USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 807 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 26 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 21 THR OG1 : rot 154:sc= -0.46 USER MOD Set 2.2: A 24 THR OG1 : rot 180:sc= -1.2 USER MOD Set 3.1: A 9 THR OG1 : rot 90:sc= -0.961 USER MOD Set 3.2: A 87 ASN : amide:sc= -2.71! C(o=-3.7!,f=-15!) USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0304 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0413 K(o=-0.041,f=-1.2) USER MOD Single : A 14 HIS : no HD1:sc= -0.0251 X(o=-0.025,f=-0.025) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 28:sc= -1.18! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot -115:sc= -1.18 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.42 USER MOD Single : A 48 CYS SG : rot 180:sc= -1.87! USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -3.08! C(o=-3.1!,f=-14!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 CYS SG : rot 160:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -49:sc= 0.996 USER MOD Single : A 92 SER OG : rot -160:sc= -0.117 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0963 USER MOD Single : A 99 GLN : amide:sc=-0.00246 K(o=-0.0025,f=-0.95) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 50:sc= 0.782 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.772 31.856 -2.237 1.00 0.00 N ATOM 2 CA GLY A 1 -4.630 31.654 -1.362 1.00 0.00 C ATOM 3 C GLY A 1 -4.153 30.201 -1.409 1.00 0.00 C ATOM 4 O GLY A 1 -4.958 29.284 -1.560 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.487 32.437 -3.051 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.119 30.935 -2.573 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.529 32.341 -1.714 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.818 32.317 -1.660 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.899 31.919 -0.340 1.00 0.00 H new ATOM 8 N SER A 2 -2.844 30.037 -1.278 1.00 0.00 N ATOM 9 CA SER A 2 -2.250 28.711 -1.305 1.00 0.00 C ATOM 10 C SER A 2 -1.726 28.345 0.085 1.00 0.00 C ATOM 11 O SER A 2 -0.571 28.618 0.409 1.00 0.00 O ATOM 12 CB SER A 2 -1.122 28.634 -2.335 1.00 0.00 C ATOM 13 OG SER A 2 -1.527 27.955 -3.521 1.00 0.00 O ATOM 0 H SER A 2 -2.179 30.800 -1.153 1.00 0.00 H new ATOM 0 HA SER A 2 -3.020 27.997 -1.596 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.793 29.642 -2.589 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.266 28.120 -1.897 1.00 0.00 H new ATOM 0 HG SER A 2 -0.779 27.928 -4.154 1.00 0.00 H new ATOM 19 N SER A 3 -2.600 27.732 0.870 1.00 0.00 N ATOM 20 CA SER A 3 -2.240 27.325 2.217 1.00 0.00 C ATOM 21 C SER A 3 -3.265 26.323 2.753 1.00 0.00 C ATOM 22 O SER A 3 -4.354 26.709 3.174 1.00 0.00 O ATOM 23 CB SER A 3 -2.142 28.534 3.150 1.00 0.00 C ATOM 24 OG SER A 3 -0.878 28.604 3.803 1.00 0.00 O ATOM 0 H SER A 3 -3.557 27.507 0.598 1.00 0.00 H new ATOM 0 HA SER A 3 -1.261 26.848 2.180 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.305 29.447 2.578 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.934 28.480 3.897 1.00 0.00 H new ATOM 0 HG SER A 3 -0.855 29.390 4.388 1.00 0.00 H new ATOM 30 N GLY A 4 -2.879 25.056 2.720 1.00 0.00 N ATOM 31 CA GLY A 4 -3.751 23.996 3.197 1.00 0.00 C ATOM 32 C GLY A 4 -2.945 22.889 3.880 1.00 0.00 C ATOM 33 O GLY A 4 -1.729 23.003 4.028 1.00 0.00 O ATOM 0 H GLY A 4 -1.974 24.740 2.370 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.478 24.406 3.897 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.313 23.579 2.361 1.00 0.00 H new ATOM 37 N SER A 5 -3.655 21.843 4.278 1.00 0.00 N ATOM 38 CA SER A 5 -3.021 20.717 4.941 1.00 0.00 C ATOM 39 C SER A 5 -2.150 19.946 3.947 1.00 0.00 C ATOM 40 O SER A 5 -2.597 19.620 2.848 1.00 0.00 O ATOM 41 CB SER A 5 -4.064 19.788 5.566 1.00 0.00 C ATOM 42 OG SER A 5 -4.955 20.488 6.429 1.00 0.00 O ATOM 0 H SER A 5 -4.663 21.752 4.154 1.00 0.00 H new ATOM 0 HA SER A 5 -2.391 21.103 5.742 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.634 19.300 4.776 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.559 19.002 6.127 1.00 0.00 H new ATOM 0 HG SER A 5 -5.606 19.860 6.806 1.00 0.00 H new ATOM 48 N SER A 6 -0.923 19.678 4.368 1.00 0.00 N ATOM 49 CA SER A 6 0.014 18.951 3.528 1.00 0.00 C ATOM 50 C SER A 6 0.447 17.659 4.224 1.00 0.00 C ATOM 51 O SER A 6 0.449 17.581 5.451 1.00 0.00 O ATOM 52 CB SER A 6 1.236 19.810 3.196 1.00 0.00 C ATOM 53 OG SER A 6 1.646 19.653 1.840 1.00 0.00 O ATOM 0 H SER A 6 -0.556 19.951 5.280 1.00 0.00 H new ATOM 0 HA SER A 6 -0.487 18.702 2.592 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.005 20.858 3.386 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.059 19.540 3.857 1.00 0.00 H new ATOM 0 HG SER A 6 2.427 20.219 1.667 1.00 0.00 H new ATOM 59 N GLY A 7 0.804 16.677 3.409 1.00 0.00 N ATOM 60 CA GLY A 7 1.238 15.393 3.931 1.00 0.00 C ATOM 61 C GLY A 7 1.048 14.286 2.891 1.00 0.00 C ATOM 62 O GLY A 7 0.533 14.534 1.802 1.00 0.00 O ATOM 0 H GLY A 7 0.801 16.745 2.391 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.288 15.450 4.220 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.672 15.152 4.831 1.00 0.00 H new ATOM 66 N PRO A 8 1.487 13.057 3.273 1.00 0.00 N ATOM 67 CA PRO A 8 1.370 11.912 2.387 1.00 0.00 C ATOM 68 C PRO A 8 -0.075 11.414 2.321 1.00 0.00 C ATOM 69 O PRO A 8 -0.799 11.465 3.314 1.00 0.00 O ATOM 70 CB PRO A 8 2.329 10.877 2.953 1.00 0.00 C ATOM 71 CG PRO A 8 2.598 11.299 4.388 1.00 0.00 C ATOM 72 CD PRO A 8 2.102 12.726 4.555 1.00 0.00 C ATOM 0 HA PRO A 8 1.626 12.152 1.355 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.893 9.879 2.915 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.253 10.844 2.376 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.087 10.633 5.084 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.663 11.237 4.611 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.383 12.802 5.371 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.922 13.405 4.788 1.00 0.00 H new ATOM 80 N THR A 9 -0.452 10.944 1.141 1.00 0.00 N ATOM 81 CA THR A 9 -1.798 10.438 0.932 1.00 0.00 C ATOM 82 C THR A 9 -2.152 9.407 2.005 1.00 0.00 C ATOM 83 O THR A 9 -1.278 8.935 2.731 1.00 0.00 O ATOM 84 CB THR A 9 -1.879 9.885 -0.492 1.00 0.00 C ATOM 85 OG1 THR A 9 -0.870 8.880 -0.533 1.00 0.00 O ATOM 86 CG2 THR A 9 -1.433 10.903 -1.543 1.00 0.00 C ATOM 0 H THR A 9 0.151 10.903 0.320 1.00 0.00 H new ATOM 0 HA THR A 9 -2.539 11.231 1.031 1.00 0.00 H new ATOM 0 HB THR A 9 -2.902 9.572 -0.701 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.254 8.020 -0.261 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.510 10.459 -2.535 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.071 11.785 -1.489 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.399 11.192 -1.354 1.00 0.00 H new ATOM 94 N SER A 10 -3.436 9.088 2.073 1.00 0.00 N ATOM 95 CA SER A 10 -3.917 8.122 3.046 1.00 0.00 C ATOM 96 C SER A 10 -3.280 6.755 2.785 1.00 0.00 C ATOM 97 O SER A 10 -3.075 6.372 1.635 1.00 0.00 O ATOM 98 CB SER A 10 -5.443 8.012 3.006 1.00 0.00 C ATOM 99 OG SER A 10 -6.042 8.460 4.219 1.00 0.00 O ATOM 0 H SER A 10 -4.158 9.482 1.470 1.00 0.00 H new ATOM 0 HA SER A 10 -3.630 8.466 4.040 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.827 8.600 2.173 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.727 6.976 2.822 1.00 0.00 H new ATOM 0 HG SER A 10 -7.016 8.376 4.153 1.00 0.00 H new ATOM 105 N ALA A 11 -2.985 6.058 3.873 1.00 0.00 N ATOM 106 CA ALA A 11 -2.375 4.743 3.776 1.00 0.00 C ATOM 107 C ALA A 11 -3.292 3.819 2.971 1.00 0.00 C ATOM 108 O ALA A 11 -4.474 4.110 2.796 1.00 0.00 O ATOM 109 CB ALA A 11 -2.094 4.206 5.181 1.00 0.00 C ATOM 0 H ALA A 11 -3.157 6.379 4.826 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.421 4.800 3.252 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.636 3.219 5.109 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.416 4.883 5.701 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.029 4.132 5.736 1.00 0.00 H new ATOM 115 N