USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=18 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 10 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 12 GLN : amide:sc= -2.18! C(o=-2.2!,f=-4.3!) USER MOD Single : A 1 GLY N :NH3+ -176:sc= 0.986 (180deg=0.974) USER MOD Single : A 2 SER OG : rot 124:sc= 1.28 USER MOD Single : A 5 GLN :FLIP amide:sc= -0.119 F(o=-0.74,f=-0.12) USER MOD Single : A 7 SER OG : rot -16:sc= 1.02 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN :FLIP amide:sc= -0.741 F(o=-1.9!,f=-0.74) USER MOD Single : A 16 ASN : amide:sc= -0.0197 X(o=-0.02,f=-0.4) USER MOD Single : A 22 SER OG : rot 180:sc= -0.0159 USER MOD Single : A 26 THR OG1 : rot -8:sc= 1.11 USER MOD Single : A 40 THR OG1 : rot -91:sc= 0.0419 USER MOD Single : A 51 THR OG1 : rot -34:sc= 0.544 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc=-0.00454 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0316 K(o=-0.032,f=-1.1) USER MOD Single : A 70 ASN : amide:sc= 0.456 K(o=0.46,f=-0.15) USER MOD Single : A 72 SER OG : rot -150:sc= -2.96! USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.106 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.804 -1.176 -7.147 1.00 5.63 N ATOM 2 CA GLY A 1 -17.573 -0.492 -6.695 1.00 4.92 C ATOM 3 C GLY A 1 -17.604 -0.204 -5.210 1.00 4.01 C ATOM 4 O GLY A 1 -18.441 0.562 -4.736 1.00 4.29 O ATOM 0 H1 GLY A 1 -18.717 -1.417 -8.155 1.00 5.63 H new ATOM 0 H2 GLY A 1 -18.941 -2.046 -6.594 1.00 5.63 H new ATOM 0 H3 GLY A 1 -19.621 -0.547 -7.011 1.00 5.63 H new ATOM 0 HA2 GLY A 1 -16.707 -1.111 -6.927 1.00 4.92 H new ATOM 0 HA3 GLY A 1 -17.453 0.442 -7.244 1.00 4.92 H new ATOM 10 N SER A 2 -16.706 -0.839 -4.469 1.00 3.39 N ATOM 11 CA SER A 2 -16.617 -0.620 -3.035 1.00 2.92 C ATOM 12 C SER A 2 -16.033 0.760 -2.745 1.00 2.13 C ATOM 13 O SER A 2 -16.454 1.434 -1.803 1.00 2.36 O ATOM 14 CB SER A 2 -15.767 -1.714 -2.385 1.00 3.61 C ATOM 15 OG SER A 2 -15.768 -1.607 -0.971 1.00 4.28 O ATOM 0 H SER A 2 -16.031 -1.508 -4.838 1.00 3.39 H new ATOM 0 HA SER A 2 -17.620 -0.664 -2.610 1.00 2.92 H new ATOM 0 HB2 SER A 2 -16.148 -2.693 -2.676 1.00 3.61 H new ATOM 0 HB3 SER A 2 -14.744 -1.648 -2.754 1.00 3.61 H new ATOM 0 HG SER A 2 -16.081 -2.449 -0.579 1.00 4.28 H new ATOM 21 N TRP A 3 -15.074 1.171 -3.584 1.00 1.93 N ATOM 22 CA TRP A 3 -14.423 2.480 -3.481 1.00 1.69 C ATOM 23 C TRP A 3 -13.515 2.571 -2.261 1.00 1.84 C ATOM 24 O TRP A 3 -12.293 2.585 -2.395 1.00 2.71 O ATOM 25 CB TRP A 3 -15.453 3.615 -3.454 1.00 2.33 C ATOM 26 CG TRP A 3 -16.022 3.940 -4.798 1.00 2.76 C ATOM 27 CD1 TRP A 3 -17.090 3.351 -5.408 1.00 3.47 C ATOM 28 CD2 TRP A 3 -15.546 4.942 -5.700 1.00 3.17 C ATOM 29 NE1 TRP A 3 -17.306 3.925 -6.637 1.00 4.11 N ATOM 30 CE2 TRP A 3 -16.369 4.905 -6.838 1.00 3.90 C ATOM 31 CE3 TRP A 3 -14.500 5.867 -5.652 1.00 3.49 C ATOM 32 CZ2 TRP A 3 -16.179 5.759 -7.921 1.00 4.62 C ATOM 33 CZ3 TRP A 3 -14.311 6.714 -6.726 1.00 4.30 C ATOM 34 CH2 TRP A 3 -15.148 6.655 -7.847 1.00 4.74 C ATOM 0 H TRP A 3 -14.727 0.602 -4.356 1.00 1.93 H new ATOM 0 HA TRP A 3 -13.804 2.591 -4.371 1.00 1.69 H new ATOM 0 HB2 TRP A 3 -16.266 3.341 -2.781 1.00 2.33 H new ATOM 0 HB3 TRP A 3 -14.985 4.509 -3.041 1.00 2.33 H new ATOM 0 HD1 TRP A 3 -17.680 2.550 -4.986 1.00 3.47 H new ATOM 0 HE1 TRP A 3 -18.043 3.665 -7.293 1.00 4.11 H new ATOM 0 HE3 TRP A 3 -13.851 5.919 -4.790 1.00 3.49 H new ATOM 0 HZ2 TRP A 3 -16.822 5.716 -8.788 1.00 4.62 H new ATOM 0 HZ3 TRP A 3 -13.505 7.433 -6.701 1.00 4.30 H new ATOM 0 HH2 TRP A 3 -14.976 7.332 -8.671 1.00 4.74 H new ATOM 45 N GLY A 4 -14.109 2.620 -1.082 1.00 1.61 N ATOM 46 CA GLY A 4 -13.335 2.842 0.117 1.00 2.03 C ATOM 47 C GLY A 4 -13.010 4.309 0.299 1.00 1.82 C ATOM 48 O GLY A 4 -11.967 4.785 -0.152 1.00 1.87 O ATOM 0 H GLY A 4 -15.112 2.510 -0.934 1.00 1.61 H new ATOM 0 HA2 GLY A 4 -13.890 2.480 0.983 1.00 2.03 H new ATOM 0 HA3 GLY A 4 -12.411 2.266 0.067 1.00 2.03 H new ATOM 52 N GLN A 5 -13.915 5.033 0.940 1.00 1.92 N ATOM 53 CA GLN A 5 -13.732 6.455 1.160 1.00 1.96 C ATOM 54 C GLN A 5 -12.665 6.696 2.217 1.00 1.53 C ATOM 55 O GLN A 5 -12.664 6.059 3.274 1.00 1.64 O ATOM 56 CB GLN A 5 -15.052 7.105 1.577 1.00 2.55 C ATOM 57 CG GLN A 5 -16.134 7.012 0.511 1.00 3.13 C ATOM 58 CD GLN A 5 -15.725 7.628 -0.820 1.00 3.34 C ATOM 59 OE1 GLN A 5 -14.944 8.699 -0.783 1.00 3.26 O flip ATOM 60 NE2 GLN A 5 -16.139 7.157 -1.879 1.00 4.17 N flip ATOM 0 H GLN A 5 -14.785 4.656 1.317 1.00 1.92 H new ATOM 0 HA GLN A 5 -13.402 6.909 0.226 1.00 1.96 H new ATOM 0 HB2 GLN A 5 -15.410 6.630 2.490 1.00 2.55 H new ATOM 0 HB3 GLN A 5 -14.873 8.154 1.813 1.00 2.55 H new ATOM 0 HG2 GLN A 5 -16.391 5.964 0.355 1.00 3.13 H new ATOM 0 HG3 GLN A 5 -17.034 7.510 0.872 1.00 3.13 H new ATOM 0 HE21 GLN A 5 -16.738 6.332 -1.870 1.00 4.17 H new ATOM 0 HE22 GLN A 5 -15.883 7.592 -2.765 1.00 4.17 H new ATOM 69 N CYS A 6 -11.758 7.608 1.923 1.00 1.29 N ATOM 70 CA CYS A 6 -10.656 7.911 2.821 1.00 0.94 C ATOM 71 C CYS A 6 -10.604 9.406 3.114 1.00 0.96 C ATOM 72 O CYS A 6 -11.199 9.873 4.082 1.00 1.88 O ATOM 73 CB CYS A 6 -9.334 7.425 2.215 1.00 0.81 C ATOM 74 SG CYS A 6 -7.847 7.919 3.144 1.00 0.61 S ATOM 0 H CYS A 6 -11.762 8.156 1.063 1.00 1.29 H new ATOM 0 HA CYS A 6 -10.815 7.388 3.764 1.00 0.94 H new ATOM 0 HB2 CYS A 6 -9.359 6.337 2.147 1.00 0.81 H new ATOM 0 HB3 CYS A 6 -9.254 7.807 1.197 1.00 0.81 H new ATOM 79 N SER A 7 -9.902 10.155 2.270 1.00 0.91 N ATOM 80 CA SER A 7 -9.828 11.604 2.396 1.00 0.99 C ATOM 81 C SER A 7 -9.416 12.216 1.059 1.00 1.25 C ATOM 82 O SER A 7 -10.250 12.752 0.331 1.00 1.82 O ATOM 83 CB SER A 7 -8.848 12.019 3.508 1.00 1.55 C ATOM 84 OG SER A 7 -9.235 11.491 4.768 1.00 2.40 O ATOM 0 H SER A 7 -9.372 9.777 1.485 1.00 0.91 H new ATOM 0 HA SER A 7 -10.814 11.978 2.672 1.00 0.99 H new ATOM 0 HB2 SER A 7 -7.846 11.671 3.259 1.00 1.55 H new ATOM 0 HB3 SER A 7 -8.802 13.106 3.567 1.00 1.55 H new ATOM 0 HG SER A 7 -10.166 11.187 4.723 1.00 2.40 H new ATOM 90 N THR A 8 -8.138 12.111 0.724 1.00 1.48 N ATOM 91 CA THR A 8 -7.642 12.617 -0.545 1.00 2.09 C ATOM 92 C THR A 8 -7.013 11.495 -1.362 1.00 1.70 C ATOM 93 O THR A 8 -6.991 11.540 -2.593 1.00 2.23 O ATOM 94 CB THR A 8 -6.612 13.742 -0.328 1.00 2.93 C ATOM 95 OG1 THR A 8 -5.607 13.312 0.600 1.00 3.15 O ATOM 96 CG2 THR A 8 -7.286 15.004 0.194 1.00 3.75 C ATOM 0 H THR A 8 -7.427 11.680 1.314 1.00 1.48 H new ATOM 0 HA THR A 8 -8.492 13.024 -1.094 1.00 2.09 H new ATOM 0 HB THR A 8 -6.148 13.970 -1.288 1.00 2.93 H new ATOM 0 HG1 THR A 8 -4.955 14.031 0.732 1.00 3.15 H new ATOM 0 HG21 THR A 8 -6.537 15.783 0.339 1.00 3.75 H new ATOM 0 HG22 THR A 8 -8.029 15.344 -0.527 1.00 3.75 H new ATOM 0 HG23 THR A 8 -7.775 14.789 1.144 1.00 3.75 H new ATOM 104 N GLY A 9 -6.513 10.487 -0.663 1.00 0.97 N ATOM 105 CA GLY A 9 -5.879 9.365 -1.318 1.00 0.72 C ATOM 106 C GLY A 9 -6.848 8.235 -1.599 1.00 0.71 C ATOM 107 O GLY A 9 -8.030 8.320 -1.258 1.00 1.12 O ATOM 0 H GLY A 9 -6.536 10.428 0.355 1.00 0.97 H new ATOM 0 HA2 GLY A 9 -5.434 9.699 -2.255 1.00 0.72 H new ATOM 0 HA3 GLY A 9 -5.066 8.995 -0.693 1.00 0.72 H new ATOM 111 N SER A 10 -6.339 7.178 -2.205 1.00 0.38 N ATOM 112 CA SER A 10 -7.147 6.029 -2.576 1.00 0.39 C ATOM 113 C SER A 10 -7.003 4.937 -1.525 1.00 0.28 C ATOM 114 O SER A 10 -5.994 4.872 -0.829 1.00 0.29 O ATOM 115 CB SER A 10 -6.706 5.508 -3.951 1.00 0.52 C ATOM 116 OG SER A 10 -7.523 4.437 -4.397 1.00 0.96 O ATOM 0 H SER A 10 -5.354 7.091 -2.454 1.00 0.38 H new ATOM 0 HA SER A 10 -8.194 6.326 -2.632 1.00 0.39 H new ATOM 0 HB2 SER A 10 -6.744 6.320 -4.677 1.00 0.52 H new ATOM 0 HB3 SER A 10 -5.669 5.176 -3.898 1.00 0.52 H new ATOM 0 HG SER A 10 -7.213 4.133 -5.276 1.00 0.96 H new ATOM 122 N ILE A 11 -8.030 4.116 -1.368 1.00 0.32 N ATOM 123 CA ILE A 11 -7.938 2.974 -0.481 1.00 0.27 C ATOM 124 C ILE A 11 -7.745 