOM 1062 CB PRO A 81 -3.426 0.854 8.799 1.00 0.21 C ATOM 1063 CG PRO A 81 -2.044 1.407 8.844 1.00 0.20 C ATOM 1064 CD PRO A 81 -2.133 2.806 8.306 1.00 0.17 C ATOM 0 HA PRO A 81 -4.305 0.972 6.777 1.00 0.17 H new ATOM 0 HB2 PRO A 81 -3.942 1.013 9.746 1.00 0.21 H new ATOM 0 HB3 PRO A 81 -3.412 -0.221 8.620 1.00 0.21 H new ATOM 0 HG2 PRO A 81 -1.658 1.406 9.863 1.00 0.20 H new ATOM 0 HG3 PRO A 81 -1.363 0.802 8.245 1.00 0.20 H new ATOM 0 HD2 PRO A 81 -2.337 3.531 9.094 1.00 0.17 H new ATOM 0 HD3 PRO A 81 -1.206 3.114 7.821 1.00 0.17 H new ATOM 1072 N VAL A 82 -6.528 1.613 7.364 1.00 0.23 N ATOM 1073 CA VAL A 82 -7.903 1.900 7.690 1.00 0.30 C ATOM 1074 C VAL A 82 -8.596 0.619 8.120 1.00 0.39 C ATOM 1075 O VAL A 82 -8.245 -0.467 7.665 1.00 0.42 O ATOM 1076 CB VAL A 82 -8.660 2.535 6.504 1.00 0.25 C ATOM 1077 CG1 VAL A 82 -8.276 3.999 6.343 1.00 0.33 C ATOM 1078 CG2 VAL A 82 -8.393 1.780 5.212 1.00 0.20 C ATOM 0 H VAL A 82 -6.410 1.050 6.522 1.00 0.23 H new ATOM 0 HA VAL A 82 -7.911 2.624 8.505 1.00 0.30 H new ATOM 0 HB VAL A 82 -9.726 2.473 6.722 1.00 0.25 H new ATOM 0 HG11 VAL A 82 -8.821 4.428 5.502 1.00 0.33 H new ATOM 0 HG12 VAL A 82 -8.527 4.543 7.253 1.00 0.33 H new ATOM 0 HG13 VAL A 82 -7.204 4.076 6.159 1.00 0.33 H new ATOM 0 HG21 VAL A 82 -8.940 2.251 4.395 1.00 0.20 H new ATOM 0 HG22 VAL A 82 -7.325 1.800 4.993 1.00 0.20 H new ATOM 0 HG23 VAL A 82 -8.722 0.746 5.320 1.00 0.20 H new ATOM 1088 N THR A 83 -9.562 0.744 8.998 1.00 0.53 N ATOM 1089 CA THR A 83 -10.217 -0.418 9.573 1.00 0.70 C ATOM 1090 C THR A 83 -11.735 -0.262 9.531 1.00 1.46 C ATOM 1091 O THR A 83 -12.245 0.858 9.592 1.00 2.07 O ATOM 1092 CB THR A 83 -9.757 -0.627 11.032 1.00 1.31 C ATOM 1093 OG1 THR A 83 -8.330 -0.509 11.114 1.00 1.98 O ATOM 1094 CG2 THR A 83 -10.174 -1.993 11.555 1.00 1.65 C ATOM 0 H THR A 83 -9.916 1.639 9.334 1.00 0.53 H new ATOM 0 HA THR A 83 -9.938 -1.289 8.980 1.00 0.70 H new ATOM 0 HB THR A 83 -10.233 0.139 11.644 1.00 1.31 H new ATOM 0 HG1 THR A 83 -8.044 -0.641 12.042 1.00 1.98 H new ATOM 0 HG21 THR A 83 -9.835 -2.108 12.584 1.00 1.65 H new ATOM 0 HG22 THR A 83 -11.260 -2.080 11.519 1.00 1.65 H new ATOM 0 HG23 THR A 83 -9.727 -2.771 10.937 1.00 1.65 H new ATOM 1102 N LEU A 84 -12.437 -1.392 9.412 1.00 1.87 N ATOM 1103 CA LEU A 84 -13.893 -1.426 9.432 1.00 2.80 C ATOM 1104 C LEU A 84 -14.480 -0.702 8.227 1.00 3.45 C ATOM 1105 O LEU A 84 -14.945 0.450 8.382 1.00 3.87 O ATOM 1106 CB LEU A 84 -14.416 -0.826 10.735 1.00 3.22 C ATOM 1107 CG LEU A 84 -14.145 -1.664 11.985 1.00 3.13 C ATOM 1108 CD1 LEU A 84 -14.414 -0.854 13.239 1.00 3.79 C ATOM 1109 CD2 LEU A 84 -14.996 -2.924 11.977 1.00 3.37 C ATOM 1110 OXT LEU A 84 -14.477 -1.291 7.122 1.00 3.91 O ATOM 0 H LEU A 84 -12.006 -2.309 9.299 1.00 1.87 H new ATOM 0 HA LEU A 84 -14.210 -2.467 9.375 1.00 2.80 H new ATOM 0 HB2 LEU A 84 -13.967 0.158 10.871 1.00 3.22 H new ATOM 0 HB3 LEU A 84 -15.492 -0.675 10.643 1.00 3.22 H new ATOM 0 HG LEU A 84 -13.095 -1.955 11.980 1.00 3.13 H new ATOM 0 HD11 LEU A 84 -14.216 -1.467 14.118 1.00 3.79 H new ATOM 0 HD12 LEU A 84 -13.764 0.021 13.253 1.00 3.79 H new ATOM 0 HD13 LEU A 84 -15.456 -0.533 13.248 1.00 3.79 H new ATOM 0 HD21 LEU A 84 -14.790 -3.508 12.874 1.00 3.37 H new ATOM 0 HD22 LEU A 84 -16.051 -2.650 11.957 1.00 3.37 H new ATOM 0 HD23 LEU A 84 -14.758 -3.518 11.095 1.00 3.37 H new TER 1122 LEU A 84