PRO A 12 -2.695 2.695 2.490 1.00 0.00 N ATOM 116 CA PRO A 12 -3.445 1.727 1.708 1.00 0.00 C ATOM 117 C PRO A 12 -4.368 0.896 2.602 1.00 0.00 C ATOM 118 O PRO A 12 -4.142 0.792 3.807 1.00 0.00 O ATOM 119 CB PRO A 12 -2.390 0.890 1.003 1.00 0.00 C ATOM 120 CG PRO A 12 -1.098 1.115 1.771 1.00 0.00 C ATOM 121 CD PRO A 12 -1.297 2.318 2.677 1.00 0.00 C ATOM 0 HA PRO A 12 -4.112 2.196 0.985 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.665 -0.165 1.002 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.283 1.193 -0.039 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.845 0.233 2.359 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.270 1.288 1.083 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.090 2.069 3.718 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.627 3.134 2.405 1.00 0.00 H new ATOM 129 N GLN A 13 -5.388 0.326 1.977 1.00 0.00 N ATOM 130 CA GLN A 13 -6.346 -0.492 2.701 1.00 0.00 C ATOM 131 C GLN A 13 -6.893 -1.596 1.795 1.00 0.00 C ATOM 132 O GLN A 13 -6.713 -1.552 0.579 1.00 0.00 O ATOM 133 CB GLN A 13 -7.480 0.364 3.268 1.00 0.00 C ATOM 134 CG GLN A 13 -7.742 1.584 2.383 1.00 0.00 C ATOM 135 CD GLN A 13 -9.177 2.087 2.552 1.00 0.00 C ATOM 136 OE1 GLN A 13 -9.917 1.649 3.418 1.00 0.00 O ATOM 137 NE2 GLN A 13 -9.527 3.028 1.680 1.00 0.00 N ATOM 0 H GLN A 13 -5.572 0.415 0.978 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.833 -0.960 3.541 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.388 -0.234 3.346 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.225 0.690 4.276 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.042 2.380 2.638 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.564 1.325 1.339 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.858 3.349 0.980 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.465 3.429 1.711 1.00 0.00 H new ATOM 146 N HIS A 14 -7.550 -2.561 2.421 1.00 0.00 N ATOM 147 CA HIS A 14 -8.125 -3.675 1.686 1.00 0.00 C ATOM 148 C HIS A 14 -7.006 -4.499 1.046 1.00 0.00 C ATOM 149 O HIS A 14 -7.161 -5.008 -0.063 1.00 0.00 O ATOM 150 CB HIS A 14 -9.154 -3.181 0.668 1.00 0.00 C ATOM 151 CG HIS A 14 -10.501 -2.854 1.266 1.00 0.00 C ATOM 152 ND1 HIS A 14 -11.577 -3.723 1.210 1.00 0.00 N ATOM 153 CD2 HIS A 14 -10.936 -1.746 1.932 1.00 0.00 C ATOM 154 CE1 HIS A 14 -12.607 -3.153 1.818 1.00 0.00 C ATOM 155 NE2 HIS A 14 -12.208 -1.927 2.264 1.00 0.00 N ATOM 0 H HIS A 14 -7.697 -2.595 3.430 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.664 -4.329 2.372 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.762 -2.292 0.173 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.284 -3.943 -0.101 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -10.345 -0.869 2.152 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.590 -3.583 1.939 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.791 -1.260 2.769 1.00 0.00 H new ATOM 163 N LEU A 15 -5.903 -4.606 1.773 1.00 0.00 N ATOM 164 CA LEU A 15 -4.758 -5.359 1.290 1.00 0.00 C ATOM 165 C LEU A 15 -4.861 -6.805 1.781 1.00 0.00 C ATOM 166 O LEU A 15 -4.793 -7.062 2.982 1.00 0.00 O ATOM 167 CB LEU A 15 -3.454 -4.666 1.687 1.00 0.00 C ATOM 168 CG LEU A 15 -2.163 -5.377 1.275 1.00 0.00 C ATOM 169 CD1 LEU A 15 -1.874 -5.170 -0.213 1.00 0.00 C ATOM 170 CD2 LEU A 15 -0.991 -4.939 2.154 1.00 0.00 C ATOM 0 H LEU A 15 -5.778 -4.184 2.693 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.755 -5.391 0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.450 -3.667 1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.447 -4.542 2.770 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.298 -6.447 1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.951 -5.685 -0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.698 -5.572 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.767 -4.105 -0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.086 -5.459 1.840 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.844 -3.863 2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.206 -5.182 3.195 1.00 0.00 H new ATOM 182 N THR A 16 -5.023 -7.710 0.828 1.00 0.00 N ATOM 183 CA THR A 16 -5.135 -9.123 1.148 1.00 0.00 C ATOM 184 C THR A 16 -4.422 -9.968 0.091 1.00 0.00 C ATOM 185 O THR A 16 -3.980 -9.447 -0.931 1.00 0.00 O ATOM 186 CB THR A 16 -6.621 -9.458 1.294 1.00 0.00 C ATOM 187 OG1 THR A 16 -7.252 -8.686 0.275 1.00 0.00 O ATOM 188 CG2 THR A 16 -7.219 -8.918 2.594 1.00 0.00 C ATOM 0 H THR A 16 -5.079 -7.492 -0.167 1.00 0.00 H new ATOM 0 HA THR A 16 -4.640 -9.355 2.091 1.00 0.00 H new ATOM 0 HB THR A 16 -6.754 -10.539 1.255 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.219 -8.844 0.296 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.275 -9.184 2.647 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.693 -9.352 3.444 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.116 -7.833 2.619 1.00 0.00 H new ATOM 196 N VAL A 17 -4.333 -11.260 0.374 1.00 0.00 N ATOM 197 CA VAL A 17 -3.682 -12.182 -0.540 1.00 0.00 C ATOM 198 C VAL A 17 -4.735 -12.834 -1.438 1.00 0.00 C ATOM 199 O VAL A 17 -5.561 -13.614 -0.966 1.00 0.00 O ATOM 200 CB VAL A 17 -2.854 -13.201 0.247 1.00 0.00 C ATOM 201 CG1 VAL A 17 -2.352 -14.322 -0.666 1.00 0.00 C ATOM 202 CG2 VAL A 17 -1.690 -12.520 0.970 1.00 0.00 C ATOM 0 H VAL A 17 -4.701 -11.689 1.223 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.987 -11.649 -1.189 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.502 -13.648 1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.767 -15.032 -0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.203 -14.835 -1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.728 -13.898 -1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.118 -13.266 1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.043 -12.033 0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.079 -11.775 1.664 1.00 0.00 H new ATOM 212 N GLU A 18 -4.673 -12.490 -2.716 1.00 0.00 N ATOM 213 CA GLU A 18 -5.611 -13.032 -3.684 1.00 0.00 C ATOM 214 C GLU A 18 -5.185 -14.439 -4.106 1.00 0.00 C ATOM 215 O GLU A 18 -5.986 -15.371 -4.071 1.00 0.00 O ATOM 216 CB GLU A 18 -5.740 -12.110 -4.898 1.00 0.00 C ATOM 217 CG GLU A 18 -6.432 -10.799 -4.520 1.00 0.00 C ATOM 218 CD GLU A 18 -7.753 -11.065 -3.795 1.00 0.00 C ATOM 219 OE1 GLU A 18 -8.426 -12.044 -4.183 1.00 0.00 O ATOM 220 OE2 GLU A 18 -8.059 -10.284 -2.868 1.00 0.00 O ATOM 0 H GLU A 18 -3.987 -11.842 -3.104 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.592 -13.097 -3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.751 -11.899 -5.306 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.307 -12.612 -5.682 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.775 -10.208 -3.882 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.618 -10.210 -5.418 1.00 0.00 H new ATOM 227 N ASP A 19 -3.923 -14.548 -4.497 1.00 0.00 N ATOM 228 CA ASP A 19 -3.381 -15.826 -4.926 1.00 0.00 C ATOM 229 C ASP A 19 -1.943 -15.960 -4.421 1.00 0.00 C ATOM 230 O ASP A 19 -1.302 -14.963 -4.089 1.00 0.00 O ATOM 231 CB ASP A 19 -3.358 -15.930 -6.452 1.00 0.00 C ATOM 232 CG ASP A 19 -4.062 -17.160 -7.028 1.00 0.00 C ATOM 233 OD1 ASP A 19 -5.303 -17.222 -6.885 1.00 0.00 O ATOM 234 OD2 ASP A 19 -3.345 -18.011 -7.596 1.00 0.00 O ATOM 0 H ASP A 19 -3.261 -13.772 -4.526 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.015 -16.615 -4.521 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.822 -15.036 -6.869 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.320 -15.935 -6.785 1.00 0.00 H new ATOM 239 N VAL A 20 -1.477 -17.199 -4.380 1.00 0.00 N ATOM 240 CA VAL A 20 -0.126 -17.477 -3.921 1.00 0.00 C ATOM 241 C VAL A 20 0.476 -18.597 -4.770 1.00 0.00 C ATOM 242 O VAL A 20 -0.156 -19.632 -4.979 1.00 0.00 O ATOM 243 CB VAL A 20 -0.138 -17.800 -2.426 1.00 0.00 C ATOM 244 CG1 VAL A 20 1.253 -18.220 -1.945 1.00 0.00 C ATOM 245 CG2 VAL A 20 -0.664 -16.615 -1.613 1.00 0.00 C ATOM 0 H VAL A 20 -2.011 -18.023 -4.657 1.00 0.00 H new ATOM 0 HA VAL A 20 0.508 -16.599 -4.045 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.815 -18.640 -2.270 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.217 -18.444 -0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.575 -19.107 -2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.959 -17.409 -2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.662 -16.871 -0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.024 -15.748 -1.778 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.681 -16.381 -1.928 1.00 0.00 H new ATOM 255 N THR A 21 1.692 -18.354 -5.238 1.00 0.00 N ATOM 256 CA THR A 21 2.386 -19.330 -6.060 1.00 0.00 C ATOM 257 C THR A 21 3.433 -20.077 -5.231 1.00 0.00 C ATOM 258 O THR A 21 3.337 -20.131 -4.006 1.00 0.00 O ATOM 259 CB THR A 21 2.977 -18.598 -7.266 1.00 0.00 C ATOM 260 OG1 THR A 21 2.340 -17.323 -7.245 1.00 0.00 O ATOM 261 CG2 THR A 21 2.537 -19.211 -8.597 1.00 0.00 C ATOM 0 H THR A 21 2.214 -17.495 -5.063 1.00 0.00 H new ATOM 0 HA THR A 21 1.702 -20.094 -6.428 1.00 0.00 H new ATOM 0 HB THR A 21 4.065 -18.613 -7.201 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.915 -16.663 -7.686 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.985 -18.654 -9.420 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.862 -20.251 -8.644 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.451 -19.166 -8.677 1.00 0.00 H new ATOM 269 N ASP A 22 4.409 -20.635 -5.932 1.00 0.00 N ATOM 270 CA ASP A 22 5.472 -21.377 -5.276 1.00 0.00 C ATOM 271 C ASP A 22 6.615 -20.421 -4.928 1.00 0.00 C ATOM 272 O ASP A 22 7.258 -20.568 -3.889 1.00 0.00 O ATOM 273 CB ASP A 22 6.031 -22.466 -6.194 1.00 0.00 C ATOM 274 CG ASP A 22 4.977 -23.351 -6.863 1.00 0.00 C ATOM 275 OD1 ASP A 22 4.283 -24.072 -6.114 1.00 0.00 O ATOM 276 OD2 ASP A 22 4.889 -23.286 -8.108 1.00 0.00 O ATOM 0 H ASP A 22 4.486 -20.588 -6.948 1.00 0.00 H new ATOM 0 HA ASP A 22 5.058 -21.838 -4.379 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.632 -21.993 -6.970 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.701 -23.100 -5.614 1.00 0.00 H new ATOM 281 N THR A 23 6.834 -19.462 -5.816 1.00 0.00 N ATOM 282 CA THR A 23 7.888 -18.482 -5.616 1.00 0.00 C ATOM 283 C THR A 23 7.354 -17.068 -5.853 1.00 0.00 C ATOM 284 O THR A 23 8.123 -16.109 -5.894 1.00 0.00 O ATOM 285 CB THR A 23 9.057 -18.852 -6.531 1.00 0.00 C ATOM 286 OG1 THR A 23 8.434 -19.224 -7.757 1.00 0.00 O ATOM 287 CG2 THR A 23 9.776 -20.123 -6.077 1.00 0.00 C ATOM 0 H THR A 23 6.299 -19.343 -6.676 1.00 0.00 H new ATOM 0 HA THR A 23 8.247 -18.491 -4.587 1.00 0.00 H new ATOM 0 HB THR A 23 9.767 -18.026 -6.564 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.120 -19.478 -8.409 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.597 -20.341 -6.760 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.170 -19.978 -5.071 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.074 -20.957 -6.075 1.00 0.00 H new ATOM 295 N THR A 24 6.040 -16.984 -6.002 1.00 0.00 N ATOM 296 CA THR A 24 5.394 -15.703 -6.235 1.00 0.00 C ATOM 297 C THR A 24 4.063 -15.633 -5.482 1.00 0.00 C ATOM 298 O THR A 24 3.512 -16.661 -5.091 1.00 0.00 O ATOM 299 CB THR A 24 5.248 -15.514 -7.746 1.00 0.00 C ATOM 300 OG1 THR A 24 4.927 -16.815 -8.229 1.00 0.00 O ATOM 301 CG2 THR A 24 6.578 -15.182 -8.425 1.00 0.00 C ATOM 0 H THR A 24 5.405 -17.782 -5.966 1.00 0.00 H new ATOM 0 HA THR A 24 5.995 -14.881 -5.847 1.00 0.00 H new ATOM 0 HB THR A 24 4.530 -14.718 -7.945 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.813 -16.784 -9.202 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.419 -15.058 -9.496 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.979 -14.258 -8.008 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.286 -15.993 -8.255 1.00 0.00 H new ATOM 309 N THR A 25 3.586 -14.410 -5.303 1.00 0.00 N ATOM 310 CA THR A 25 2.330 -14.192 -4.605 1.00 0.00 C ATOM 311 C THR A 25 1.620 -12.955 -5.157 1.00 0.00 C ATOM 312 O THR A 25 2.269 -11.992 -5.564 1.00 0.00 O ATOM 313 CB THR A 25 2.631 -14.102 -3.107 1.00 0.00 C ATOM 314 OG1 THR A 25 2.591 -15.456 -2.663 1.00 0.00 O ATOM 315 CG2 THR A 25 1.508 -13.420 -2.324 1.00 0.00 C ATOM 0 H THR A 25 4.046 -13.560 -5.629 1.00 0.00 H new ATOM 0 HA THR A 25 1.641 -15.021 -4.764 1.00 0.00 H new ATOM 0 HB THR A 25 3.562 -13.556 -2.956 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.837 -16.050 -3.402 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.772 -13.382 -1.267 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.366 -12.406 -2.699 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.584 -13.985 -2.447 1.00 0.00 H new ATOM 323 N THR A 26 0.297 -13.020 -5.154 1.00 0.00 N ATOM 324 CA THR A 26 -0.508 -11.917 -5.649 1.00 0.00 C ATOM 325 C THR A 26 -1.074 -11.103 -4.484 1.00 0.00 C ATOM 326 O THR A 26 -1.371 -11.654 -3.424 1.00 0.00 O ATOM 327 CB THR A 26 -1.587 -12.494 -6.568 1.00 0.00 C ATOM 328 OG1 THR A 26 -0.859 -12.996 -7.686 1.00 0.00 O ATOM 329 CG2 THR A 26 -2.487 -11.411 -7.166 1.00 0.00 C ATOM 0 H THR A 26 -0.238 -13.820 -4.816 1.00 0.00 H new ATOM 0 HA THR A 26 0.094 -11.218 -6.229 1.00 0.00 H new ATOM 0 HB THR A 26 -2.196 -13.205 -6.010 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.482 -13.390 -8.332 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.235 -11.874 -7.810 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.985 -10.868 -6.363 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.883 -10.718 -7.752 1.00 0.00 H new ATOM 337 N LEU A 27 -1.207 -9.806 -4.718 1.00 0.00 N ATOM 338 CA LEU A 27 -1.732 -8.912 -3.701 1.00 0.00 C ATOM 339 C LEU A 27 -2.765 -7.977 -4.333 1.00 0.00 C ATOM 340 O LEU A 27 -2.723 -7.722 -5.536 1.00 0.00 O ATOM 341 CB LEU A 27 -0.592 -8.178 -2.991 1.00 0.00 C ATOM 342 CG LEU A 27 0.363 -9.052 -2.176 1.00 0.00 C ATOM 343 CD1 LEU A 27 1.735 -8.390 -2.044 1.00 0.00 C ATOM 344 CD2 LEU A 27 -0.240 -9.398 -0.812 1.00 0.00 C ATOM 0 H LEU A 27 -0.960 -9.353 -5.598 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.247 -9.479 -2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.011 -7.640 -3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.026 -7.431 -2.326 1.00 0.00 H new ATOM 0 HG LEU A 27 0.509 -9.990 -2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.394 -9.032 -1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.162 -8.237 -3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.628 -7.428 -1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.459 -10.020 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.434 -8.480 -0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.175 -9.940 -0.954 1.00 0.00 H new ATOM 356 N LYS A 28 -3.669 -7.492 -3.495 1.00 0.00 N ATOM 357 CA LYS A 28 -4.711 -6.591 -3.957 1.00 0.00 C ATOM 358 C LYS A 28 -5.091 -5.633 -2.826 1.00 0.00 C ATOM 359 O LYS A 28 -5.522 -6.068 -1.759 1.00 0.00 O ATOM 360 CB LYS A 28 -5.895 -7.383 -4.516 1.00 0.00 C ATOM 361 CG LYS A 28 -6.433 -6.737 -5.794 1.00 0.00 C ATOM 362 CD LYS A 28 -7.946 -6.935 -5.914 1.00 0.00 C ATOM 363 CE LYS A 28 -8.642 -5.624 -6.285 1.00 0.00 C ATOM 364 NZ LYS A 28 -9.520 -5.173 -5.181 1.00 0.00 N ATOM 0 H LYS A 28 -3.702 -7.706 -2.498 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.347 -5.980 -4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.586 -8.407 -4.724 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.687 -7.435 -3.769 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.201 -5.672 -5.793 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.936 -7.170 -6.662 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.159 -7.691 -6.670 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.344 -7.308 -4.970 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.897 -4.858 -6.501 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.230 -5.762 -7.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.985 -4.282 -5.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.242 -5.898 -4.