1.684 -1.258 1.00 0.20 C ATOM 125 O ILE A 11 -8.458 1.397 -2.224 1.00 0.26 O ATOM 126 CB ILE A 11 -9.168 2.855 0.437 1.00 0.39 C ATOM 127 CG1 ILE A 11 -9.177 4.026 1.407 1.00 0.50 C ATOM 128 CG2 ILE A 11 -9.169 1.535 1.197 1.00 0.40 C ATOM 129 CD1 ILE A 11 -10.204 3.897 2.508 1.00 0.96 C ATOM 0 H ILE A 11 -8.928 4.220 -1.840 1.00 0.32 H new ATOM 0 HA ILE A 11 -7.063 3.139 0.147 1.00 0.27 H new ATOM 0 HB ILE A 11 -10.068 2.877 -0.177 1.00 0.39 H new ATOM 0 HG12 ILE A 11 -8.188 4.123 1.855 1.00 0.50 H new ATOM 0 HG13 ILE A 11 -9.367 4.945 0.852 1.00 0.50 H new ATOM 0 HG21 ILE A 11 -10.051 1.484 1.836 1.00 0.40 H new ATOM 0 HG22 ILE A 11 -9.185 0.707 0.488 1.00 0.40 H new ATOM 0 HG23 ILE A 11 -8.271 1.468 1.812 1.00 0.40 H new ATOM 0 HD11 ILE A 11 -10.150 4.769 3.160 1.00 0.96 H new ATOM 0 HD12 ILE A 11 -11.200 3.832 2.070 1.00 0.96 H new ATOM 0 HD13 ILE A 11 -10.003 2.997 3.089 1.00 0.96 H new ATOM 141 N GLN A 12 -6.765 0.922 -0.822 1.00 0.13 N ATOM 142 CA GLN A 12 -6.470 -0.371 -1.414 1.00 0.10 C ATOM 143 C GLN A 12 -6.350 -1.428 -0.329 1.00 0.11 C ATOM 144 O GLN A 12 -6.299 -1.112 0.861 1.00 0.17 O ATOM 145 CB GLN A 12 -5.191 -0.357 -2.271 1.00 0.12 C ATOM 146 CG GLN A 12 -4.212 0.768 -1.984 1.00 0.22 C ATOM 147 CD GLN A 12 -4.590 2.079 -2.657 1.00 0.39 C ATOM 148 OE1 GLN A 12 -4.359 3.152 -2.115 1.00 0.91 O ATOM 149 NE2 GLN A 12 -5.127 2.008 -3.867 1.00 0.35 N ATOM 0 H GLN A 12 -6.150 1.178 -0.049 1.00 0.13 H new ATOM 0 HA GLN A 12 -7.300 -0.610 -2.078 1.00 0.10 H new ATOM 0 HB2 GLN A 12 -4.674 -1.307 -2.133 1.00 0.12 H new ATOM 0 HB3 GLN A 12 -5.481 -0.302 -3.320 1.00 0.12 H new ATOM 0 HG2 GLN A 12 -4.154 0.924 -0.907 1.00 0.22 H new ATOM 0 HG3 GLN A 12 -3.218 0.470 -2.317 1.00 0.22 H new ATOM 0 HE21 GLN A 12 -5.308 1.099 -4.292 1.00 0.35 H new ATOM 0 HE22 GLN A 12 -5.360 2.863 -4.373 1.00 0.35 H new ATOM 158 N CYS A 13 -6.327 -2.679 -0.747 1.00 0.12 N ATOM 159 CA CYS A 13 -6.211 -3.788 0.176 1.00 0.16 C ATOM 160 C CYS A 13 -4.850 -4.446 0.026 1.00 0.13 C ATOM 161 O CYS A 13 -4.612 -5.204 -0.918 1.00 0.15 O ATOM 162 CB CYS A 13 -7.325 -4.806 -0.064 1.00 0.25 C ATOM 163 SG CYS A 13 -7.165 -6.313 0.944 1.00 0.34 S ATOM 0 H CYS A 13 -6.388 -2.952 -1.728 1.00 0.12 H new ATOM 0 HA CYS A 13 -6.310 -3.409 1.193 1.00 0.16 H new ATOM 0 HB2 CYS A 13 -8.286 -4.337 0.148 1.00 0.25 H new ATOM 0 HB3 CYS A 13 -7.332 -5.083 -1.118 1.00 0.25 H new ATOM 168 N CYS A 14 -3.959 -4.140 0.951 1.00 0.12 N ATOM 169 CA CYS A 14 -2.591 -4.620 0.885 1.00 0.12 C ATOM 170 C CYS A 14 -2.449 -5.974 1.536 1.00 0.15 C ATOM 171 O CYS A 14 -2.810 -6.163 2.699 1.00 0.19 O ATOM 172 CB CYS A 14 -1.639 -3.645 1.561 1.00 0.14 C ATOM 173 SG CYS A 14 -1.404 -2.067 0.679 1.00 0.13 S ATOM 0 H CYS A 14 -4.161 -3.557 1.763 1.00 0.12 H new ATOM 0 HA CYS A 14 -2.336 -4.705 -0.171 1.00 0.12 H new ATOM 0 HB2 CYS A 14 -2.011 -3.433 2.563 1.00 0.14 H new ATOM 0 HB3 CYS A 14 -0.669 -4.128 1.677 1.00 0.14 H new ATOM 178 N GLN A 15 -1.920 -6.910 0.770 1.00 0.15 N ATOM 179 CA GLN A 15 -1.626 -8.237 1.262 1.00 0.16 C ATOM 180 C GLN A 15 -0.467 -8.176 2.256 1.00 0.18 C ATOM 181 O GLN A 15 -0.418 -8.941 3.218 1.00 0.23 O ATOM 182 CB GLN A 15 -1.356 -9.174 0.064 1.00 0.17 C ATOM 183 CG GLN A 15 0.004 -9.862 0.034 1.00 0.23 C ATOM 184 CD GLN A 15 0.154 -10.970 1.066 1.00 0.31 C ATOM 185 OE1 GLN A 15 -0.942 -11.637 1.398 1.00 0.38 O flip ATOM 186 NE2 GLN A 15 1.254 -11.231 1.554 1.00 0.33 N flip ATOM 0 H GLN A 15 -1.683 -6.768 -0.212 1.00 0.15 H new ATOM 0 HA GLN A 15 -2.478 -8.647 1.805 1.00 0.16 H new ATOM 0 HB2 GLN A 15 -2.128 -9.943 0.051 1.00 0.17 H new ATOM 0 HB3 GLN A 15 -1.467 -8.596 -0.853 1.00 0.17 H new ATOM 0 HG2 GLN A 15 0.168 -10.279 -0.960 1.00 0.23 H new ATOM 0 HG3 GLN A 15 0.782 -9.116 0.199 1.00 0.23 H new ATOM 0 HE21 GLN A 15 2.076 -10.696 1.274 1.00 0.33 H new ATOM 0 HE22 GLN A 15 1.343 -11.982 2.238 1.00 0.33 H new ATOM 195 N ASN A 16 0.441 -7.237 2.034 1.00 0.17 N ATOM 196 CA ASN A 16 1.572 -7.036 2.927 1.00 0.21 C ATOM 197 C ASN A 16 1.794 -5.551 3.177 1.00 0.21 C ATOM 198 O ASN A 16 2.236 -4.823 2.290 1.00 0.40 O ATOM 199 CB ASN A 16 2.835 -7.630 2.323 1.00 0.29 C ATOM 200 CG ASN A 16 3.649 -8.427 3.319 1.00 0.62 C ATOM 201 OD1 ASN A 16 3.659 -8.138 4.516 1.00 1.03 O ATOM 202 ND2 ASN A 16 4.337 -9.446 2.828 1.00 0.75 N ATOM 0 H ASN A 16 0.416 -6.599 1.238 1.00 0.17 H new ATOM 0 HA ASN A 16 1.350 -7.534 3.871 1.00 0.21 H new ATOM 0 HB2 ASN A 16 2.563 -8.274 1.487 1.00 0.29 H new ATOM 0 HB3 ASN A 16 3.451 -6.826 1.919 1.00 0.29 H new ATOM 0 HD21 ASN A 16 4.903 -10.026 3.448 1.00 0.75 H new ATOM 0 HD22 ASN A 16 4.301 -9.652 1.830 1.00 0.75 H new ATOM 209 N VAL A 17 1.479 -5.107 4.377 1.00 0.16 N ATOM 210 CA VAL A 17 1.702 -3.720 4.762 1.00 0.13 C ATOM 211 C VAL A 17 2.989 -3.610 5.563 1.00 0.14 C ATOM 212 O VAL A 17 3.050 -4.023 6.723 1.00 0.18 O ATOM 213 CB VAL A 17 0.523 -3.141 5.581 1.00 0.14 C ATOM 214 CG1 VAL A 17 0.836 -1.728 6.057 1.00 0.17 C ATOM 215 CG2 VAL A 17 -0.748 -3.145 4.755 1.00 0.14 C ATOM 0 H VAL A 17 1.066 -5.686 5.108 1.00 0.16 H new ATOM 0 HA VAL A 17 1.781 -3.135 3.846 1.00 0.13 H new ATOM 0 HB VAL A 17 0.375 -3.774 6.456 1.00 0.14 H new ATOM 0 HG11 VAL A 17 -0.007 -1.342 6.630 1.00 0.17 H new ATOM 0 HG12 VAL A 17 1.726 -1.745 6.687 1.00 0.17 H new ATOM 0 HG13 VAL A 17 1.014 -1.085 5.195 1.00 0.17 H new ATOM 0 HG21 VAL A 17 -1.567 -2.735 5.346 1.00 0.14 H new ATOM 0 HG22 VAL A 17 -0.604 -2.536 3.862 1.00 0.14 H new ATOM 0 HG23 VAL A 17 -0.988 -4.167 4.462 1.00 0.14 H new ATOM 225 N VAL A 18 4.020 -3.073 4.933 1.00 0.12 N ATOM 226 CA VAL A 18 5.328 -2.970 5.558 1.00 0.13 C ATOM 227 C VAL A 18 5.889 -1.561 5.408 1.00 0.12 C ATOM 228 O VAL A 18 5.672 -0.904 4.392 1.00 0.12 O ATOM 229 CB VAL A 18 6.326 -3.979 4.946 1.00 0.13 C ATOM 230 CG1 VAL A 18 5.925 -5.407 5.282 1.00 0.18 C ATOM 231 CG2 VAL A 18 6.426 -3.797 3.438 1.00 0.13 C ATOM 0 H VAL A 18 3.976 -2.700 3.985 1.00 0.12 H new ATOM 0 HA VAL A 18 5.198 -3.200 6.616 1.00 0.13 H new ATOM 0 HB VAL A 18 7.307 -3.785 5.380 1.00 0.13 H new ATOM 0 HG11 VAL A 18 6.642 -6.100 4.841 1.00 0.18 H new ATOM 0 HG12 VAL A 18 5.914 -5.537 6.364 1.00 0.18 H new ATOM 0 HG13 VAL A 18 4.931 -5.610 4.882 1.00 0.18 H new ATOM 0 HG21 VAL A 18 7.134 -4.518 3.031 1.00 0.13 H new ATOM 0 HG22 VAL A 18 5.447 -3.956 2.987 1.00 0.13 H new ATOM 0 HG23 VAL A 18 6.769 -2.787 3.215 1.00 0.13 H new ATOM 241 N PRO A 19 6.586 -1.060 6.436 1.00 0.14 N ATOM 242 CA PRO A 19 7.291 0.217 6.349 1.00 0.15 C ATOM 243 C PRO A 19 8.364 0.188 5.268 1.00 0.12 C ATOM 244 O PRO A 19 9.097 -0.788 5.139 1.00 0.10 O ATOM 245 CB PRO A 19 7.923 0.391 7.734 1.00 0.17 C ATOM 246 CG PRO A 19 7.169 -0.534 8.630 1.00 0.19 C ATOM 247 CD PRO A 19 6.717 -1.678 7.765 1.00 0.17 C ATOM 0 HA PRO A 19 6.624 1.037 6.082 1.00 0.15 H new ATOM 0 HB2 PRO A 19 8.984 0.143 7.716 1.00 0.17 H new ATOM 0 HB3 PRO A 19 7.842 1.423 8.076 1.00 0.17 H new ATOM 0 HG2 PRO A 19 7.801 -0.888 9.445 1.00 0.19 H new ATOM 0 HG3 PRO A 19 6.317 -0.028 9.084 1.00 0.19 H new ATOM 0 HD2 PRO A 19 7.442 -2.492 7.761 1.00 0.17 H new ATOM 0 HD3 PRO A 19 5.771 -2.095 8.110 1.00 0.17 H new ATOM 255 N GLY A 20 8.449 1.259 4.490 1.00 0.14 N ATOM 256 CA GLY A 20 9.440 1.328 3.430 1.00 0.13 C ATOM 257 C GLY A 20 10.849 1.426 3.977 1.00 0.14 C ATOM 258 O GLY A 20 11.822 1.222 3.254 1.00 0.18 O ATOM 0 H GLY A 20 7.851 2.081 4.572 1.00 0.14 H new ATOM 0 HA2 GLY A 20 9.357 0.444 2.798 1.00 0.13 H new ATOM 0 HA3 GLY A 20 9.235 2.192 2.798 1.00 0.13 H new ATOM 262 N ASP A 21 10.949 1.743 5.260 1.00 0.17 N ATOM 263 CA ASP A 21 12.231 1.813 5.952 1.00 0.21 C ATOM 264 C ASP A 21 12.418 0.567 6.814 1.00 0.19 C ATOM 265 O ASP A 21 13.401 0.428 7.542 1.00 0.23 O ATOM 266 CB ASP A 21 12.283 3.074 6.811 1.00 0.31 C ATOM 267 CG ASP A 21 13.644 3.336 7.421 1.00 1.23 C ATOM 