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.950 -5.022 -4.324 1.00 0.00 H new ATOM 378 N TRP A 29 -4.916 -4.348 -3.097 1.00 0.00 N ATOM 379 CA TRP A 29 -5.234 -3.326 -2.116 1.00 0.00 C ATOM 380 C TRP A 29 -6.143 -2.293 -2.786 1.00 0.00 C ATOM 381 O TRP A 29 -6.454 -2.411 -3.970 1.00 0.00 O ATOM 382 CB TRP A 29 -3.961 -2.712 -1.531 1.00 0.00 C ATOM 383 CG TRP A 29 -3.176 -1.847 -2.520 1.00 0.00 C ATOM 384 CD1 TRP A 29 -3.495 -0.633 -2.988 1.00 0.00 C ATOM 385 CD2 TRP A 29 -1.920 -2.183 -3.146 1.00 0.00 C ATOM 386 NE1 TRP A 29 -2.540 -0.164 -3.867 1.00 0.00 N ATOM 387 CE2 TRP A 29 -1.552 -1.136 -3.967 1.00 0.00 C ATOM 388 CE3 TRP A 29 -1.122 -3.334 -3.025 1.00 0.00 C ATOM 389 CZ2 TRP A 29 -0.378 -1.135 -4.728 1.00 0.00 C ATOM 390 CZ3 TRP A 29 0.049 -3.318 -3.792 1.00 0.00 C ATOM 391 CH2 TRP A 29 0.434 -2.271 -4.623 1.00 0.00 C ATOM 0 H TRP A 29 -4.558 -3.992 -3.983 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.765 -3.758 -1.268 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.227 -2.106 -0.665 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.315 -3.513 -1.172 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.387 -0.090 -2.712 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.556 0.732 -4.354 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.391 -4.165 -2.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.112 -0.302 -5.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.699 -4.179 -3.735 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.355 -2.334 -5.184 1.00 0.00 H new ATOM 402 N ARG A 30 -6.542 -1.305 -2.000 1.00 0.00 N ATOM 403 CA ARG A 30 -7.409 -0.252 -2.502 1.00 0.00 C ATOM 404 C ARG A 30 -6.751 1.115 -2.308 1.00 0.00 C ATOM 405 O ARG A 30 -5.927 1.290 -1.411 1.00 0.00 O ATOM 406 CB ARG A 30 -8.763 -0.266 -1.789 1.00 0.00 C ATOM 407 CG ARG A 30 -9.598 -1.473 -2.220 1.00 0.00 C ATOM 408 CD ARG A 30 -10.723 -1.052 -3.167 1.00 0.00 C ATOM 409 NE ARG A 30 -10.241 -1.073 -4.566 1.00 0.00 N ATOM 410 CZ ARG A 30 -10.993 -0.744 -5.625 1.00 0.00 C ATOM 411 NH1 ARG A 30 -12.267 -0.366 -5.451 1.00 0.00 N ATOM 412 NH2 ARG A 30 -10.472 -0.792 -6.859 1.00 0.00 N ATOM 0 H ARG A 30 -6.281 -1.211 -1.018 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.570 -0.433 -3.565 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.609 -0.292 -0.710 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.305 0.653 -2.012 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.958 -2.205 -2.713 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.021 -1.960 -1.341 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.573 -1.725 -3.057 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.072 -0.052 -2.909 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.276 -1.356 -4.735 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.664 -0.329 -4.512 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.839 -0.116 -6.257 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.502 -1.079 -6.992 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.045 -0.541 -7.665 1.00 0.00 H new ATOM 426 N PRO A 31 -7.150 2.075 -3.185 1.00 0.00 N ATOM 427 CA PRO A 31 -6.608 3.421 -3.118 1.00 0.00 C ATOM 428 C PRO A 31 -7.209 4.197 -1.944 1.00 0.00 C ATOM 429 O PRO A 31 -8.272 3.840 -1.440 1.00 0.00 O ATOM 430 CB PRO A 31 -6.930 4.043 -4.468 1.00 0.00 C ATOM 431 CG PRO A 31 -8.040 3.191 -5.064 1.00 0.00 C ATOM 432 CD PRO A 31 -8.123 1.904 -4.260 1.00 0.00 C ATOM 0 HA PRO A 31 -5.534 3.433 -2.935 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.250 5.079 -4.355 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.052 4.050 -5.115 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.990 3.724 -5.030 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.833 2.974 -6.112 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.127 1.748 -3.865 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.885 1.037 -4.875 1.00 0.00 H new ATOM 440 N PRO A 32 -6.482 5.270 -1.533 1.00 0.00 N ATOM 441 CA PRO A 32 -6.933 6.099 -0.427 1.00 0.00 C ATOM 442 C PRO A 32 -8.091 7.003 -0.856 1.00 0.00 C ATOM 443 O PRO A 32 -8.462 7.028 -2.028 1.00 0.00 O ATOM 444 CB PRO A 32 -5.702 6.877 0.008 1.00 0.00 C ATOM 445 CG PRO A 32 -4.729 6.804 -1.158 1.00 0.00 C ATOM 446 CD PRO A 32 -5.218 5.722 -2.106 1.00 0.00 C ATOM 0 HA PRO A 32 -7.332 5.514 0.402 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.956 7.911 0.241 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.265 6.445 0.909 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.675 7.764 -1.670 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.724 6.575 -0.803 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.357 6.112 -3.114 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.501 4.904 -2.177 1.00 0.00 H new ATOM 454 N ASP A 33 -8.629 7.723 0.118 1.00 0.00 N ATOM 455 CA ASP A 33 -9.737 8.625 -0.144 1.00 0.00 C ATOM 456 C ASP A 33 -9.214 10.061 -0.213 1.00 0.00 C ATOM 457 O ASP A 33 -9.712 10.871 -0.994 1.00 0.00 O ATOM 458 CB ASP A 33 -10.780 8.555 0.973 1.00 0.00 C ATOM 459 CG ASP A 33 -10.544 7.455 2.010 1.00 0.00 C ATOM 460 OD1 ASP A 33 -9.414 7.410 2.542 1.00 0.00 O ATOM 461 OD2 ASP A 33 -11.499 6.684 2.247 1.00 0.00 O ATOM 0 H ASP A 33 -8.318 7.700 1.089 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.198 8.329 -1.086 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.807 9.517 1.485 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.762 8.406 0.524 1.00 0.00 H new ATOM 466 N ARG A 34 -8.216 10.334 0.615 1.00 0.00 N ATOM 467 CA ARG A 34 -7.620 11.659 0.658 1.00 0.00 C ATOM 468 C ARG A 34 -6.279 11.661 -0.079 1.00 0.00 C ATOM 469 O ARG A 34 -5.222 11.636 0.549 1.00 0.00 O ATOM 470 CB ARG A 34 -7.402 12.118 2.101 1.00 0.00 C ATOM 471 CG ARG A 34 -8.381 13.233 2.475 1.00 0.00 C ATOM 472 CD ARG A 34 -9.776 12.668 2.750 1.00 0.00 C ATOM 473 NE ARG A 34 -10.700 13.045 1.658 1.00 0.00 N ATOM 474 CZ ARG A 34 -11.345 14.218 1.591 1.00 0.00 C ATOM 475 NH1 ARG A 34 -11.172 15.134 2.553 1.00 0.00 N ATOM 476 NH2 ARG A 34 -12.165 14.474 0.562 1.00 0.00 N ATOM 0 H ARG A 34 -7.805 9.660 1.261 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.308 12.349 0.170 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.531 11.274 2.778 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.378 12.472 2.223 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.018 13.760 3.357 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.433 13.963 1.667 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.727 11.583 2.837 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.150 13.048 3.701 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.856 12.370 0.909 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.549 14.939 3.337 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.663 16.027 2.502 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.298 13.776 -0.170 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.656 15.367 0.511 1.00 0.00 H new ATOM 490 N ILE A 35 -6.366 11.692 -1.401 1.00 0.00 N ATOM 491 CA ILE A 35 -5.173 11.699 -2.229 1.00 0.00 C ATOM 492 C ILE A 35 -4.367 12.968 -1.946 1.00 0.00 C ATOM 493 O ILE A 35 -3.223 12.895 -1.501 1.00 0.00 O ATOM 494 CB ILE A 35 -5.543 11.521 -3.703 1.00 0.00 C ATOM 495 CG1 ILE A 35 -6.434 10.293 -3.901 1.00 0.00 C ATOM 496 CG2 ILE A 35 -4.290 11.468 -4.580 1.00 0.00 C ATOM 497 CD1 ILE A 35 -5.732 9.023 -3.416 1.00 0.00 C ATOM 0 H ILE A 35 -7.245 11.713 -1.919 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.532 10.853 -1.980 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.120 12.391 -4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.369 10.426 -3.357 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.690 10.191 -4.956 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.581 11.341 -5.623 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.729 12.396 -4.470 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.666 10.629 -4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.387 8.165 -3.568 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.809 8.880 -3.979 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.499 9.118 -2.355 1.00 0.00 H new ATOM 509 N GLY A 36 -4.997 14.103 -2.216 1.00 0.00 N ATOM 510 CA GLY A 36 -4.353 15.386 -1.996 1.00 0.00 C ATOM 511 C GLY A 36 -4.170 16.141 -3.314 1.00 0.00 C ATOM 512 O GLY A 36 -5.055 16.130 -4.168 1.00 0.00 O ATOM 0 H GLY A 36 -5.946 14.160 -2.585 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.952 15.985 -1.310 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.383 15.234 -1.522 1.00 0.00 H new ATOM 516 N ALA A 37 -3.015 16.779 -3.438 1.00 0.00 N ATOM 517 CA ALA A 37 -2.704 17.537 -4.638 1.00 0.00 C ATOM 518 C ALA A 37 -1.582 16.834 -5.405 1.00 0.00 C ATOM 519 O ALA A 37 -0.624 16.350 -4.804 1.00 0.00 O ATOM 520 CB ALA A 37 -2.338 18.972 -4.254 1.00 0.00 C ATOM 0 H ALA A 37 -2.283 16.786 -2.727 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.571 17.586 -5.296 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.105 19.541 -5.154 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.179 19.436 -3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.470 18.962 -3.595 1.00 0.00 H new ATOM 526 N GLY A 38 -1.739 16.800 -6.720 1.00 0.00 N ATOM 527 CA GLY A 38 -0.751 16.164 -7.575 1.00 0.00 C ATOM 528 C GLY A 38 -1.136 14.713 -7.872 1.00 0.00 C ATOM 529 O GLY A 38 -1.324 14.342 -9.030 1.00 0.00 O ATOM 0 H GLY A 38 -2.535 17.202 -7.214 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.662 16.719 -8.509 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.226 16.193 -7.092 1.00 0.00 H new ATOM 533 N GLY A 39 -1.242 13.933 -6.807 1.00 0.00 N ATOM 534 CA GLY A 39 -1.601 12.531 -6.940 1.00 0.00 C ATOM 535 C GLY A 39 -0.535 11.630 -6.314 1.00 0.00 C ATOM 536 O GLY A 39 0.546 12.097 -5.957 1.00 0.00 O ATOM 0 H GLY A 39 -1.086 14.245 -5.848 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.562 12.351 -6.459 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.720 12.281 -7.994 1.00 0.00 H new ATOM 540 N ILE A 40 -0.875 10.354 -6.201 1.00 0.00 N ATOM 541 CA ILE A 40 0.040 9.384 -5.625 1.00 0.00 C ATOM 542 C ILE A 40 0.931 8.812 -6.729 1.00 0.00 C ATOM 543 O ILE A 40 0.443 8.433 -7.792 1.00 0.00 O ATOM 544 CB ILE A 40 -0.732 8.318 -4.843 1.00 0.00 C ATOM 545 CG1 ILE A 40 0.225 7.368 -4.121 1.00 0.00 C ATOM 546 CG2 ILE A 40 -1.705 7.568 -5.755 1.00 0.00 C ATOM 547 CD1 ILE A 40 -0.471 6.678 -2.946 1.00 0.00 C ATOM 0 H ILE A 40 -1.772 9.970 -6.499 1.00 0.00 H new ATOM 0 HA ILE A 40 0.698 9.864 -4.901 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.327 8.818 -4.078 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.595 6.618 -4.820 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.091 7.923 -3.760 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.241 6.816 -5.175 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.418 8.272 -6.184 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.150 7.080 -6.556 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.231 6.008 -2.450 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.819 7.429 -2.237 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.322 6.104 -3.313 1.00 0.00 H new ATOM 559 N ASP A 41 2.223 8.768 -6.438 1.00 0.00 N ATOM 560 CA ASP A 41 3.188 8.249 -7.393 1.00 0.00 C ATOM 561 C ASP A 41 2.956 6.748 -7.581 1.00 0.00 C ATOM 562 O ASP A 41 2.972 6.250 -8.705 1.00 0.00 O ATOM 563 CB ASP A 41 4.620 8.447 -6.893 1.00 0.00 C ATOM 564 CG ASP A 41 5.345 9.664 -7.471 1.00 0.00 C ATOM 565 OD1 ASP A 41 5.293 9.819 -8.710 1.00 0.00 O ATOM 566 OD2 ASP A 41 5.934 10.411 -6.661 1.00 0.00 O ATOM 0 H ASP A 41 2.624 9.083 -5.555 1.00 0.00 H new ATOM 0 HA ASP A 41 3.057 8.788 -8.331 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.600 8.537 -5.807 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.198 7.553 -7.128 1.00 0.00 H new ATOM 571 N GLY A 42 2.745 6.070 -6.462 1.00 0.00 N ATOM 572 CA GLY A 42 2.509 4.636 -6.490 1.00 0.00 C ATOM 573 C GLY A 42 2.636 4.033 -5.089 1.00 0.00 C ATOM 574 O GLY A 42 2.575 4.751 -4.092 1.00 0.00 O ATOM 0 H GLY A 42 2.733 6.487 -5.531 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.514 4.435 -6.888 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.223 4.159 -7.161 1.00 0.00 H new ATOM 578 N TYR A 43 2.810 2.720 -5.059 1.00 0.00 N ATOM 579 CA TYR A 43 2.946 2.012 -3.797 1.00 0.00 C ATOM 580 C TYR A 43 4.195 1.129 -3.796 1.00 0.00 C ATOM 581 O TYR A 43 4.521 0.507 -4.806 1.00 0.00 O ATOM 582 CB TYR A 43 1.707 1.123 -3.677 1.00 0.00 C ATOM 583 CG TYR A 43 0.491 1.828 -3.072 1.00 0.00 C ATOM 584 CD1 TYR A 43 0.444 2.080 -1.716 1.00 0.00 C ATOM 585 CD2 TYR A 43 -0.558 2.213 -3.882 1.00 0.00 C ATOM 586 CE1 TYR A 43 -0.700 2.744 -1.146 1.00 0.00 C ATOM 587 CE2 TYR A 43 -1.702 2.876 -3.313 1.00 0.00 C ATOM 588 CZ TYR A 43 -1.716 3.109 -1.973 1.00 0.00 C ATOM 589 OH TYR A 43 -2.797 3.736 -1.435 1.00 0.00 O ATOM 0 H TYR A 43 2.860 2.128 -5.888 1.00 0.00 H new ATOM 0 HA TYR A 43 3.037 2.716 -2.970 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.443 0.750 -4.667 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.953 0.255 -3.065 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.265 1.779 -1.082 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.521 2.017 -4.943 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.750 2.947 -0.086 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.530 3.181 -3.936 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.589 3.167 -1.536 1.00 0.00 H new ATOM 599 N LEU A 44 4.860 1.101 -2.651 1.00 0.00 N ATOM 600 CA LEU A 44 6.066 0.304 -2.505 1.00 0.00 C ATOM 601 C LEU A 44 5.746 -0.955 -1.697 1.00 0.00 C ATOM 602 O LEU A 44 5.324 -0.868 -0.545 1.00 0.00 O ATOM 603 CB LEU A 44 7.196 1.146 -1.908 1.00 0.00 C ATOM 604 CG LEU A 44 8.130 1.823 -2.913 1.00 0.00 C ATOM 605 CD1 LEU A 44 9.279 2.537 -2.198 1.00 0.00 C ATOM 606 CD2 LEU A 44 8.637 0.821 -3.953 1.00 0.00 C ATOM 0 H LEU A 44 4.587 1.618 -1.815 1.00 0.00 H new ATOM 0 HA LEU A 44 6.425 -0.025 -3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.754 1.917 -1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.795 0.507 -1.259 1.00 0.00 H new ATOM 0 HG LEU A 44 7.561 2.583 -3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.928 3.010 -2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.875 3.297 -1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.853 1.813 -1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.299 1.329 -4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.184 0.022 -3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.790 0.398 -4.494 1.00 0.00 H new ATOM 618 N VAL A 45 5.958 -2.098 -2.334 1.00 0.00 N ATOM 619 CA VAL A 45 5.696 -3.374 -1.689 1.00 0.00 C ATOM 620 C VAL A 45 6.999 -3.918 -1.099 1.00 0.00 C ATOM 621 O VAL A 45 8.003 -4.031 -1.800 1.00 0.00 O ATOM 622 CB VAL A 45 5.041 -4.337 -2.681 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.638 -5.642 -1.992 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.839 -3.684 -3.366 1.00 0.00 C ATOM 0 H VAL A 45 6.308 -2.167 -3.290 1.00 0.00 H new ATOM 0 HA VAL A 45 4.993 -3.249 -0.866 1.00 0.00 H new ATOM 0 HB VAL A 45 5.775 -4.577 -3.450 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.175 -6.309 -2.719 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.523 -6.120 -1.573 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.929 -5.427 -1.193 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.392 -4.390 -4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.102 -3.401 -2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.166 -2.795 -3.906 1.00 0.00 H new ATOM 634 N GLU A 46 6.940 -4.241 0.185 1.00 0.00 N ATOM 635 CA GLU A 46 8.102 -4.771 0.878 1.00 0.00 C ATOM 636 C GLU A 46 7.694 -5.931 1.788 1.00 0.00 C ATOM 637 O GLU A 46 6.646 -5.882 2.429 1.00 0.00 O ATOM 638 CB GLU A 46 8.814 -3.674 1.672 1.00 0.00 C ATOM 639 CG GLU A 46 9.287 -2.549 0.751 1.00 0.00 C ATOM 640 CD GLU A 46 8.840 -1.184 1.278 1.00 0.00 C ATOM 641 OE1 GLU A 46 9.410 -0.758 2.306 1.00 