268 OD1 ASP A 21 13.716 3.625 8.632 1.00 1.22 O ATOM 269 OD2 ASP A 21 14.653 3.232 6.693 1.00 2.27 O ATOM 0 H ASP A 21 10.146 1.959 5.851 1.00 0.17 H new ATOM 0 HA ASP A 21 13.039 1.856 5.222 1.00 0.21 H new ATOM 0 HB2 ASP A 21 11.996 3.931 6.201 1.00 0.31 H new ATOM 0 HB3 ASP A 21 11.546 2.990 7.610 1.00 0.31 H new ATOM 274 N SER A 22 11.456 -0.339 6.712 1.00 0.16 N ATOM 275 CA SER A 22 11.512 -1.606 7.419 1.00 0.17 C ATOM 276 C SER A 22 12.506 -2.532 6.747 1.00 0.16 C ATOM 277 O SER A 22 12.773 -2.386 5.560 1.00 0.14 O ATOM 278 CB SER A 22 10.127 -2.265 7.433 1.00 0.18 C ATOM 279 OG SER A 22 10.179 -3.600 7.907 1.00 0.24 O ATOM 0 H SER A 22 10.620 -0.216 6.140 1.00 0.16 H new ATOM 0 HA SER A 22 11.830 -1.419 8.445 1.00 0.17 H new ATOM 0 HB2 SER A 22 9.455 -1.683 8.063 1.00 0.18 H new ATOM 0 HB3 SER A 22 9.710 -2.254 6.426 1.00 0.18 H new ATOM 0 HG SER A 22 9.277 -3.984 7.902 1.00 0.24 H new ATOM 285 N ASP A 23 13.040 -3.484 7.490 1.00 0.20 N ATOM 286 CA ASP A 23 13.949 -4.469 6.914 1.00 0.22 C ATOM 287 C ASP A 23 13.282 -5.123 5.722 1.00 0.20 C ATOM 288 O ASP A 23 13.877 -5.292 4.656 1.00 0.22 O ATOM 289 CB ASP A 23 14.286 -5.543 7.943 1.00 0.29 C ATOM 290 CG ASP A 23 15.409 -6.456 7.492 1.00 0.59 C ATOM 291 OD1 ASP A 23 15.120 -7.525 6.916 1.00 1.06 O ATOM 292 OD2 ASP A 23 16.592 -6.105 7.700 1.00 0.61 O ATOM 0 H ASP A 23 12.864 -3.599 8.488 1.00 0.20 H new ATOM 0 HA ASP A 23 14.866 -3.967 6.606 1.00 0.22 H new ATOM 0 HB2 ASP A 23 14.567 -5.065 8.882 1.00 0.29 H new ATOM 0 HB3 ASP A 23 13.396 -6.140 8.143 1.00 0.29 H new ATOM 297 N LEU A 24 12.023 -5.462 5.924 1.00 0.20 N ATOM 298 CA LEU A 24 11.211 -6.048 4.873 1.00 0.21 C ATOM 299 C LEU A 24 10.948 -5.042 3.762 1.00 0.17 C ATOM 300 O LEU A 24 11.393 -5.232 2.635 1.00 0.18 O ATOM 301 CB LEU A 24 9.884 -6.555 5.438 1.00 0.26 C ATOM 302 CG LEU A 24 9.799 -8.066 5.645 1.00 0.35 C ATOM 303 CD1 LEU A 24 9.921 -8.788 4.311 1.00 1.03 C ATOM 304 CD2 LEU A 24 10.876 -8.540 6.610 1.00 1.11 C ATOM 0 H LEU A 24 11.537 -5.341 6.813 1.00 0.20 H new ATOM 0 HA LEU A 24 11.764 -6.890 4.456 1.00 0.21 H new ATOM 0 HB2 LEU A 24 9.703 -6.063 6.394 1.00 0.26 H new ATOM 0 HB3 LEU A 24 9.082 -6.251 4.766 1.00 0.26 H new ATOM 0 HG LEU A 24 8.828 -8.300 6.080 1.00 0.35 H new ATOM 0 HD11 LEU A 24 9.859 -9.864 4.473 1.00 1.03 H new ATOM 0 HD12 LEU A 24 9.112 -8.473 3.651 1.00 1.03 H new ATOM 0 HD13 LEU A 24 10.879 -8.545 3.852 1.00 1.03 H new ATOM 0 HD21 LEU A 24 10.796 -9.619 6.743 1.00 1.11 H new ATOM 0 HD22 LEU A 24 11.859 -8.295 6.207 1.00 1.11 H new ATOM 0 HD23 LEU A 24 10.745 -8.046 7.573 1.00 1.11 H new ATOM 316 N GLY A 25 10.251 -3.961 4.101 1.00 0.14 N ATOM 317 CA GLY A 25 9.844 -2.979 3.108 1.00 0.12 C ATOM 318 C GLY A 25 11.001 -2.424 2.301 1.00 0.12 C ATOM 319 O GLY A 25 10.885 -2.235 1.090 1.00 0.16 O ATOM 0 H GLY A 25 9.958 -3.746 5.054 1.00 0.14 H new ATOM 0 HA2 GLY A 25 9.124 -3.436 2.430 1.00 0.12 H new ATOM 0 HA3 GLY A 25 9.333 -2.157 3.609 1.00 0.12 H new ATOM 323 N THR A 26 12.123 -2.191 2.961 1.00 0.13 N ATOM 324 CA THR A 26 13.293 -1.633 2.305 1.00 0.16 C ATOM 325 C THR A 26 13.873 -2.631 1.310 1.00 0.20 C ATOM 326 O THR A 26 14.282 -2.261 0.211 1.00 0.24 O ATOM 327 CB THR A 26 14.365 -1.222 3.340 1.00 0.18 C ATOM 328 OG1 THR A 26 13.838 -0.210 4.204 1.00 0.20 O ATOM 329 CG2 THR A 26 15.619 -0.689 2.674 1.00 0.23 C ATOM 0 H THR A 26 12.248 -2.381 3.955 1.00 0.13 H new ATOM 0 HA THR A 26 12.982 -0.739 1.764 1.00 0.16 H new ATOM 0 HB THR A 26 14.629 -2.114 3.908 1.00 0.18 H new ATOM 0 HG1 THR A 26 12.968 0.089 3.865 1.00 0.20 H new ATOM 0 HG21 THR A 26 16.346 -0.412 3.437 1.00 0.23 H new ATOM 0 HG22 THR A 26 16.044 -1.459 2.030 1.00 0.23 H new ATOM 0 HG23 THR A 26 15.369 0.187 2.076 1.00 0.23 H new ATOM 337 N LEU A 27 13.866 -3.902 1.680 1.00 0.21 N ATOM 338 CA LEU A 27 14.363 -4.941 0.805 1.00 0.28 C ATOM 339 C LEU A 27 13.354 -5.221 -0.303 1.00 0.29 C ATOM 340 O LEU A 27 13.720 -5.642 -1.401 1.00 0.34 O ATOM 341 CB LEU A 27 14.635 -6.211 1.608 1.00 0.33 C ATOM 342 CG LEU A 27 16.065 -6.754 1.522 1.00 0.57 C ATOM 343 CD1 LEU A 27 16.481 -6.976 0.076 1.00 1.01 C ATOM 344 CD2 LEU A 27 17.034 -5.812 2.220 1.00 1.00 C ATOM 0 H LEU A 27 13.521 -4.234 2.581 1.00 0.21 H new ATOM 0 HA LEU A 27 15.295 -4.606 0.350 1.00 0.28 H new ATOM 0 HB2 LEU A 27 14.402 -6.015 2.655 1.00 0.33 H new ATOM 0 HB3 LEU A 27 13.949 -6.988 1.269 1.00 0.33 H new ATOM 0 HG LEU A 27 16.092 -7.718 2.030 1.00 0.57 H new ATOM 0 HD11 LEU A 27 17.500 -7.362 0.046 1.00 1.01 H new ATOM 0 HD12 LEU A 27 15.807 -7.695 -0.390 1.00 1.01 H new ATOM 0 HD13 LEU A 27 16.434 -6.031 -0.465 1.00 1.01 H new ATOM 0 HD21 LEU A 27 18.045 -6.213 2.150 1.00 1.00 H new ATOM 0 HD22 LEU A 27 16.997 -4.833 1.742 1.00 1.00 H new ATOM 0 HD23 LEU A 27 16.755 -5.714 3.269 1.00 1.00 H new ATOM 356 N LEU A 28 12.080 -4.976 -0.012 1.00 0.27 N ATOM 357 CA LEU A 28 11.030 -5.178 -0.994 1.00 0.31 C ATOM 358 C LEU A 28 11.135 -4.136 -2.096 1.00 0.32 C ATOM 359 O LEU A 28 11.126 -4.471 -3.278 1.00 0.37 O ATOM 360 CB LEU A 28 9.635 -5.110 -0.354 1.00 0.31 C ATOM 361 CG LEU A 28 9.330 -6.149 0.732 1.00 0.31 C ATOM 362 CD1 LEU A 28 7.829 -6.265 0.954 1.00 0.34 C ATOM 363 CD2 LEU A 28 9.928 -7.499 0.377 1.00 0.37 C ATOM 0 H LEU A 28 11.755 -4.639 0.894 1.00 0.27 H new ATOM 0 HA LEU A 28 11.163 -6.174 -1.416 1.00 0.31 H new ATOM 0 HB2 LEU A 28 9.505 -4.117 0.077 1.00 0.31 H new ATOM 0 HB3 LEU A 28 8.891 -5.214 -1.144 1.00 0.31 H new ATOM 0 HG LEU A 28 9.790 -5.813 1.661 1.00 0.31 H new ATOM 0 HD11 LEU A 28 7.632 -7.007 1.728 1.00 0.34 H new ATOM 0 HD12 LEU A 28 7.432 -5.299 1.267 1.00 0.34 H new ATOM 0 HD13 LEU A 28 7.347 -6.572 0.026 1.00 0.34 H new ATOM 0 HD21 LEU A 28 9.697 -8.217 1.164 1.00 0.37 H new ATOM 0 HD22 LEU A 28 9.507 -7.846 -0.567 1.00 0.37 H new ATOM 0 HD23 LEU A 28 11.009 -7.403 0.279 1.00 0.37 H new ATOM 375 N LEU A 29 11.264 -2.871 -1.712 1.00 0.30 N ATOM 376 CA LEU A 29 11.283 -1.798 -2.694 1.00 0.32 C ATOM 377 C LEU A 29 12.628 -1.711 -3.401 1.00 0.36 C ATOM 378 O LEU A 29 12.714 -1.203 -4.517 1.00 0.41 O ATOM 379 CB LEU A 29 10.890 -0.452 -2.060 1.00 0.30 C ATOM 380 CG LEU A 29 11.754 0.080 -0.905 1.00 0.29 C ATOM 381 CD1 LEU A 29 13.093 0.614 -1.395 1.00 0.31 C ATOM 382 CD2 LEU A 29 10.999 1.174 -0.174 1.00 0.31 C ATOM 0 H LEU A 29 11.356 -2.568 -0.742 1.00 0.30 H new ATOM 0 HA LEU A 29 10.535 -2.034 -3.451 1.00 0.32 H new ATOM 0 HB2 LEU A 29 10.886 0.300 -2.849 1.00 0.30 H new ATOM 0 HB3 LEU A 29 9.866 -0.539 -1.698 1.00 0.30 H new ATOM 0 HG LEU A 29 11.960 -0.750 -0.229 1.00 0.29 H new ATOM 0 HD11 LEU A 29 13.671 0.980 -0.547 1.00 0.31 H new ATOM 0 HD12 LEU A 29 13.643 -0.185 -1.892 1.00 0.31 H new ATOM 0 HD13 LEU A 29 12.924 1.430 -2.098 1.00 0.31 H new ATOM 0 HD21 LEU A 29 11.610 1.553 0.645 1.00 0.31 H new ATOM 0 HD22 LEU A 29 10.776 1.986 -0.866 1.00 0.31 H new ATOM 0 HD23 LEU A 29 10.068 0.770 0.224 1.00 0.31 H new ATOM 394 N ASP A 30 13.673 -2.208 -2.757 1.00 0.34 N ATOM 395 CA ASP A 30 14.988 -2.265 -3.382 1.00 0.39 C ATOM 396 C ASP A 30 14.961 -3.267 -4.520 1.00 0.43 C ATOM 397 O ASP A 30 15.619 -3.095 -5.543 1.00 0.49 O ATOM 398 CB ASP A 30 16.058 -2.665 -2.368 1.00 0.41 C ATOM 399 CG ASP A 30 17.461 -2.468 -2.905 1.00 0.54 C ATOM 400 OD1 ASP A 30 18.086 -3.469 -3.314 1.00 0.66 O ATOM 401 OD2 ASP A 30 17.940 -1.314 -2.930 1.00 0.63 O ATOM 0 H ASP A 30 13.638 -2.576 -1.806 1.00 0.34 H new ATOM 0 HA ASP A 30 15.234 -1.275 -3.766 1.00 0.39 H new ATOM 0 HB2 ASP A 30 15.933 -2.076 -1.460 1.00 0.41 H new ATOM 0 HB3 ASP A 30 15.921 -3.710 -2.091 1.00 0.41 H new ATOM 406 N GLU A 31 14.154 -4.301 -4.334 1.00 0.43 N ATOM 407 CA GLU A 31 13.980 -5.344 -5.323 1.00 0.49 C ATOM 408 C GLU A 31 13.110 -4.833 -6.462 1.00 0.51 C ATOM 409 O GLU A 31 13.116 -5.368 -7.570 1.00 0.62 O ATOM 410 CB GLU A 31 13.313 -6.544 -4.662 1.00 0.52 C ATOM 411 CG GLU A 31 13.766 -7.873 -5.215 1.00 0.97 C ATOM 412 CD GLU A 31 13.043 -9.039 -4.580 1.00 1.46 C ATOM 413 OE1 GLU A 31 12.036 -9.500 -5.148 1.00 1.76 O ATOM 414 OE2 GLU A 31 13.483 -9.509 -3.514 1.00 2.07 O ATOM 0 H GLU A 31 13.601 -4.437 -3.488 1.00 0.43 H new ATOM 0 HA GLU A 31 14.950 -5.637 -5.725 1.00 0.49 H new ATOM 0 HB2 GLU A 31 13.517 -6.518 -3.592 1.00 0.52 H new ATOM 0 HB3 GLU A 31 12.233 -6.460 -4.783 1.00 0.52 H new ATOM 0 HG2 GLU A 31 13.601 -7.890 -6.292 1.00 0.97 H new ATOM 0 HG3 GLU A 31 14.838 -7.983 -5.055 1.00 0.97 H new ATOM 421 N LEU A 32 12.372 -3.775 -6.168 1.00 0.52 N ATOM 422 CA LEU A 32 11.406 -3.218 -7.095 1.00 0.58 C ATOM 423 C LEU A 32 11.928 -1.945 -7.757 1.00 0.61 C ATOM 424 O LEU A 32 11.299 -1.404 -8.665 1.00 0.71 O ATOM 425 CB LEU A 32 10.108 -2.930 -6.344 1.00 0.56 C ATOM 426 CG LEU A 32 9.345 -4.169 -5.875 1.00 0.57 C ATOM 427 CD1 LEU A 32 8.098 -3.768 -5.107 1.00 0.57 C ATOM 428 CD2 LEU A 32 8.981 -5.050 -7.059 1.00 0.64 C ATOM 0 H LEU A 32 12.427 -3.279 -5.278 1.00 0.52 H new ATOM 0 HA LEU A 32 11.226 -3.944 -7.888 1.00 0.58 H new ATOM 0 HB2 LEU A 32 10.338 -2.313 -5.475 1.00 0.56 H new ATOM 0 HB3 LEU A 32 9.455 -2.342 -6.989 1.00 0.56 H new ATOM 0 HG LEU A 32 9.991 -4.739 -5.207 1.00 0.57 H new ATOM 0 HD11 LEU A 32 7.568 -4.663 -4.781 1.00 0.57 H new ATOM 0 HD12 LEU A 32 8.381 -3.177 -4.236 1.00 0.57 H new ATOM 0 HD13 LEU A 32 7.448 -3.176 -5.752 1.00 0.57 H new ATOM 0 HD21 LEU A 32 8.438 -5.927 -6.707 1.00 0.64 H new ATOM 0 HD22 LEU A 32 8.353 -4.489 -7.751 1.00 0.64 H new ATOM 0 HD23 LEU A 32 9.890 -5.367 -7.570 1.00 0.64 H new ATOM 440 N GLY A 33 13.082 -1.478 -7.291 1.00 0.57 N ATOM 441 CA GLY A 33 13.699 -0.293 -7.858 1.00 0.62 C ATOM 442 C GLY A 33 12.906 0.967 -7.576 1.00 0.63 C ATOM 443 O GLY A 33 12.851 1.871 -8.410 1.00 0.75 O ATOM 0 H GLY A 33 13.604 -1.903 -6.525 1.00 0.57 H new ATOM 0 HA2 GLY A 33 14.705 -0.183 -7.454 1.00 0.62 H new ATOM 0 HA3 GLY A 33 13.800 -0.421 -8.936 1.00 0.62 H new ATOM 447 N ILE A 34 12.296 1.032 -6.398 1.00 0.54 N ATOM 448 CA ILE A 34 11.464 2.172 -6.035 1.00 0.58 C ATOM 449 C ILE A 34 12.299 3.258 -5.371 1.00 0.65 C ATOM 450 O ILE A 34 13.178 2.963 -4.558 1.00 0.68 O ATOM 451 CB ILE A 34 10.327 1.765 -5.072 1.00 0.51 C ATOM 452 CG1 ILE A 34 9.598 0.533 -5.606 1.00 0.55 C ATOM 453 CG2 ILE A 34 9.349 2.919 -4.885 1.00 0.58 C ATOM 454 CD1 ILE A 34 8.543 -0.005 -4.665 1.00 0.56 C ATOM 0 H ILE A 34 12.362 0.311 -5.680 1.00 0.54 H new ATOM 0 HA ILE A 34 11.027 2.551 -6.959 1.00 0.58 H new ATOM 0 HB ILE A 34 10.763 1.521 -4.103 1.00 0.51 H new ATOM 0 HG12 ILE A 34 9.130 0.783 -6.558 1.00 0.55 H new ATOM 0 HG13 ILE A 34 10.328 -0.252 -5.806 1.00 0.55 H new ATOM 0 HG21 ILE A 34 8.554 2.616 -4.204 1.00 0.58 H new ATOM 0 HG22 ILE A 34 9.875 3.778 -4.469 1.00 0.58 H new ATOM 0 HG23 ILE A 34 8.917 3.190 -5.849 1.00 0.58 H new ATOM 0 HD11 ILE A 34 8.069 -0.879 -5.112 1.00 0.56 H new ATOM 0 HD12 ILE A 34 9.008 -0.288 -3.720 1.00 0.56 H new ATOM 0 HD13 ILE A 34 7.791 0.763 -4.484 1.00 0.56 H new ATOM 466 N VAL A 35 12.035 4.505 -5.724 1.00 0.77 N ATOM 467 CA VAL A 35 12.701 5.626 -5.087 1.00 0.89 C ATOM 468 C VAL A 35 11.798 6.237 -4.013 1.00 0.74 C ATOM 469 O VAL A 35 10.754 6.825 -4.308 1.00 0.90 O ATOM 470 CB VAL A 35 13.137 6.702 -6.116 1.00 1.24 C ATOM 471 CG1 VAL A 35 11.971 7.164 -6.980 1.00 1.84 C ATOM 472 CG2 VAL A 35 13.783 7.885 -5.409 1.00 1.87 C ATOM 0 H VAL A 35 11.365 4.765 -6.448 1.00 0.77 H new ATOM 0 HA VAL A 35 13.607 5.248 -4.614 1.00 0.89 H new ATOM 0 HB VAL A 35 13.872 6.245 -6.778 1.00 1.24 H new ATOM 0 HG11 VAL A 35 12.318 7.917 -7.687 1.00 1.84 H new ATOM 0 HG12 VAL A 35 11.564 6.313 -7.527 1.00 1.84 H new ATOM 0 HG13 VAL A 35 11.195 7.592 -6.345 1.00 1.84 H new ATOM 0 HG21 VAL A 35 14.083 8.630 -6.146 1.00 1.87 H new ATOM 0 HG22 VAL A 35 13.069 8.328 -4.715 1.00 1.87 H new ATOM 0 HG23 VAL A 35 14.661 7.545 -4.859 1.00 1.87 H new ATOM 482 N LEU A 36 12.188 6.061 -2.761 1.00 0.70 N ATOM 483 CA LEU A 36 11.422 6.588 -1.644 1.00 0.66 C ATOM 484 C LEU A 36 11.719 8.066 -1.437 1.00 0.68 C ATOM 485 O LEU A 36 12.873 8.486 -1.423 1.00 0.84 O ATOM 486 CB LEU A 36 11.707 5.788 -0.358 1.00 0.86 C ATOM 487 CG LEU A 36 13.174 5.411 -0.110 1.00 1.90 C ATOM 488 CD1 LEU A 36 13.910 6.527 0.606 1.00 2.62 C ATOM 489 CD2 LEU A 36 13.261 4.114 0.677 1.00 2.76 C ATOM 0 H LEU A 36 13.033 5.556 -2.493 1.00 0.70 H new ATOM 0 HA LEU A 36 10.363 6.483 -1.880 1.00 0.66 H new ATOM 0 HB2 LEU A 36 11.353 6.369 0.493 1.00 0.86 H new ATOM 0 HB3 LEU A 36 11.117 4.872 -0.386 1.00 0.86 H new ATOM 0 HG LEU A 36 13.656 5.262 -1.076 1.00 1.90 H new ATOM 0 HD11 LEU A 36 14.947 6.233 0.769 1.00 2.62 H new ATOM 0 HD12 LEU A 36 13.880 7.431 -0.002 1.00 2.62 H new ATOM 0 HD13 LEU A 36 13.432 6.720 1.567 1.00 2.62 H new ATOM 0 HD21 LEU A 36 14.308 3.860 0.845 1.00 2.76 H new ATOM 0 HD22 LEU A 36 12.759 4.236 1.637 1.00 2.76 H new ATOM 0 HD23 LEU A 36 12.779 3.314 0.115 1.00 2.76 H new ATOM 501 N GLU A 37 10.667 8.855 -1.319 1.00 0.72 N ATOM 502 CA GLU A 37 10.803 10.262 -0.980 1.00 0.84 C ATOM 503 C GLU A 37 10.751 10.407 0.530 1.00 0.76 C ATOM 504 O GLU A 37 11.340 11.317 1.108 1.00 0.88 O ATOM 505 CB GLU A 37 9.690 11.084 -1.627 1.00 1.02 C ATOM 506 CG GLU A 37 9.652 10.974 -3.141 1.00 1.42 C ATOM 507 CD GLU A 37 8.547 11.807 -3.750 1.00 2.06 C ATOM 508 OE1 GLU A 37 7.413 11.304 -3.863 1.00 2.65 O ATOM 509 OE2 GLU A 37 8.808 12.971 -4.121 1.00 2.58 O ATOM 0 H GLU A 37 9.705 8.545 -1.453 1.00 0.72 H new ATOM 0 HA GLU A 37 11.756 10.634 -1.356 1.00 0.84 H new ATOM 0 HB2 GLU A 37 8.730 10.761 -1.224 1.00 1.02 H new ATOM 0 HB3 GLU A 37 9.816 12.131 -1.351 1.00 1.02 H new ATOM 0 HG2 GLU A 37 10.611 11.292 -3.550 1.00 1.42 H new ATOM 0 HG3 GLU A 37 9.515 9.930 -3.424 1.00 1.42 H new ATOM 516 N ASP A 38 10.034 9.481 1.153 1.00 0.61 N ATOM 517 CA ASP A 38 9.920 9.404 2.590 1.00 0.54 C ATOM 518 C ASP A 38 9.913 7.940 2.976 1.00 0.41 C ATOM 519 O ASP A 38 8.881 7.282 2.890 1.00 0.39 O ATOM 520 CB ASP A 38 8.627 10.064 3.084 1.00 0.60 C ATOM 521 CG ASP A 38 8.594 11.561 2.870 1.00 1.20 C ATOM 522 OD1 ASP A 38 9.085 12.304 3.749 1.00 1.20 O ATOM 523 OD2 ASP A 38 8.095 12.003 1.810 1.00 2.29 O ATOM 0 H ASP A 38 9.511 8.756 0.661 1.00 0.61 H new ATOM 0 HA ASP A 38 10.758 9.931 3.046 1.00 0.54 H new ATOM 0 HB2 ASP A 38 7.779 9.613 2.570 1.00 0.60 H new ATOM 0 HB3 ASP A 38 8.504 9.854 4.147 1.00 0.60 H new ATOM 528 N PRO A 39 11.059 7.394 3.396 1.00 0.41 N ATOM 529 CA PRO A 39 11.173 5.964 3.696 1.00 0.40 C ATOM 530 C PRO A 39 10.303 5.569 4.884 1.00 0.32 C ATOM 531 O PRO A 39 10.092 4.392 5.158 1.00 0.35 O ATOM 532 CB PRO A 39 12.659 5.781 4.022 1.00 0.57 C ATOM 533 CG PRO A 39 13.137 7.135 4.425 1.00 0.64 C ATOM 534 CD PRO A 39 12.321 8.116 3.631 1.00 0.57 C ATOM 0 HA PRO A 39 10.836 5.338 2.870 1.00 0.40 H new ATOM 0 HB2 PRO A 39 12.800 5.058 4.825 1.00 0.57 H new ATOM 0 HB3 PRO A 39 13.210 5.409 3.158 1.00 0.57 H new ATOM 0 HG2 PRO A 39 13.004 7.293 5.495 1.00 0.64 H new ATOM 0 HG3 PRO A 39 14.200 7.252 4.215 1.00 0.64 H new ATOM 0 HD2 PRO A 39 12.158 9.042 4.182 1.00 0.57 H new ATOM 0 HD3 PRO A 39 12.812 8.383 2.695 1.00 0.57 H new ATOM 542 N THR A 40 9.763 6.572 5.556 1.00 0.30 N ATOM 543 CA THR A 40 8.982 6.362 6.763 1.00 0.31 C ATOM 544 C THR A 40 7.555 5.938 6.438 1.00 0.28 C ATOM 545 O THR A 40 6.791 5.549 7.325 1.00 0.48 O ATOM 546 CB THR A 40 8.959 7.642 7.613 1.00 0.42 C ATOM 547 OG1 THR A 40 8.725 8.776 6.765 1.00 0.51 O ATOM 548 CG2 THR A 40 10.273 7.820 8.359 1.00 0.49 C ATOM 0 H THR A 40 9.853 7.550 5.282 1.00 0.30 H new ATOM 0 HA THR A 40 9.457 5.559 7.327 1.00 0.31 H new ATOM 0 HB THR A 40 8.157 7.559 8.346 1.00 0.42 H new ATOM 0 HG1 THR A 40 9.583 9.142 6.464 1.00 0.51 H new ATOM 0 HG21 THR A 40 