0.00 O ATOM 642 OE2 GLU A 46 7.939 -0.596 0.642 1.00 0.00 O ATOM 0 H GLU A 46 6.105 -4.146 0.763 1.00 0.00 H new ATOM 0 HA GLU A 46 8.804 -5.149 0.134 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.139 -3.271 2.427 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.667 -4.099 2.201 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.374 -2.573 0.670 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.889 -2.704 -0.252 1.00 0.00 H new ATOM 649 N TYR A 47 8.544 -6.947 1.815 1.00 0.00 N ATOM 650 CA TYR A 47 8.286 -8.117 2.636 1.00 0.00 C ATOM 651 C TYR A 47 9.413 -8.339 3.646 1.00 0.00 C ATOM 652 O TYR A 47 10.567 -8.011 3.375 1.00 0.00 O ATOM 653 CB TYR A 47 8.239 -9.306 1.673 1.00 0.00 C ATOM 654 CG TYR A 47 9.565 -9.585 0.964 1.00 0.00 C ATOM 655 CD1 TYR A 47 9.879 -8.915 -0.201 1.00 0.00 C ATOM 656 CD2 TYR A 47 10.448 -10.506 1.490 1.00 0.00 C ATOM 657 CE1 TYR A 47 11.128 -9.178 -0.868 1.00 0.00 C ATOM 658 CE2 TYR A 47 11.697 -10.769 0.822 1.00 0.00 C ATOM 659 CZ TYR A 47 11.975 -10.092 -0.324 1.00 0.00 C ATOM 660 OH TYR A 47 13.154 -10.340 -0.954 1.00 0.00 O ATOM 0 H TYR A 47 9.412 -6.984 1.281 1.00 0.00 H new ATOM 0 HA TYR A 47 7.359 -7.995 3.196 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.940 -10.197 2.226 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.469 -9.123 0.923 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.188 -8.194 -0.612 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.203 -11.029 2.402 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.386 -8.661 -1.780 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.397 -11.488 1.222 1.00 0.00 H new ATOM 0 HH TYR A 47 13.658 -11.014 -0.452 1.00 0.00 H new ATOM 670 N CYS A 48 9.040 -8.894 4.790 1.00 0.00 N ATOM 671 CA CYS A 48 10.005 -9.163 5.842 1.00 0.00 C ATOM 672 C CYS A 48 9.949 -10.655 6.175 1.00 0.00 C ATOM 673 O CYS A 48 8.930 -11.150 6.655 1.00 0.00 O ATOM 674 CB CYS A 48 9.755 -8.293 7.075 1.00 0.00 C ATOM 675 SG CYS A 48 10.662 -8.970 8.513 1.00 0.00 S ATOM 0 H CYS A 48 8.082 -9.165 5.011 1.00 0.00 H new ATOM 0 HA CYS A 48 11.006 -8.907 5.495 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.077 -7.270 6.880 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.688 -8.255 7.293 1.00 0.00 H new ATOM 0 HG CYS A 48 10.444 -8.223 9.554 1.00 0.00 H new ATOM 681 N LEU A 49 11.057 -11.331 5.907 1.00 0.00 N ATOM 682 CA LEU A 49 11.147 -12.756 6.173 1.00 0.00 C ATOM 683 C LEU A 49 10.985 -13.002 7.674 1.00 0.00 C ATOM 684 O LEU A 49 11.538 -12.267 8.491 1.00 0.00 O ATOM 685 CB LEU A 49 12.441 -13.329 5.592 1.00 0.00 C ATOM 686 CG LEU A 49 12.479 -13.493 4.071 1.00 0.00 C ATOM 687 CD1 LEU A 49 13.837 -13.070 3.508 1.00 0.00 C ATOM 688 CD2 LEU A 49 12.110 -14.921 3.665 1.00 0.00 C ATOM 0 H LEU A 49 11.900 -10.918 5.508 1.00 0.00 H new ATOM 0 HA LEU A 49 10.337 -13.288 5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.267 -12.682 5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.620 -14.303 6.047 1.00 0.00 H new ATOM 0 HG LEU A 49 11.730 -12.831 3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.837 -13.196 2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 49 14.022 -12.024 3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.621 -13.688 3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.145 -15.011 2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.818 -15.620 4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 49 11.104 -15.151 4.016 1.00 0.00 H new ATOM 700 N GLU A 50 10.224 -14.039 7.993 1.00 0.00 N ATOM 701 CA GLU A 50 9.982 -14.391 9.382 1.00 0.00 C ATOM 702 C GLU A 50 11.307 -14.495 10.141 1.00 0.00 C ATOM 703 O GLU A 50 12.238 -15.156 9.684 1.00 0.00 O ATOM 704 CB GLU A 50 9.186 -15.693 9.487 1.00 0.00 C ATOM 705 CG GLU A 50 7.892 -15.483 10.275 1.00 0.00 C ATOM 706 CD GLU A 50 7.722 -16.560 11.348 1.00 0.00 C ATOM 707 OE1 GLU A 50 7.400 -17.703 10.958 1.00 0.00 O ATOM 708 OE2 GLU A 50 7.917 -16.215 12.534 1.00 0.00 O ATOM 0 H GLU A 50 9.767 -14.647 7.313 1.00 0.00 H new ATOM 0 HA GLU A 50 9.385 -13.601 9.838 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.952 -16.062 8.488 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.793 -16.456 9.974 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.902 -14.498 10.742 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.040 -15.505 9.595 1.00 0.00 H new ATOM 715 N GLY A 51 11.348 -13.833 11.288 1.00 0.00 N ATOM 716 CA GLY A 51 12.543 -13.843 12.115 1.00 0.00 C ATOM 717 C GLY A 51 13.440 -12.645 11.797 1.00 0.00 C ATOM 718 O GLY A 51 14.125 -12.126 12.677 1.00 0.00 O ATOM 0 H GLY A 51 10.573 -13.286 11.664 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.261 -13.822 13.168 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.095 -14.769 11.952 1.00 0.00 H new ATOM 722 N SER A 52 13.407 -12.240 10.535 1.00 0.00 N ATOM 723 CA SER A 52 14.209 -11.113 10.090 1.00 0.00 C ATOM 724 C SER A 52 13.512 -9.800 10.452 1.00 0.00 C ATOM 725 O SER A 52 12.294 -9.766 10.623 1.00 0.00 O ATOM 726 CB SER A 52 14.465 -11.180 8.583 1.00 0.00 C ATOM 727 OG SER A 52 15.616 -10.431 8.203 1.00 0.00 O ATOM 0 H SER A 52 12.838 -12.672 9.807 1.00 0.00 H new ATOM 0 HA SER A 52 15.173 -11.157 10.597 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.594 -12.220 8.283 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.593 -10.800 8.050 1.00 0.00 H new ATOM 0 HG SER A 52 15.746 -10.500 7.234 1.00 0.00 H new ATOM 733 N GLU A 53 14.314 -8.750 10.557 1.00 0.00 N ATOM 734 CA GLU A 53 13.789 -7.438 10.895 1.00 0.00 C ATOM 735 C GLU A 53 14.054 -6.451 9.756 1.00 0.00 C ATOM 736 O GLU A 53 13.953 -5.240 9.944 1.00 0.00 O ATOM 737 CB GLU A 53 14.385 -6.932 12.209 1.00 0.00 C ATOM 738 CG GLU A 53 13.494 -5.859 12.838 1.00 0.00 C ATOM 739 CD GLU A 53 14.272 -5.030 13.862 1.00 0.00 C ATOM 740 OE1 GLU A 53 14.614 -5.606 14.917 1.00 0.00 O ATOM 741 OE2 GLU A 53 14.508 -3.838 13.565 1.00 0.00 O ATOM 0 H GLU A 53 15.323 -8.782 10.414 1.00 0.00 H new ATOM 0 HA GLU A 53 12.711 -7.523 11.032 1.00 0.00 H new ATOM 0 HB2 GLU A 53 14.503 -7.764 12.903 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.379 -6.524 12.028 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.101 -5.206 12.059 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.638 -6.330 13.321 1.00 0.00 H new ATOM 748 N GLU A 54 14.389 -7.006 8.600 1.00 0.00 N ATOM 749 CA GLU A 54 14.670 -6.189 7.432 1.00 0.00 C ATOM 750 C GLU A 54 13.598 -6.409 6.362 1.00 0.00 C ATOM 751 O GLU A 54 13.448 -7.515 5.846 1.00 0.00 O ATOM 752 CB GLU A 54 16.066 -6.485 6.879 1.00 0.00 C ATOM 753 CG GLU A 54 16.309 -5.729 5.571 1.00 0.00 C ATOM 754 CD GLU A 54 17.776 -5.316 5.441 1.00 0.00 C ATOM 755 OE1 GLU A 54 18.635 -6.180 5.719 1.00 0.00 O ATOM 756 OE2 GLU A 54 18.006 -4.146 5.067 1.00 0.00 O ATOM 0 H GLU A 54 14.472 -8.011 8.448 1.00 0.00 H new ATOM 0 HA GLU A 54 14.649 -5.141 7.731 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.820 -6.200 7.613 1.00 0.00 H new ATOM 0 HB3 GLU A 54 16.174 -7.556 6.710 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.028 -6.358 4.726 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.674 -4.844 5.535 1.00 0.00 H new ATOM 763 N TRP A 55 12.881 -5.336 6.059 1.00 0.00 N ATOM 764 CA TRP A 55 11.828 -5.397 5.060 1.00 0.00 C ATOM 765 C TRP A 55 12.467 -5.182 3.686 1.00 0.00 C ATOM 766 O TRP A 55 12.952 -4.092 3.387 1.00 0.00 O ATOM 767 CB TRP A 55 10.721 -4.388 5.368 1.00 0.00 C ATOM 768 CG TRP A 55 9.882 -4.741 6.599 1.00 0.00 C ATOM 769 CD1 TRP A 55 10.164 -4.499 7.886 1.00 0.00 C ATOM 770 CD2 TRP A 55 8.605 -5.414 6.605 1.00 0.00 C ATOM 771 NE1 TRP A 55 9.166 -4.965 8.718 1.00 0.00 N ATOM 772 CE2 TRP A 55 8.189 -5.539 7.914 1.00 0.00 C ATOM 773 CE3 TRP A 55 7.829 -5.901 5.539 1.00 0.00 C ATOM 774 CZ2 TRP A 55 6.982 -6.149 8.280 1.00 0.00 C ATOM 775 CZ3 TRP A 55 6.626 -6.508 5.921 1.00 0.00 C ATOM 776 CH2 TRP A 55 6.192 -6.642 7.235 1.00 0.00 C ATOM 0 H TRP A 55 13.009 -4.420 6.488 1.00 0.00 H new ATOM 0 HA TRP A 55 11.343 -6.373 5.070 1.00 0.00 H new ATOM 0 HB2 TRP A 55 11.170 -3.406 5.516 1.00 0.00 H new ATOM 0 HB3 TRP A 55 10.063 -4.310 4.502 1.00 0.00 H new ATOM 0 HD1 TRP A 55 11.059 -4.002 8.229 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.149 -4.900 9.736 1.00 0.00 H new ATOM 0 HE3 TRP A 55 8.136 -5.814 4.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 6.678 -6.234 9.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 5.991 -6.899 5.140 1.00 0.00 H new ATOM 0 HH2 TRP A 55 5.250 -7.124 7.448 1.00 0.00 H new ATOM 787 N VAL A 56 12.447 -6.239 2.888 1.00 0.00 N ATOM 788 CA VAL A 56 13.018 -6.180 1.553 1.00 0.00 C ATOM 789 C VAL A 56 11.969 -5.642 0.578 1.00 0.00 C ATOM 790 O VAL A 56 10.789 -5.974 0.684 1.00 0.00 O ATOM 791 CB VAL A 56 13.557 -7.555 1.153 1.00 0.00 C ATOM 792 CG1 VAL A 56 14.181 -7.514 -0.243 1.00 0.00 C ATOM 793 CG2 VAL A 56 14.560 -8.073 2.186 1.00 0.00 C ATOM 0 H VAL A 56 12.044 -7.142 3.140 1.00 0.00 H new ATOM 0 HA VAL A 56 13.865 -5.495 1.530 1.00 0.00 H new ATOM 0 HB VAL A 56 12.717 -8.249 1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 56 14.556 -8.504 -0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.428 -7.209 -0.969 1.00 0.00 H new ATOM 0 HG13 VAL A 56 15.004 -6.800 -0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 56 14.927 -9.052 1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.397 -7.378 2.261 1.00 0.00 H new ATOM 0 HG23 VAL A 56 14.071 -8.158 3.157 1.00 0.00 H new ATOM 803 N PRO A 57 12.449 -4.799 -0.375 1.00 0.00 N ATOM 804 CA PRO A 57 11.566 -4.212 -1.369 1.00 0.00 C ATOM 805 C PRO A 57 11.173 -5.242 -2.430 1.00 0.00 C ATOM 806 O PRO A 57 12.015 -5.695 -3.203 1.00 0.00 O ATOM 807 CB PRO A 57 12.343 -3.038 -1.941 1.00 0.00 C ATOM 808 CG PRO A 57 13.800 -3.288 -1.585 1.00 0.00 C ATOM 809 CD PRO A 57 13.840 -4.384 -0.531 1.00 0.00 C ATOM 0 HA PRO A 57 10.619 -3.878 -0.945 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.211 -2.971 -3.021 1.00 0.00 H new ATOM 0 HB3 PRO A 57 11.994 -2.096 -1.518 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.363 -3.587 -2.469 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.262 -2.377 -1.206 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.468 -5.216 -0.849 1.00 0.00 H new ATOM 0 HD3 PRO A 57 14.251 -4.015 0.409 1.00 0.00 H new ATOM 817 N ALA A 58 9.892 -5.583 -2.431 1.00 0.00 N ATOM 818 CA ALA A 58 9.377 -6.551 -3.384 1.00 0.00 C ATOM 819 C ALA A 58 9.483 -5.975 -4.798 1.00 0.00 C ATOM 820 O ALA A 58 9.869 -6.678 -5.731 1.00 0.00 O ATOM 821 CB ALA A 58 7.940 -6.920 -3.011 1.00 0.00 C ATOM 0 H ALA A 58 9.196 -5.206 -1.787 1.00 0.00 H new ATOM 0 HA ALA A 58 9.967 -7.467 -3.356 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.554 -7.646 -3.726 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.923 -7.352 -2.010 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.318 -6.025 -3.031 1.00 0.00 H new ATOM 827 N ASN A 59 9.133 -4.703 -4.912 1.00 0.00 N ATOM 828 CA ASN A 59 9.184 -4.024 -6.196 1.00 0.00 C ATOM 829 C ASN A 59 10.138 -2.832 -6.100 1.00 0.00 C ATOM 830 O ASN A 59 9.881 -1.885 -5.359 1.00 0.00 O ATOM 831 CB ASN A 59 7.805 -3.496 -6.594 1.00 0.00 C ATOM 832 CG ASN A 59 7.245 -2.559 -5.522 1.00 0.00 C ATOM 833 OD1 ASN A 59 7.682 -2.547 -4.383 1.00 0.00 O ATOM 834 ND2 ASN A 59 6.258 -1.777 -5.948 1.00 0.00 N ATOM 0 H ASN A 59 8.813 -4.124 -4.136 1.00 0.00 H new ATOM 0 HA ASN A 59 9.525 -4.740 -6.943 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.875 -2.966 -7.544 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.121 -4.332 -6.744 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.819 -1.116 -5.308 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.940 -1.838 -6.915 1.00 0.00 H new ATOM 841 N LYS A 60 11.219 -2.917 -6.862 1.00 0.00 N ATOM 842 CA LYS A 60 12.212 -1.857 -6.873 1.00 0.00 C ATOM 843 C LYS A 60 11.510 -0.508 -7.043 1.00 0.00 C ATOM 844 O LYS A 60 11.895 0.479 -6.417 1.00 0.00 O ATOM 845 CB LYS A 60 13.279 -2.133 -7.934 1.00 0.00 C ATOM 846 CG LYS A 60 14.677 -2.162 -7.311 1.00 0.00 C ATOM 847 CD LYS A 60 15.740 -2.478 -8.365 1.00 0.00 C ATOM 848 CE LYS A 60 16.457 -1.204 -8.819 1.00 0.00 C ATOM 849 NZ LYS A 60 17.869 -1.219 -8.377 1.00 0.00 N ATOM 0 H LYS A 60 11.429 -3.704 -7.476 1.00 0.00 H new ATOM 0 HA LYS A 60 12.743 -1.823 -5.922 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.074 -3.086 -8.421 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.237 -1.365 -8.706 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.893 -1.199 -6.849 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.711 -2.910 -6.519 1.00 0.00 H new ATOM 0 HD2 LYS A 60 16.465 -3.182 -7.956 1.00 0.00 H new ATOM 0 HD3 LYS A 60 15.274 -2.963 -9.223 1.00 0.00 H new ATOM 0 HE2 LYS A 60 16.410 -1.121 -9.905 1.00 0.00 H new ATOM 0 HE3 LYS A 60 15.951 -0.329 -8.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 18.341 -0.348 -8.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 17.907 -1.277 -7.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 18.353 -2.043 -8.788 1.00 0.00 H new ATOM 863 N GLU A 61 10.494 -0.509 -7.893 1.00 0.00 N ATOM 864 CA GLU A 61 9.735 0.702 -8.153 1.00 0.00 C ATOM 865 C GLU A 61 8.278 0.519 -7.723 1.00 0.00 C ATOM 866 O GLU A 61 7.759 -0.596 -7.735 1.00 0.00 O ATOM 867 CB GLU A 61 9.826 1.100 -9.628 1.00 0.00 C ATOM 868 CG GLU A 61 8.954 0.189 -10.495 1.00 0.00 C ATOM 869 CD GLU A 61 9.626 -0.092 -11.841 1.00 0.00 C ATOM 870 OE1 GLU A 61 10.871 -0.205 -11.842 1.00 0.00 O ATOM 871 OE2 GLU A 61 8.879 -0.189 -12.839 1.00 0.00 O ATOM 0 H GLU A 61 10.179 -1.329 -8.411 1.00 0.00 H new ATOM 0 HA GLU A 61 10.167 1.511 -7.565 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.509 2.136 -9.749 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.862 1.042 -9.961 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.771 -0.750 -9.973 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.983 0.657 -10.659 1.00 0.00 H new ATOM 878 N PRO A 62 7.643 1.660 -7.344 1.00 0.00 N ATOM 879 CA PRO A 62 6.256 1.636 -6.910 1.00 0.00 C ATOM 880 C PRO A 62 5.312 1.466 -8.103 1.00 0.00 C ATOM 881 O PRO A 62 5.450 2.156 -9.111 1.00 0.00 O ATOM 882 CB PRO A 62 6.051 2.949 -6.173 1.00 0.00 C ATOM 883 CG PRO A 62 7.185 3.858 -6.619 1.00 0.00 C ATOM 884 CD PRO A 62 8.226 2.998 -7.317 1.00 0.00 C ATOM 0 HA PRO A 62 6.033 0.791 -6.259 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.082 3.386 -6.415 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.072 2.799 -5.094 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.813 4.629 -7.293 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.624 4.369 -5.762 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.430 3.362 -8.324 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.173 3.007 -6.778 1.00 0.00 H new ATOM 892 N VAL A 63 4.375 0.543 -7.947 1.00 0.00 N ATOM 893 CA VAL A 63 3.408 0.274 -8.998 1.00 0.00 C ATOM 894 C VAL A 63 2.319 1.348 -8.972 1.00 0.00 C ATOM 895 O VAL A 63 2.213 2.106 -8.008 1.00 0.00 O ATOM 896 CB VAL A 63 2.853 -1.144 -8.848 1.00 0.00 C ATOM 897 CG1 VAL A 63 3.970 -2.140 -8.529 1.00 0.00 C ATOM 898 CG2 VAL A 63 1.755 -1.193 -7.783 1.00 0.00 C ATOM 0 H VAL A 63 4.265 -0.028 -7.109 1.00 0.00 H new ATOM 0 HA VAL A 63 3.886 0.320 -9.977 1.00 0.00 H new ATOM 0 HB VAL A 63 2.409 -1.432 -9.801 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.548 -3.140 -8.428 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.703 -2.136 -9.336 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.456 -1.855 -7.596 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.378 -2.212 -7.696 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.164 -0.875 -6.824 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.941 -0.528 -8.069 1.00 0.00 H new ATOM 908 N GLU A 64 1.537 1.379 -10.041 1.00 0.00 N ATOM 909 CA GLU A 64 0.460 2.348 -10.152 1.00 0.00 C ATOM 910 C GLU A 64 -0.875 1.704 -9.773 1.00 0.00 C ATOM 911 O GLU A 64 -1.707 2.331 -9.119 1.00 0.00 O ATOM 912 CB GLU A 64 0.402 