10.233 8.733 8.954 1.00 0.49 H new ATOM 0 HG22 THR A 40 10.437 6.966 9.016 1.00 0.49 H new ATOM 0 HG23 THR A 40 11.092 7.889 7.643 1.00 0.49 H new ATOM 556 N VAL A 41 7.200 6.005 5.164 1.00 0.20 N ATOM 557 CA VAL A 41 5.860 5.654 4.734 1.00 0.17 C ATOM 558 C VAL A 41 5.671 4.143 4.710 1.00 0.14 C ATOM 559 O VAL A 41 6.638 3.377 4.674 1.00 0.15 O ATOM 560 CB VAL A 41 5.532 6.224 3.339 1.00 0.20 C ATOM 561 CG1 VAL A 41 5.730 7.729 3.320 1.00 0.24 C ATOM 562 CG2 VAL A 41 6.366 5.554 2.254 1.00 0.23 C ATOM 0 H VAL A 41 7.823 6.299 4.412 1.00 0.20 H new ATOM 0 HA VAL A 41 5.177 6.097 5.459 1.00 0.17 H new ATOM 0 HB VAL A 41 4.484 6.010 3.127 1.00 0.20 H new ATOM 0 HG11 VAL A 41 5.494 8.115 2.328 1.00 0.24 H new ATOM 0 HG12 VAL A 41 5.072 8.192 4.055 1.00 0.24 H new ATOM 0 HG13 VAL A 41 6.767 7.963 3.563 1.00 0.24 H new ATOM 0 HG21 VAL A 41 6.110 5.979 1.284 1.00 0.23 H new ATOM 0 HG22 VAL A 41 7.425 5.719 2.455 1.00 0.23 H new ATOM 0 HG23 VAL A 41 6.161 4.483 2.247 1.00 0.23 H new ATOM 572 N LEU A 42 4.421 3.727 4.745 1.00 0.14 N ATOM 573 CA LEU A 42 4.083 2.322 4.645 1.00 0.14 C ATOM 574 C LEU A 42 3.824 1.965 3.197 1.00 0.12 C ATOM 575 O LEU A 42 3.045 2.633 2.513 1.00 0.15 O ATOM 576 CB LEU A 42 2.848 1.999 5.490 1.00 0.16 C ATOM 577 CG LEU A 42 2.999 2.247 6.992 1.00 0.17 C ATOM 578 CD1 LEU A 42 1.700 1.936 7.719 1.00 0.20 C ATOM 579 CD2 LEU A 42 4.137 1.410 7.551 1.00 0.22 C ATOM 0 H LEU A 42 3.617 4.347 4.843 1.00 0.14 H new ATOM 0 HA LEU A 42 4.920 1.734 5.022 1.00 0.14 H new ATOM 0 HB2 LEU A 42 2.012 2.594 5.123 1.00 0.16 H new ATOM 0 HB3 LEU A 42 2.587 0.952 5.336 1.00 0.16 H new ATOM 0 HG LEU A 42 3.233 3.300 7.148 1.00 0.17 H new ATOM 0 HD11 LEU A 42 1.828 2.119 8.786 1.00 0.20 H new ATOM 0 HD12 LEU A 42 0.905 2.575 7.334 1.00 0.20 H new ATOM 0 HD13 LEU A 42 1.435 0.891 7.559 1.00 0.20 H new ATOM 0 HD21 LEU A 42 4.234 1.596 8.621 1.00 0.22 H new ATOM 0 HD22 LEU A 42 3.928 0.353 7.384 1.00 0.22 H new ATOM 0 HD23 LEU A 42 5.067 1.679 7.050 1.00 0.22 H new ATOM 591 N ILE A 43 4.491 0.930 2.729 1.00 0.11 N ATOM 592 CA ILE A 43 4.285 0.453 1.378 1.00 0.10 C ATOM 593 C ILE A 43 3.497 -0.843 1.400 1.00 0.11 C ATOM 594 O ILE A 43 3.713 -1.706 2.256 1.00 0.15 O ATOM 595 CB ILE A 43 5.605 0.257 0.599 1.00 0.11 C ATOM 596 CG1 ILE A 43 6.629 -0.519 1.427 1.00 0.11 C ATOM 597 CG2 ILE A 43 6.169 1.606 0.176 1.00 0.13 C ATOM 598 CD1 ILE A 43 7.845 -0.939 0.633 1.00 0.14 C ATOM 0 H ILE A 43 5.181 0.403 3.265 1.00 0.11 H new ATOM 0 HA ILE A 43 3.721 1.224 0.853 1.00 0.10 H new ATOM 0 HB ILE A 43 5.389 -0.330 -0.293 1.00 0.11 H new ATOM 0 HG12 ILE A 43 6.948 0.097 2.268 1.00 0.11 H new ATOM 0 HG13 ILE A 43 6.152 -1.406 1.844 1.00 0.11 H new ATOM 0 HG21 ILE A 43 7.099 1.456 -0.372 1.00 0.13 H new ATOM 0 HG22 ILE A 43 5.449 2.117 -0.464 1.00 0.13 H new ATOM 0 HG23 ILE A 43 6.363 2.213 1.060 1.00 0.13 H new ATOM 0 HD11 ILE A 43 8.531 -1.485 1.280 1.00 0.14 H new ATOM 0 HD12 ILE A 43 7.537 -1.581 -0.193 1.00 0.14 H new ATOM 0 HD13 ILE A 43 8.345 -0.055 0.238 1.00 0.14 H new ATOM 610 N GLY A 44 2.572 -0.965 0.473 1.00 0.13 N ATOM 611 CA GLY A 44 1.703 -2.109 0.452 1.00 0.16 C ATOM 612 C GLY A 44 2.012 -3.061 -0.673 1.00 0.17 C ATOM 613 O GLY A 44 1.610 -2.841 -1.812 1.00 0.31 O ATOM 0 H GLY A 44 2.407 -0.287 -0.271 1.00 0.13 H new ATOM 0 HA2 GLY A 44 1.785 -2.638 1.401 1.00 0.16 H new ATOM 0 HA3 GLY A 44 0.670 -1.772 0.363 1.00 0.16 H new ATOM 617 N ASP A 45 2.729 -4.117 -0.356 1.00 0.18 N ATOM 618 CA ASP A 45 2.983 -5.180 -1.314 1.00 0.20 C ATOM 619 C ASP A 45 1.746 -6.054 -1.410 1.00 0.20 C ATOM 620 O ASP A 45 1.114 -6.354 -0.399 1.00 0.29 O ATOM 621 CB ASP A 45 4.203 -6.010 -0.897 1.00 0.32 C ATOM 622 CG ASP A 45 4.355 -7.286 -1.703 1.00 0.30 C ATOM 623 OD1 ASP A 45 4.836 -7.213 -2.851 1.00 0.42 O ATOM 624 OD2 ASP A 45 3.996 -8.367 -1.195 1.00 0.57 O ATOM 0 H ASP A 45 3.150 -4.266 0.561 1.00 0.18 H new ATOM 0 HA ASP A 45 3.201 -4.746 -2.290 1.00 0.20 H new ATOM 0 HB2 ASP A 45 5.103 -5.406 -1.011 1.00 0.32 H new ATOM 0 HB3 ASP A 45 4.120 -6.262 0.160 1.00 0.32 H new ATOM 629 N GLY A 46 1.376 -6.431 -2.619 1.00 0.18 N ATOM 630 CA GLY A 46 0.176 -7.222 -2.793 1.00 0.21 C ATOM 631 C GLY A 46 -1.082 -6.420 -2.534 1.00 0.18 C ATOM 632 O GLY A 46 -2.034 -6.921 -1.943 1.00 0.18 O ATOM 0 H GLY A 46 1.878 -6.207 -3.478 1.00 0.18 H new ATOM 0 HA2 GLY A 46 0.149 -7.619 -3.808 1.00 0.21 H new ATOM 0 HA3 GLY A 46 0.205 -8.077 -2.117 1.00 0.21 H new ATOM 636 N CYS A 47 -1.089 -5.174 -2.967 1.00 0.17 N ATOM 637 CA CYS A 47 -2.196 -4.282 -2.678 1.00 0.15 C ATOM 638 C CYS A 47 -3.083 -4.112 -3.895 1.00 0.19 C ATOM 639 O CYS A 47 -2.685 -3.523 -4.900 1.00 0.25 O ATOM 640 CB CYS A 47 -1.683 -2.924 -2.216 1.00 0.15 C ATOM 641 SG CYS A 47 -2.675 -2.159 -0.899 1.00 0.12 S ATOM 0 H CYS A 47 -0.341 -4.756 -3.520 1.00 0.17 H new ATOM 0 HA CYS A 47 -2.786 -4.728 -1.877 1.00 0.15 H new ATOM 0 HB2 CYS A 47 -0.658 -3.037 -1.864 1.00 0.15 H new ATOM 0 HB3 CYS A 47 -1.654 -2.249 -3.072 1.00 0.15 H new ATOM 646 N ASP A 48 -4.285 -4.638 -3.792 1.00 0.19 N ATOM 647 CA ASP A 48 -5.265 -4.522 -4.856 1.00 0.24 C ATOM 648 C ASP A 48 -6.160 -3.325 -4.584 1.00 0.21 C ATOM 649 O ASP A 48 -6.582 -3.109 -3.446 1.00 0.19 O ATOM 650 CB ASP A 48 -6.128 -5.784 -4.952 1.00 0.30 C ATOM 651 CG ASP A 48 -5.317 -7.046 -5.160 1.00 1.50 C ATOM 652 OD1 ASP A 48 -5.108 -7.445 -6.327 1.00 2.21 O ATOM 653 OD2 ASP A 48 -4.875 -7.645 -4.158 1.00 2.02 O ATOM 0 H ASP A 48 -4.611 -5.155 -2.975 1.00 0.19 H new ATOM 0 HA ASP A 48 -4.735 -4.393 -5.800 1.00 0.24 H new ATOM 0 HB2 ASP A 48 -6.717 -5.884 -4.040 1.00 0.30 H new ATOM 0 HB3 ASP A 48 -6.833 -5.673 -5.776 1.00 0.30 H new ATOM 658 N PRO A 49 -6.452 -2.522 -5.611 1.00 0.26 N ATOM 659 CA PRO A 49 -7.355 -1.386 -5.479 1.00 0.28 C ATOM 660 C PRO A 49 -8.771 -1.855 -5.184 1.00 0.31 C ATOM 661 O PRO A 49 -9.365 -2.588 -5.977 1.00 0.37 O ATOM 662 CB PRO A 49 -7.299 -0.687 -6.843 1.00 0.35 C ATOM 663 CG PRO A 49 -6.181 -1.326 -7.599 1.00 0.44 C ATOM 664 CD PRO A 49 -5.942 -2.672 -6.979 1.00 0.34 C ATOM 0 HA PRO A 49 -7.068 -0.727 -4.660 1.00 0.28 H new ATOM 0 HB2 PRO A 49 -8.243 -0.800 -7.376 1.00 0.35 H new ATOM 0 HB3 PRO A 49 -7.126 0.383 -6.724 1.00 0.35 H new ATOM 0 HG2 PRO A 49 -6.438 -1.428 -8.653 1.00 0.44 H new ATOM 0 HG3 PRO A 49 -5.281 -0.713 -7.548 1.00 0.44 H new ATOM 0 HD2 PRO A 49 -6.468 -3.460 -7.518 1.00 0.34 H new ATOM 0 HD3 PRO A 49 -4.884 -2.933 -6.985 1.00 0.34 H new ATOM 672 N ILE A 50 -9.315 -1.449 -4.045 1.00 0.30 N ATOM 673 CA ILE A 50 -10.635 -1.907 -3.653 1.00 0.36 C ATOM 674 C ILE A 50 -11.704 -1.160 -4.435 1.00 0.43 C ATOM 675 O ILE A 50 -12.206 -0.122 -4.010 1.00 0.46 O ATOM 676 CB ILE A 50 -10.892 -1.738 -2.142 1.00 0.36 C ATOM 677 CG1 ILE A 50 -9.712 -2.270 -1.337 1.00 0.29 C ATOM 678 CG2 ILE A 50 -12.155 -2.478 -1.745 1.00 0.44 C ATOM 679 CD1 ILE A 50 -9.915 -2.177 0.158 1.00 0.31 C ATOM 0 H ILE A 50 -8.868 -0.812 -3.386 1.00 0.30 H new ATOM 0 HA ILE A 50 -10.681 -2.972 -3.880 1.00 0.36 H new ATOM 0 HB ILE A 50 -11.013 -0.676 -1.929 1.00 0.36 H new ATOM 0 HG12 ILE A 50 -9.536 -3.311 -1.608 1.00 0.29 H new ATOM 0 HG13 ILE A 50 -8.815 -1.714 -1.610 1.00 0.29 H new ATOM 0 HG21 ILE A 50 -12.329 -2.353 -0.676 1.00 0.44 H new ATOM 0 HG22 ILE A 50 -13.002 -2.075 -2.300 1.00 0.44 H new ATOM 0 HG23 ILE A 50 -12.043 -3.538 -1.973 1.00 0.44 H new ATOM 0 HD11 ILE A 50 -9.038 -2.573 0.670 1.00 0.31 H new ATOM 0 HD12 ILE A 50 -10.061 -1.135 0.441 1.00 0.31 H new ATOM 0 HD13 ILE A 50 -10.793 -2.757 0.443 1.00 0.31 H new ATOM 691 N THR A 51 -12.035 -1.699 -5.588 1.00 0.54 N ATOM 692 CA THR A 51 -13.038 -1.100 -6.448 1.00 0.64 C ATOM 693 C THR A 51 -13.999 -2.168 -6.957 1.00 0.79 C ATOM 694 O THR A 51 -14.861 -1.914 -7.796 1.00 0.88 O ATOM 695 CB THR A 51 -12.374 -0.350 -7.628 1.00 0.66 C ATOM 696 OG1 THR A 51 -13.355 0.364 -8.392 1.00 0.78 O ATOM 697 CG2 THR A 51 -11.620 -1.314 -8.533 1.00 0.70 C ATOM 0 H THR A 51 -11.622 -2.556 -5.955 1.00 0.54 H new ATOM 0 HA THR A 51 -13.604 -0.373 -5.866 1.00 0.64 H new ATOM 0 HB THR A 51 -11.664 0.363 -7.208 1.00 0.66 H new ATOM 0 HG1 THR A 51 -14.194 -0.143 -8.403 1.00 0.78 H new ATOM 0 HG21 THR A 51 -11.163 -0.761 -9.354 1.00 0.70 H new ATOM 0 HG22 THR A 51 -10.843 -1.819 -7.959 1.00 0.70 H new ATOM 0 HG23 THR A 51 -12.313 -2.053 -8.935 1.00 0.70 H new ATOM 705 N VAL A 52 -13.857 -3.361 -6.411 1.00 0.88 N ATOM 706 CA VAL A 52 -14.713 -4.472 -6.767 1.00 1.10 C ATOM 707 C VAL A 52 -15.807 -4.620 -5.714 1.00 1.38 C ATOM 708 O VAL A 52 -15.666 -4.093 -4.607 1.00 1.44 O ATOM 709 CB VAL A 52 -13.899 -5.782 -6.880 1.00 1.13 C ATOM 710 CG1 VAL A 52 -13.495 -6.294 -5.505 1.00 1.17 C ATOM 711 CG2 VAL A 52 -14.673 -6.838 -7.649 1.00 1.44 C ATOM 0 H VAL A 52 -13.148 -3.585 -5.712 1.00 0.88 H new ATOM 0 HA VAL A 52 -15.164 -4.273 -7.739 1.00 1.10 H new ATOM 0 HB VAL A 52 -12.987 -5.563 -7.436 1.00 1.13 H new ATOM 0 HG11 VAL A 52 -12.924 -7.216 -5.613 1.00 1.17 H new ATOM 0 HG12 VAL A 52 -12.883 -5.545 -5.003 1.00 1.17 H new ATOM 0 HG13 VAL A 52 -14.389 -6.488 -4.912 1.00 1.17 H new ATOM 0 HG21 VAL A 52 -14.079 -7.749 -7.714 1.00 1.44 H new ATOM 0 HG22 VAL A 52 -15.609 -7.051 -7.132 1.00 1.44 H new ATOM 0 HG23 VAL A 52 -14.888 -6.472 -8.653 1.00 1.44 H new ATOM 721 N ALA A 53 -16.894 -5.300 -6.075 1.00 1.71 N ATOM 722 CA ALA A 53 -17.999 -5.561 -5.153 1.00 2.11 C ATOM 723 C ALA A 53 -18.665 -4.259 -4.710 1.00 2.05 C ATOM 724 O ALA A 53 -18.385 -3.188 -5.253 1.00 2.54 O ATOM 725 CB ALA A 53 -17.513 -6.354 -3.945 1.00 2.94 C ATOM 0 H ALA A 53 -17.034 -5.684 -7.010 1.00 1.71 H new ATOM 0 HA ALA A 53 -18.744 -6.157 -5.680 1.00 2.11 H new ATOM 0 HB1 ALA A 53 -18.349 -6.538 -3.270 1.00 2.94 H new ATOM 0 HB2 ALA A 53 -17.098 -7.306 -4.277 1.00 2.94 H new ATOM 0 HB3 ALA A 53 -16.744 -5.786 -3.422 1.00 2.94 H new ATOM 731 N GLY A 54 -19.572 -4.363 -3.752 1.00 2.23 N ATOM 732 CA GLY A 54 -20.216 -3.188 -3.203 1.00 2.81 C ATOM 733 C GLY A 54 -20.104 -3.143 -1.694 1.00 2.91 C ATOM 734 O GLY A 54 -20.572 -2.205 -1.053 1.00 3.50 O ATOM 0 H GLY A 54 -19.876 -5.246 -3.342 1.00 2.23 H new ATOM 0 HA2 GLY A 54 -19.763 -2.292 -3.629 1.00 2.81 H new ATOM 0 HA3 GLY A 54 -21.267 -3.181 -3.490 1.00 2.81 H new ATOM 738 N SER A 55 -19.484 -4.168 -1.130 1.00 2.88 N ATOM 739 CA SER A 55 -19.287 -4.257 0.305 1.00 3.27 C ATOM 740 C SER A 55 -17.891 -3.768 0.677 1.00 2.84 C ATOM 741 O SER A 55 -16.948 -3.894 -0.108 1.00 3.08 O ATOM 742 CB SER A 55 -19.485 -5.704 0.759 1.00 4.15 C ATOM 743 OG SER A 55 -20.771 -6.174 0.391 1.00 4.90 O ATOM 0 H SER A 55 -19.105 -4.958 -1.653 1.00 2.88 H new ATOM 0 HA SER A 55 -20.017 -3.623 0.808 1.00 3.27 H new ATOM 0 HB2 SER A 55 -18.719 -6.338 0.313 1.00 4.15 H new ATOM 0 HB3 SER A 55 -19.364 -5.771 1.840 1.00 4.15 H new ATOM 0 HG SER A 55 -20.878 -7.102 0.689 1.00 4.90 H new ATOM 749 N SER A 56 -17.771 -3.200 1.873 1.00 2.68 N ATOM 750 CA SER A 56 -16.501 -2.685 2.367 1.00 2.71 C ATOM 751 C SER A 56 -15.515 -3.823 2.608 1.00 2.12 C ATOM 752 O SER A 56 -14.301 -3.635 2.540 1.00 2.50 O ATOM 753 CB SER A 56 -16.718 -1.909 3.664 1.00 3.33 C ATOM 754 OG SER A 56 -17.744 -0.936 3.517 1.00 4.06 O ATOM 0 H SER A 56 -18.548 -3.085 2.523 1.00 2.68 H new ATOM 0 HA SER A 56 -16.086 -2.017 1.612 1.00 2.71 H new ATOM 0 HB2 SER A 56 -16.981 -2.600 4.464 1.00 3.33 H new ATOM 0 HB3 SER A 56 -15.789 -1.420 3.958 1.00 3.33 H new ATOM 0 HG SER A 56 -17.863 -0.456 4.363 1.00 4.06 H new ATOM 760 N ASP A 57 -16.050 -5.008 2.884 1.00 1.64 N ATOM 761 CA ASP A 57 -15.229 -6.189 3.108 1.00 1.50 C ATOM 762 C ASP A 57 -14.850 -6.819 1.769 1.00 1.07 C ATOM 763 O ASP A 57 -15.162 -7.974 1.479 1.00 1.44 O ATOM 764 CB ASP A 57 -15.963 -7.195 4.002 1.00 2.15 C ATOM 765 CG ASP A 57 -15.105 -8.389 4.380 1.00 2.62 C ATOM 766 OD1 ASP A 57 -15.465 -9.527 4.013 1.00 3.12 O ATOM 767 OD2 ASP A 57 -14.068 -8.197 5.050 1.00 3.13 O ATOM 0 H ASP A 57 -17.054 -5.174 2.958 1.00 1.64 H new ATOM 0 HA ASP A 57 -14.315 -5.893 3.623 1.00 1.50 H new ATOM 0 HB2 ASP A 57 -16.295 -6.691 4.910 1.00 2.15 H new ATOM 0 HB3 ASP A 57 -16.857 -7.546 3.487 1.00 2.15 H new ATOM 772 N ALA A 58 -14.205 -6.016 0.942 1.00 0.67 N ATOM 773 CA ALA A 58 -13.694 -6.467 -0.341 1.00 0.66 C ATOM 774 C ALA A 58 -12.189 -6.653 -0.250 1.00 0.60 C ATOM 775 O ALA A 58 -11.481 -6.687 -1.258 1.00 0.83 O ATOM 776 CB ALA A 58 -14.040 -5.464 -1.429 1.00 0.99 C ATOM 0 H ALA A 58 -14.020 -5.033 1.140 1.00 0.67 H new ATOM 0 HA ALA A 58 -14.156 -7.420 -0.596 1.00 0.66 H new ATOM 0 HB1 ALA A 58 -13.651 -5.815 -2.385 1.00 0.99 H new ATOM 0 HB2 ALA A 58 -15.123 -5.358 -1.495 1.00 0.99 H new ATOM 0 HB3 ALA A 58 -13.595 -4.498 -1.189 1.00 0.99 H new ATOM 782 N CYS A 59 -11.712 -6.754 0.977 1.00 0.45 N ATOM 783 CA CYS A 59 -10.294 -6.882 1.245 1.00 0.54 C ATOM 784 C CYS A 59 -9.989 -8.275 1.783 1.00 0.55 C ATOM 785 O CYS A 59 -10.858 -8.929 2.362 1.00 0.74 O ATOM 786 CB CYS A 59 -9.865 -5.803 2.242 1.00 0.73 C ATOM 787 SG CYS A 59 -8.095 -5.832 2.680 1.00 0.74 S ATOM 0 H CYS A 59 -12.296 -6.750 1.813 1.00 0.45 H new ATOM 0 HA CYS A 59 -9.732 -6.746 0.321 1.00 0.54 H new ATOM 0 HB2 CYS A 59 -10.106 -4.825 1.825 1.00 0.73 H new ATOM 0 HB3 CYS A 59 -10.453 -5.915 3.153 1.00 0.73 H new ATOM 792 N SER A 60 -8.762 -8.731 1.578 1.00 0.64 N ATOM 793 CA SER A 60 -8.363 -10.064 1.991 1.00 0.86 C ATOM 794 C SER A 60 -7.114 -10.016 2.870 1.00 0.71 C ATOM 795 O SER A 60 -6.433 -11.026 3.043 1.00 1.05 O ATOM 796 CB SER A 60 -8.096 -10.918 0.756 1.00 1.24 C ATOM 797 OG SER A 60 -9.117 -10.744 -0.216 1.00 2.14 O ATOM 0 H SER A 60 -8.023 -8.192 1.125 1.00 0.64 H new ATOM 0 HA SER A 60 -9.171 -10.503 2.576 1.00 0.86 H new ATOM 0 HB2 SER A 60 -7.131 -10.650 0.326 1.00 1.24 H new ATOM 0 HB3 SER A 60 -8.037 -11.968 1.042 1.00 1.24 H new ATOM 0 HG SER A 60 -8.922 -11.301 -0.999 1.00 2.14 H new ATOM 803 N ALA A 61 -6.815 -8.844 3.426 1.00 0.38 N ATOM 804 CA ALA A 61 -5.625 -8.683 4.254 1.00 0.32 C ATOM 805 C ALA A 61 -5.690 -7.419 5.111 1.00 0.32 C ATOM 806 O ALA A 61 -5.965 -7.487 6.307 1.00 0.54 O ATOM 807 CB ALA A 61 -4.373 -8.678 3.387 1.00 0.38 C ATOM 0 H ALA A 61 -7.376 -7.999 3.319 1.00 0.38 H new ATOM 0 HA ALA A 61 -5.582 -9.533 4.935 1.00 0.32 H new ATOM 0 HB1 ALA A 61 -3.493 -8.557 4.019 1.00 0.38 H new ATOM 0 HB2 ALA A 61 -4.303 -9.620 2.844 1.00 0.38 H new ATOM 0 HB3 ALA A 61 -4.426 -7.853 2.677 1.00 0.38 H new ATOM 813 N THR A 62 -5.434 -6.264 4.506 1.00 0.22 N ATOM 814 CA THR A 62 -5.394 -5.009 5.249 1.00 0.19 C ATOM 815 C THR A 62 -5.872 -3.839 4.393 1.00 0.18 C ATOM 816 O THR A 62 -5.430 -3.667 3.257 1.00 0.20 O ATOM 817 CB THR A 62 -3.962 -4.719 5.750 1.00 0.22 C ATOM 818 OG1 THR A 62 -3.493 -5.810 6.554 1.00 0.29 O ATOM 819 CG2 THR A 62 -3.904 -3.433 6.563 1.00 0.24 C ATOM 0 H THR A 62 -5.252 -6.170 3.507 1.00 0.22 H new ATOM 0 HA THR A 62 -6.065 -5.117 6.102 1.00 0.19 H new ATOM 0 HB THR A 62 -3.323 -4.601 4.875 1.00 0.22 H new ATOM 0 HG1 THR A 62 -2.584 -5.619 6.866 1.00 0.29 H new ATOM 0 HG21 THR A 62 -2.881 -3.261 6.899 1.00 0.24 H new ATOM 0 HG22 THR A 62 -4.228 -2.596 5.944 1.00 0.24 H new ATOM 0 HG23 THR A 62 -4.561 -3.520 7.429 1.00 0.24 H new ATOM 827 N ALA A 63 -6.773 -3.041 4.949 1.00 0.19 N ATOM 828 CA ALA A 63 -7.273 -1.855 4.275 1.00 0.20 C ATOM 829 C ALA A 63 -6.379 -0.670 4.583 1.00 0.17 C ATOM 830 O ALA A 63 -6.125 -0.355 5.749 1.00 0.19 O ATOM 831 CB ALA A 63 -8.703 -1.554 4.700 1.00 0.25 C ATOM 0 H ALA A 63 -7.174 -3.197 5.874 1.00 0.19 H new ATOM 0 HA ALA A 63 -7.266 -2.040 3.201 1.00 0.20 H new ATOM 0 HB1 ALA A 63 -9.056 -0.662 4.183 1.00 0.25 H new ATOM 0 HB2 ALA A 63 -9.344 -2.399 4.446 1.00 0.25 H new ATOM 0 HB3 ALA A 63 -8.735 -1.386 5.776 1.00 0.25 H new ATOM 837 N VAL A 64 -5.900 -0.024 3.542 1.00 0.14 N ATOM 838 CA VAL A 64 -5.008 1.110 3.691 1.00 0.13 C ATOM 839 C VAL A 64 -5.357 2.208 2.704 1.00 0.14 C ATOM 840 O VAL A 64 -6.010 1.967 1.693 1.00 0.21 O ATOM 841 CB VAL A 64 -3.545 0.706 3.471 1.00 0.15 C ATOM 842 CG1 VAL A 64 -3.002 -0.088 4.649 1.00 0.14 C ATOM 843 CG2 VAL A 64 -3.430 -0.089 2.185 1.00 0.19 C ATOM 0 H VAL A 64 -6.115 -0.266 2.575 1.00 0.14 H new ATOM 0 HA VAL A 64 -5.132 1.475 4.710 1.00 0.13 H new ATOM 0 HB VAL A 64 -2.943 1.611 3.390 1.00 0.15 H new ATOM 0 HG11 VAL A 64 -1.963 -0.357 4.458 1.00 0.14 H new ATOM 0 HG12 VAL A 64 -3.060 0.518 5.554 1.00 0.14 H new ATOM 0 HG13 VAL A 64 -3.593 -0.994 4.781 1.00 0.14 H new ATOM 0 HG21 VAL A 64 -2.391 -0.377 2.027 1.00 0.19 H new ATOM 0 HG22 VAL A 64 -4.048 -0.984 2.254 1.00 0.19 H new ATOM 0 HG23 VAL A 64 -3.768 0.522 1.348 1.00 0.19 H new ATOM 853 N CYS A 65 -4.910 3.406 3.006 1.00 0.17 N ATOM 854 CA CYS A 65 -5.152 4.556 2.161 1.00 0.17 C ATOM 855 C CYS A 65 -3.826 5.112 1.657 1.00 0.13 C ATOM 856 O CYS A 65 -3.093 5.758 2.410 1.00 0.14 O ATOM 857 CB CYS A 65 -5.917 5.608 2.965 1.00 0.23 C ATOM 858 SG CYS A 65 -6.324 7.134 2.058 1.00 0.39 S ATOM 0 H CYS A 65 -4.368 3.612 3.845 1.00 0.17 H new ATOM 0 HA CYS A 65 -5.749 4.269 1.295 1.00 0.17 H new ATOM 0 HB2 CYS A 65 -6.843 5.162 3.328 1.00 0.23 H new ATOM 0 HB3 CYS A 65 -5.326 5.872 3.842 1.00 0.23 H new ATOM 863 N CYS A 66 -3.501 4.836 0.399 1.00 0.12 N ATOM 864 CA CYS A 66 -2.222 5.251 -0.159 1.00 0.13 C ATOM 865 C CYS A 66 -2.324 6.615 -0.828 1.00 0.16 C ATOM 866 O CYS A 66 -3.248 6.884 -1.600 1.00 0.23 O ATOM 867 CB CYS A 66 -1.715 4.200 -1.140 1.00 0.19 C ATOM 868 SG CYS A 66 -1.799 2.503 -0.480 1.00 0.65 S ATOM 0 H CYS A 66 -4.103 4.329 -0.250 1.00 0.12 H new ATOM 0 HA CYS A 66 -1.506 5.343 0.658 1.00 0.13 H new ATOM 0 HB2 CYS A 66 -2.301 4.256 -2.057 1.00 0.19 H new ATOM 0 HB3 CYS A 66 -0.683 4.429 -1.407 1.00 0.19 H new ATOM 873 N SER A 67 -1.370 7.476 -0.507 1.00 0.24 N ATOM 874 CA SER A 67 -1.349 8.836 -1.016 1.00 0.29 C ATOM 875 C SER A 67 -0.478 8.947 -2.266 1.00 0.32 C ATOM 876 O SER A 67 -0.564 9.924 -3.013 1.00 0.41 O ATOM 877 CB SER A 67 -0.833 9.767 0.077 1.00 0.35 C ATOM 878 OG SER A 67 -1.512 9.526 1.300 1.00 1.15 O ATOM 0 H SER A 67 -0.591 7.251 0.112 1.00 0.24 H new ATOM 0 HA SER A 67 -2.362 9.123 -1.298 1.00 0.29 H new ATOM 0 HB2 SER A 67 0.238 9.618 0.214 1.00 0.35 H new ATOM 0 HB3 SER A 67 -0.974 10.805 -0.225 1.00 0.35 H new ATOM 0 HG SER A 67 -1.167 10.130 1.990 1.00 1.15 H new ATOM 884 N ASP A 68 0.347 7.938 -2.492 1.00 0.30 N ATOM 885 CA ASP A 68 1.258 7.928 -3.631 1.00 0.37 C ATOM 886 C ASP A 68 0.802 6.880 -4.643 1.00 0.44 C ATOM 887 O ASP A 68 0.511 5.740 -4.276 1.00 0.57 O ATOM 888 CB ASP A 68 2.688 7.643 -3.155 1.00 0.43 C ATOM 889 CG ASP A 68 3.724 7.776 -4.255 1.00 1.03 C ATOM 890 OD1 ASP A 68 3.673 7.001 -5.224 1.00 1.60 O ATOM 891 OD2 ASP A 68 4.609 8.658 -4.143 1.00 1.52 O ATOM 0 H ASP A 68 0.407 7.110 -1.900 1.00 0.30 H new ATOM 0 HA ASP A 68 1.248 8.905 -4.114 1.00 0.37 H new ATOM 0 HB2 ASP A 68 2.938 8.329 -2.345 1.00 0.43 H new ATOM 0 HB3 ASP A 68 2.732 6.635 -2.744 1.00 0.43 H new ATOM 896 N ASN A 69 0.737 7.268 -5.911 1.00 0.53 N ATOM 897 CA ASN A 69 0.167 6.407 -6.945 1.00 0.63 C ATOM 898 C ASN A 69 1.228 5.841 -7.883 1.00 0.59 C ATOM 899 O ASN A 69 0.911 5.420 -8.997 1.00 0.64 O ATOM 900 CB ASN A 69 -0.877 7.171 -7.765 1.00 0.84 C ATOM 901 CG ASN A 69 -2.186 7.367 -7.024 1.00 1.67 C ATOM 902 OD1 ASN A 69 -2.580 6.541 -6.200 1.00 2.35 O ATOM 903 ND2 ASN A 69 -2.874 8.457 -7.321 1.00 2.49 N ATOM 0 H ASN A 69 1.071 8.171 -6.249 1.00 0.53 H new ATOM 0 HA ASN A 69 -0.304 5.571 -6.429 1.00 0.63 H new ATOM 0 HB2 ASN A 69 -0.473 8.145 -8.041 1.00 0.84 H new ATOM 0 HB3 ASN A 69 -1.068 6.631 -8.692 1.00 0.84 H new ATOM 0 HD21 ASN A 69 -3.766 8.638 -6.861 1.00 2.49 H new ATOM 0 HD22 ASN A 69 -2.512 9.117 -8.010 1.00 2.49 H new ATOM 910 N ASN A 70 2.479 5.813 -7.444 1.00 0.59 N ATOM 911 CA ASN A 70 3.544 5.228 -8.254 1.00 0.64 C ATOM 912 C ASN A 70 3.578 3.718 -8.063 1.00 0.55 C ATOM 913 O ASN A 70 4.562 3.152 -7.588 1.00 0.86 O ATOM 914 CB ASN A 70 4.907 5.840 -7.914 1.00 0.83 C ATOM 915 CG ASN A 70 5.006 7.297 -8.320 1.00 1.50 C ATOM 916 OD1 ASN A 70 5.377 7.618 -9.450 1.00 2.24 O ATOM 917 ND2 ASN A 70 4.679 8.188 -7.402 1.00 2.27 N ATOM 0 H ASN A 70 2.781 6.183 -6.543 1.00 0.59 H new ATOM 0 HA ASN A 70 3.332 5.450 -9.300 1.00 0.64 H new ATOM 0 HB2 ASN A 70 5.084 5.752 -6.842 1.00 0.83 H new ATOM 0 HB3 ASN A 70 5.692 5.272 -8.414 1.00 0.83 H new ATOM 0 HD21 ASN A 70 4.729 9.184 -7.617 1.00 2.27 H new ATOM 0 HD22 ASN A 70 4.377 7.880 -6.478 1.00 2.27 H new ATOM 924 N VAL A 71 2.485 3.071 -8.435 1.00 0.41 N ATOM 925 CA VAL A 71 2.352 1.637 -8.286 1.00 0.38 C ATOM 926 C VAL A 71 3.198 0.895 -9.316 1.00 0.33 C ATOM 927 O VAL A 71 3.437 1.391 -10.417 1.00 0.38 O ATOM 928 CB VAL A 71 0.877 1.208 -8.419 1.00 0.52 C ATOM 929 CG1 VAL A 71 0.057 1.767 -7.267 1.00 1.10 C ATOM 930 CG2 VAL A 71 0.295 1.658 -9.753 1.00 1.03 C ATOM 0 H VAL A 71 1.670 3.526 -8.847 1.00 0.41 H new ATOM 0 HA VAL A 71 2.710 1.377 -7.290 1.00 0.38 H new ATOM 0 HB VAL A 71 0.836 0.119 -8.382 1.00 0.52 H new ATOM 0 HG11 VAL A 71 -0.982 1.455 -7.375 1.00 1.10 H new ATOM 0 HG12 VAL A 71 0.452 1.391 -6.323 1.00 1.10 H new ATOM 0 HG13 VAL A 71 0.112 2.856 -7.276 1.00 1.10 H new ATOM 0 HG21 VAL A 71 -0.746 1.343 -9.821 1.00 1.03 H new ATOM 0 HG22 VAL A 71 0.351 2.744 -9.826 1.00 1.03 H new ATOM 0 HG23 VAL A 71 0.864 1.210 -10.568 1.00 1.03 H new ATOM 940 N SER A 72 3.671 -0.281 -8.936 1.00 0.32 N ATOM 941 CA SER A 72 4.476 -1.111 -9.819 1.00 0.37 C ATOM 942 C SER A 72 3.599 -2.137 -10.527 1.00 0.42 C ATOM 943 O SER A 72 4.055 -2.863 -11.410 1.00 0.55 O ATOM 944 CB SER A 72 5.556 -1.826 -9.009 1.00 0.45 C ATOM 945 OG SER A 72 4.971 -2.660 -8.026 1.00 1.41 O ATOM 0 H SER A 72 3.510 -0.685 -8.014 1.00 0.32 H new ATOM 0 HA SER A 72 4.946 -0.475 -10.569 1.00 0.37 H new ATOM 0 HB2 SER A 72 6.182 -2.422 -9.673 1.00 0.45 H new ATOM 0 HB3 SER A 72 6.206 -1.092 -8.532 1.00 0.45 H new ATOM 0 HG SER A 72 5.571 -2.727 -7.254 1.00 1.41 H new ATOM 951 N GLY A 73 2.333 -2.177 -10.137 1.00 0.39 N ATOM 952 CA GLY A 73 1.418 -3.164 -10.670 1.00 0.48 C ATOM 953 C GLY A 73 0.694 -3.921 -9.586 1.00 0.41 C ATOM 954 O GLY A 73 -0.459 -4.313 -9.768 1.00 0.48 O ATOM 0 H GLY A 73 1.922 -1.539 -9.456 1.00 0.39 H new ATOM 0 HA2 GLY A 73 0.690 -2.670 -11.313 1.00 0.48 H new ATOM 0 HA3 GLY A 73 1.969 -3.867 -11.294 1.00 0.48 H new ATOM 958 N VAL A 74 1.345 -4.119 -8.446 1.00 0.31 N ATOM 959 CA VAL A 74 0.695 -4.798 -7.332 1.00 0.28 C ATOM 960 C VAL A 74 0.972 -4.106 -6.003 1.00 0.22 C ATOM 961 O VAL A 74 0.394 -4.465 -4.987 1.00 0.34 O ATOM 962 CB VAL A 74 1.127 -6.274 -7.219 1.00 0.37 C ATOM 963 CG1 VAL A 74 0.952 -6.990 -8.550 1.00 0.49 C ATOM 964 CG2 VAL A 74 2.553 -6.384 -6.721 1.00 0.38 C ATOM 0 H VAL A 74 2.306 -3.825 -8.270 1.00 0.31 H new ATOM 0 HA VAL A 74 -0.373 -4.754 -7.545 1.00 0.28 H new ATOM 0 HB VAL A 74 0.482 -6.762 -6.488 1.00 0.37 H new ATOM 0 HG11 VAL A 74 1.263 -8.030 -8.447 1.00 0.49 H new ATOM 0 HG12 VAL A 74 -0.096 -6.952 -8.849 1.00 0.49 H new ATOM 0 HG13 VAL A 74 1.563 -6.502 -9.309 1.00 0.49 H new ATOM 0 HG21 VAL A 74 2.834 -7.435 -6.650 1.00 0.38 H new ATOM 0 HG22 VAL A 74 3.221 -5.876 -7.416 1.00 0.38 H new ATOM 0 HG23 VAL A 74 2.632 -5.920 -5.738 1.00 0.38 H new ATOM 974 N ILE A 75 1.862 -3.128 -5.994 1.00 0.18 N ATOM 975 CA ILE A 75 2.185 -2.447 -4.748 1.00 0.17 C ATOM 976 C ILE A 75 1.366 -1.187 -4.562 1.00 0.16 C ATOM 977 O ILE A 75 0.550 -0.816 -5.407 1.00 0.20 O ATOM 978 CB ILE A 75 3.664 -2.045 -4.647 1.00 0.19 C ATOM 979 CG1 ILE A 75 4.006 -1.019 -5.717 1.00 0.20 C ATOM 980 CG2 ILE A 75 4.549 -3.259 -4.771 1.00 0.24 C ATOM 981 CD1 ILE A 75 5.261 -0.232 -5.428 1.00 0.30 C ATOM 0 H ILE A 75 2.365 -2.792 -6.815 1.00 0.18 H new ATOM 0 HA ILE A 75 1.952 -3.176 -3.972 1.00 0.17 H new ATOM 0 HB ILE A 75 3.837 -1.594 -3.670 1.00 0.19 H new ATOM 0 HG12 ILE A 75 4.121 -1.530 -6.673 1.00 0.20 H new ATOM 0 HG13 ILE A 75 3.171 -0.327 -5.823 1.00 0.20 H new ATOM 0 HG21 ILE A 75 5.594 -2.957 -4.697 1.00 0.24 H new ATOM 0 HG22 ILE A 75 4.317 -3.962 -3.970 1.00 0.24 H new ATOM 0 HG23 ILE A 75 4.377 -3.738 -5.735 1.00 0.24 H new ATOM 0 HD11 ILE A 75 5.439 0.479 -6.235 1.00 0.30 H new ATOM 0 HD12 ILE A 75 5.144 0.308 -4.488 1.00 0.30 H new ATOM 0 HD13 ILE A 75 6.108 -0.913 -5.351 1.00 0.30 H new ATOM 993 N ALA A 76 1.622 -0.542 -3.443 1.00 0.15 N ATOM 994 CA ALA A 76 1.015 0.726 -3.099 1.00 0.16 C ATOM 995 C ALA A 76 1.991 1.509 -2.226 1.00 0.14 C ATOM 996 O ALA A 76 2.735 0.910 -1.451 1.00 0.15 O ATOM 997 CB ALA A 76 -0.295 0.480 -2.375 1.00 0.18 C ATOM 0 H ALA A 76 2.269 -0.890 -2.735 1.00 0.15 H new ATOM 0 HA ALA A 76 0.799 1.306 -3.996 1.00 0.16 H new ATOM 0 HB1 ALA A 76 -0.752 1.435 -2.116 1.00 0.18 H new ATOM 0 HB2 ALA A 76 -0.969 -0.081 -3.022 1.00 0.18 H new ATOM 0 HB3 ALA A 76 -0.107 -0.091 -1.466 1.00 0.18 H new ATOM 1003 N ILE A 77 2.022 2.827 -2.359 1.00 0.15 N ATOM 1004 CA ILE A 77 3.001 3.627 -1.630 1.00 0.16 C ATOM 1005 C ILE A 77 2.325 4.730 -0.816 1.00 0.16 C ATOM 1006 O ILE A 77 1.338 5.326 -1.257 1.00 0.21 O ATOM 1007 CB ILE A 77 4.036 4.254 -2.591 1.00 0.19 C ATOM 1008 CG1 ILE A 77 4.687 3.170 -3.455 1.00 0.21 C ATOM 1009 CG2 ILE A 77 5.103 5.011 -1.812 1.00 0.24 C ATOM 1010 CD1 ILE A 77 5.638 3.715 -4.500 1.00 0.26 C ATOM 0 H ILE A 77 1.391 3.361 -2.956 1.00 0.15 H new ATOM 0 HA ILE A 77 3.516 2.953 -0.945 1.00 0.16 H new ATOM 0 HB ILE A 77 3.515 4.958 -3.241 1.00 0.19 H new ATOM 0 HG12 ILE A 77 5.228 2.479 -2.809 1.00 0.21 H new ATOM 0 HG13 ILE A 77 3.905 2.596 -3.952 1.00 0.21 H new ATOM 0 HG21 ILE A 77 5.822 5.445 -2.507 1.00 0.24 H new ATOM 0 HG22 ILE A 77 4.635 5.806 -1.231 1.00 0.24 H new ATOM 0 HG23 ILE A 77 5.617 4.325 -1.139 1.00 0.24 H new ATOM 0 HD11 ILE A 77 6.061 2.890 -5.073 1.00 0.26 H new ATOM 0 HD12 ILE A 77 5.098 4.383 -5.170 1.00 0.26 H new ATOM 0 HD13 ILE A 77 6.441 4.265 -4.010 1.00 0.26 H new ATOM 1022 N GLY A 78 2.855 4.988 0.378 1.00 0.16 N ATOM 1023 CA GLY A 78 2.319 6.035 1.225 1.00 0.17 C ATOM 1024 C GLY A 78 0.954 5.682 1.760 1.00 0.15 C ATOM 1025 O GLY A 78 0.018 6.470 1.656 1.00 0.17 O ATOM 0 H GLY A 78 3.650 4.486 0.773 1.00 0.16 H new ATOM 0 HA2 GLY A 78 3.000 6.213 2.057 1.00 0.17 H new ATOM 0 HA3 GLY A 78 2.258 6.964 0.659 1.00 0.17 H new ATOM 1029 N CYS A 79 0.839 4.495 2.331 1.00 0.13 N ATOM 1030 CA CYS A 79 -0.452 3.985 2.753 1.00 0.13 C ATOM 1031 C CYS A 79 -0.631 4.079 4.259 1.00 0.13 C ATOM 1032 O CYS A 79 0.250 3.705 5.028 1.00 0.18 O ATOM 1033 CB CYS A 79 -0.611 2.540 2.288 1.00 0.15 C ATOM 1034 SG CYS A 79 -0.082 2.271 0.571 1.00 0.65 S ATOM 0 H CYS A 79 1.623 3.868 2.512 1.00 0.13 H new ATOM 0 HA CYS A 79 -1.225 4.602 2.295 1.00 0.13 H new ATOM 0 HB2 CYS A 79 -0.033 1.889 2.944 1.00 0.15 H new ATOM 0 HB3 CYS A 79 -1.656 2.247 2.388 1.00 0.15 H new ATOM 1039 N LEU A 80 -1.771 4.610 4.670 1.00 0.14 N ATOM 1040 CA LEU A 80 -2.140 4.647 6.075 1.00 0.15 C ATOM 1041 C LEU A 80 -3.224 3.616 6.352 1.00 0.15 C ATOM 1042 O LEU A 80 -4.178 3.495 5.586 1.00 0.15 O ATOM 1043 CB LEU A 80 -2.645 6.032 6.466 1.00 0.19 C ATOM 1044 CG LEU A 80 -1.639 7.172 6.286 1.00 0.23 C ATOM 1045 CD1 LEU A 80 -2.279 8.503 6.637 1.00 0.29 C ATOM 1046 CD2 LEU A 80 -0.406 6.931 7.145 1.00 0.26 C ATOM 0 H LEU A 80 -2.462 5.024 4.044 1.00 0.14 H new ATOM 0 HA LEU A 80 -1.255 4.417 6.668 1.00 0.15 H new ATOM 0 HB2 LEU A 80 -3.533 6.257 5.875 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -2.956 6.006 7.510 1.00 0.19 H new ATOM 0 HG LEU A 80 -1.332 7.202 5.241 1.00 0.23 H new ATOM 0 HD11 LEU A 80 -1.551 9.303 6.504 1.00 0.29 H new ATOM 0 HD12 LEU A 80 -3.134 8.679 5.985 1.00 0.29 H new ATOM 0 HD13 LEU A 80 -2.612 8.484 7.675 1.00 0.29 H new ATOM 0 HD21 LEU A 80 0.300 7.750 7.006 1.00 0.26 H new ATOM 0 HD22 LEU A 80 -0.698 6.878 8.194 1.00 0.26 H new ATOM 0 HD23 LEU A 80 0.064 5.993 6.851 1.00 0.26 H new ATOM 1058 N PRO A 81 -3.082 2.849 7.437 1.00 0.15 N ATOM 1059 CA PRO A 81 -4.060 1.828 7.819 1.00 0.17 C ATOM 1060 C PRO A 81 -5.398 2.445 8.213 1.00 0.21 C ATOM 1061 O PRO A 81 -5.466 3.278 9.117 1.00 0.25 O ATOM 1062 CB PRO A 81 -3.417 1.127 9.021 1.00 0.21 C ATOM 1063 CG PRO A 81 -1.989 1.555 9.019 1.00 0.20 C ATOM 1064 CD PRO A 81 -1.960 2.913 8.379 1.00 0.17 C ATOM 0 HA PRO A 81 -4.281 1.149 6.995 1.00 0.17 H new ATOM 0 HB2 PRO A 81 -3.910 1.412 9.950 1.00 0.21 H new ATOM 0 HB3 PRO A 81 -3.502 0.044 8.934 1.00 0.21 H new ATOM 0 HG2 PRO A 81 -1.593 1.594 10.034 1.00 0.20 H new ATOM 0 HG3 PRO A 81 -1.372 0.849 8.463 1.00 0.20 H new ATOM 0 HD2 PRO A 81 -2.091 3.709 9.112 1.00 0.17 H new ATOM 0 HD3 PRO A 81 -1.014 3.101 7.870 1.00 0.17 H new ATOM 1072 N VAL A 82 -6.455 2.038 7.528 1.00 0.23 N ATOM 1073 CA VAL A 82 -7.775 2.585 7.765 1.00 0.30 C ATOM 1074 C VAL A 82 -8.698 1.552 8.387 1.00 0.39 C ATOM 1075 O VAL A 82 -8.520 0.343 8.215 1.00 0.42 O ATOM 1076 CB VAL A 82 -8.414 3.124 6.471 1.00 0.25 C ATOM 1077 CG1 VAL A 82 -7.932 4.536 6.179 1.00 0.33 C ATOM 1078 CG2 VAL A 82 -8.110 2.215 5.296 1.00 0.20 C ATOM 0 H VAL A 82 -6.420 1.325 6.799 1.00 0.23 H new ATOM 0 HA VAL A 82 -7.645 3.414 8.461 1.00 0.30 H new ATOM 0 HB VAL A 82 -9.494 3.148 6.618 1.00 0.25 H new ATOM 0 HG11 VAL A 82 -8.396 4.896 5.261 1.00 0.33 H new ATOM 0 HG12 VAL A 82 -8.205 5.192 7.005 1.00 0.33 H new ATOM 0 HG13 VAL A 82 -6.848 4.533 6.061 1.00 0.33 H new ATOM 0 HG21 VAL A 82 -8.572 2.618 4.395 1.00 0.20 H new ATOM 0 HG22 VAL A 82 -7.031 2.153 5.154 1.00 0.20 H new ATOM 0 HG23 VAL A 82 -8.508 1.220 5.494 1.00 0.20 H new ATOM 1088 N THR A 83 -9.669 2.048 9.124 1.00 0.53 N ATOM 1089 CA THR A 83 -10.664 1.221 9.788 1.00 0.70 C ATOM 1090 C THR A 83 -11.916 2.043 10.073 1.00 1.46 C ATOM 1091 O THR A 83 -11.824 3.122 10.661 1.00 2.07 O ATOM 1092 CB THR A 83 -10.134 0.658 11.121 1.00 1.31 C ATOM 1093 OG1 THR A 83 -8.905 -0.053 10.916 1.00 1.98 O ATOM 1094 CG2 THR A 83 -11.155 -0.260 11.774 1.00 1.65 C ATOM 0 H THR A 83 -9.794 3.048 9.283 1.00 0.53 H new ATOM 0 HA THR A 83 -10.896 0.390 9.122 1.00 0.70 H new ATOM 0 HB THR A 83 -9.951 1.502 11.786 1.00 1.31 H new ATOM 0 HG1 THR A 83 -8.582 -0.402 11.773 1.00 1.98 H new ATOM 0 HG21 THR A 83 -10.753 -0.642 12.712 1.00 1.65 H new ATOM 0 HG22 THR A 83 -12.071 0.297 11.971 1.00 1.65 H new ATOM 0 HG23 THR A 83 -11.374 -1.094 11.107 1.00 1.65 H new ATOM 1102 N LEU A 84 -13.066 1.518 9.659 1.00 1.87 N ATOM 1103 CA LEU A 84 -14.364 2.159 9.873 1.00 2.80 C ATOM 1104 C LEU A 84 -14.336 3.650 9.539 1.00 3.45 C ATOM 1105 O LEU A 84 -14.370 3.990 8.339 1.00 3.87 O ATOM 1106 CB LEU A 84 -14.819 1.939 11.316 1.00 3.22 C ATOM 1107 CG LEU A 84 -15.513 0.601 11.597 1.00 3.13 C ATOM 1108 CD1 LEU A 84 -14.614 -0.579 11.267 1.00 3.79 C ATOM 1109 CD2 LEU A 84 -15.950 0.537 13.050 1.00 3.37 C ATOM 1110 OXT LEU A 84 -14.278 4.478 10.476 1.00 3.91 O ATOM 0 H LEU A 84 -13.126 0.629 9.162 1.00 1.87 H new ATOM 0 HA LEU A 84 -15.078 1.696 9.192 1.00 2.80 H new ATOM 0 HB2 LEU A 84 -13.950 2.020 11.968 1.00 3.22 H new ATOM 0 HB3 LEU A 84 -15.500 2.745 11.590 1.00 3.22 H new ATOM 0 HG LEU A 84 -16.390 0.538 10.952 1.00 3.13 H new ATOM 0 HD11 LEU A 84 -15.141 -1.509 11.480 1.00 3.79 H new ATOM 0 HD12 LEU A 84 -14.345 -0.547 10.211 1.00 3.79 H new ATOM 0 HD13 LEU A 84 -13.710 -0.528 11.873 1.00 3.79 H new ATOM 0 HD21 LEU A 84 -16.442 -0.417 13.240 1.00 3.37 H new ATOM 0 HD22 LEU A 84 -15.078 0.631 13.697 1.00 3.37 H new ATOM 0 HD23 LEU A 84 -16.645 1.351 13.257 1.00 3.37 H new TER 1122 LEU A 84