2.944 -11.560 1.00 0.00 C ATOM 913 CG GLU A 64 1.643 3.790 -11.850 1.00 0.00 C ATOM 914 CD GLU A 64 1.420 5.248 -11.441 1.00 0.00 C ATOM 915 OE1 GLU A 64 0.786 5.450 -10.383 1.00 0.00 O ATOM 916 OE2 GLU A 64 1.889 6.127 -12.195 1.00 0.00 O ATOM 0 H GLU A 64 1.628 0.749 -10.838 1.00 0.00 H new ATOM 0 HA GLU A 64 0.658 3.163 -9.456 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.324 2.143 -12.295 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.493 3.558 -11.662 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.499 3.384 -11.311 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.882 3.739 -12.912 1.00 0.00 H new ATOM 923 N ARG A 65 -1.037 0.461 -10.200 1.00 0.00 N ATOM 924 CA ARG A 65 -2.257 -0.275 -9.913 1.00 0.00 C ATOM 925 C ARG A 65 -2.348 -0.591 -8.419 1.00 0.00 C ATOM 926 O ARG A 65 -1.367 -0.449 -7.690 1.00 0.00 O ATOM 927 CB ARG A 65 -2.311 -1.582 -10.708 1.00 0.00 C ATOM 928 CG ARG A 65 -1.185 -2.528 -10.285 1.00 0.00 C ATOM 929 CD ARG A 65 -1.603 -3.989 -10.458 1.00 0.00 C ATOM 930 NE ARG A 65 -0.572 -4.723 -11.227 1.00 0.00 N ATOM 931 CZ ARG A 65 -0.724 -5.973 -11.684 1.00 0.00 C ATOM 932 NH1 ARG A 65 -1.865 -6.637 -11.453 1.00 0.00 N ATOM 933 NH2 ARG A 65 0.265 -6.559 -12.372 1.00 0.00 N ATOM 0 H ARG A 65 -0.344 -0.055 -10.742 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.099 0.352 -10.207 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.275 -2.066 -10.553 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.229 -1.367 -11.774 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.294 -2.328 -10.880 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.921 -2.342 -9.244 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.741 -4.454 -9.482 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.561 -4.043 -10.975 1.00 0.00 H new ATOM 0 HE ARG A 65 0.309 -4.247 -11.421 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.618 -6.191 -10.929 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.981 -7.589 -11.801 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.133 -6.053 -12.548 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.150 -7.511 -12.720 1.00 0.00 H new ATOM 947 N CYS A 66 -3.535 -1.013 -8.007 1.00 0.00 N ATOM 948 CA CYS A 66 -3.767 -1.349 -6.613 1.00 0.00 C ATOM 949 C CYS A 66 -3.507 -2.846 -6.430 1.00 0.00 C ATOM 950 O CYS A 66 -4.425 -3.607 -6.127 1.00 0.00 O ATOM 951 CB CYS A 66 -5.175 -0.955 -6.162 1.00 0.00 C ATOM 952 SG CYS A 66 -5.649 0.643 -6.917 1.00 0.00 S ATOM 0 H CYS A 66 -4.346 -1.130 -8.615 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.083 -0.782 -5.981 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.888 -1.728 -6.449 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.210 -0.878 -5.075 1.00 0.00 H new ATOM 0 HG CYS A 66 -6.943 0.768 -6.893 1.00 0.00 H new ATOM 958 N GLY A 67 -2.252 -3.224 -6.623 1.00 0.00 N ATOM 959 CA GLY A 67 -1.860 -4.616 -6.483 1.00 0.00 C ATOM 960 C GLY A 67 -0.481 -4.862 -7.099 1.00 0.00 C ATOM 961 O GLY A 67 0.055 -4.001 -7.795 1.00 0.00 O ATOM 0 H GLY A 67 -1.493 -2.590 -6.875 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.845 -4.889 -5.428 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.598 -5.256 -6.967 1.00 0.00 H new ATOM 965 N PHE A 68 0.054 -6.042 -6.821 1.00 0.00 N ATOM 966 CA PHE A 68 1.360 -6.412 -7.339 1.00 0.00 C ATOM 967 C PHE A 68 1.621 -7.908 -7.151 1.00 0.00 C ATOM 968 O PHE A 68 0.849 -8.598 -6.487 1.00 0.00 O ATOM 969 CB PHE A 68 2.399 -5.621 -6.540 1.00 0.00 C ATOM 970 CG PHE A 68 3.844 -5.885 -6.967 1.00 0.00 C ATOM 971 CD1 PHE A 68 4.287 -5.448 -8.176 1.00 0.00 C ATOM 972 CD2 PHE A 68 4.687 -6.555 -6.136 1.00 0.00 C ATOM 973 CE1 PHE A 68 5.628 -5.693 -8.572 1.00 0.00 C ATOM 974 CE2 PHE A 68 6.028 -6.800 -6.532 1.00 0.00 C ATOM 975 CZ PHE A 68 6.471 -6.364 -7.741 1.00 0.00 C ATOM 0 H PHE A 68 -0.393 -6.754 -6.244 1.00 0.00 H new ATOM 0 HA PHE A 68 1.413 -6.192 -8.405 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.189 -4.556 -6.644 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.293 -5.865 -5.483 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.618 -4.914 -8.835 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.336 -6.901 -5.175 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.979 -5.347 -9.533 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.697 -7.333 -5.872 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.491 -6.550 -8.042 1.00 0.00 H new ATOM 985 N THR A 69 2.713 -8.365 -7.747 1.00 0.00 N ATOM 986 CA THR A 69 3.085 -9.767 -7.653 1.00 0.00 C ATOM 987 C THR A 69 4.552 -9.902 -7.242 1.00 0.00 C ATOM 988 O THR A 69 5.448 -9.496 -7.981 1.00 0.00 O ATOM 989 CB THR A 69 2.766 -10.431 -8.994 1.00 0.00 C ATOM 990 OG1 THR A 69 1.371 -10.715 -8.917 1.00 0.00 O ATOM 991 CG2 THR A 69 3.419 -11.807 -9.136 1.00 0.00 C ATOM 0 H THR A 69 3.352 -7.790 -8.296 1.00 0.00 H new ATOM 0 HA THR A 69 2.514 -10.277 -6.877 1.00 0.00 H new ATOM 0 HB THR A 69 3.099 -9.786 -9.807 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.079 -11.146 -9.747 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.161 -12.234 -10.105 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.502 -11.705 -9.061 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.061 -12.463 -8.343 1.00 0.00 H new ATOM 999 N VAL A 70 4.753 -10.475 -6.064 1.00 0.00 N ATOM 1000 CA VAL A 70 6.096 -10.669 -5.546 1.00 0.00 C ATOM 1001 C VAL A 70 6.692 -11.943 -6.148 1.00 0.00 C ATOM 1002 O VAL A 70 5.958 -12.847 -6.547 1.00 0.00 O ATOM 1003 CB VAL A 70 6.069 -10.687 -4.016 1.00 0.00 C ATOM 1004 CG1 VAL A 70 7.488 -10.732 -3.443 1.00 0.00 C ATOM 1005 CG2 VAL A 70 5.294 -9.488 -3.467 1.00 0.00 C ATOM 0 H VAL A 70 4.008 -10.811 -5.454 1.00 0.00 H new ATOM 0 HA VAL A 70 6.741 -9.840 -5.837 1.00 0.00 H new ATOM 0 HB VAL A 70 5.551 -11.593 -3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.440 -10.744 -2.354 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.994 -11.631 -3.794 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.041 -9.853 -3.772 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.290 -9.525 -2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.770 -8.565 -3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.268 -9.518 -3.835 1.00 0.00 H new ATOM 1015 N LYS A 71 8.015 -11.975 -6.196 1.00 0.00 N ATOM 1016 CA LYS A 71 8.717 -13.123 -6.743 1.00 0.00 C ATOM 1017 C LYS A 71 9.936 -13.434 -5.872 1.00 0.00 C ATOM 1018 O LYS A 71 10.252 -12.683 -4.950 1.00 0.00 O ATOM 1019 CB LYS A 71 9.059 -12.890 -8.217 1.00 0.00 C ATOM 1020 CG LYS A 71 10.002 -11.696 -8.379 1.00 0.00 C ATOM 1021 CD LYS A 71 9.814 -11.030 -9.743 1.00 0.00 C ATOM 1022 CE LYS A 71 8.470 -10.302 -9.817 1.00 0.00 C ATOM 1023 NZ LYS A 71 8.644 -8.953 -10.400 1.00 0.00 N ATOM 0 H LYS A 71 8.620 -11.224 -5.865 1.00 0.00 H new ATOM 0 HA LYS A 71 8.077 -14.005 -6.723 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.524 -13.784 -8.632 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.144 -12.715 -8.783 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.815 -10.970 -7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.035 -12.027 -8.271 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.625 -10.324 -9.922 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.868 -11.783 -10.530 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.770 -10.879 -10.422 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.038 -10.221 -8.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.723 -8.472 -10.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.296 -8.400 -9.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.036 -9.037 -11.360 1.00 0.00 H new ATOM 1037 N ASP A 72 10.587 -14.542 -6.193 1.00 0.00 N ATOM 1038 CA ASP A 72 11.763 -14.961 -5.451 1.00 0.00 C ATOM 1039 C ASP A 72 11.422 -15.034 -3.961 1.00 0.00 C ATOM 1040 O ASP A 72 11.715 -14.107 -3.208 1.00 0.00 O ATOM 1041 CB ASP A 72 12.909 -13.962 -5.625 1.00 0.00 C ATOM 1042 CG ASP A 72 13.870 -14.274 -6.774 1.00 0.00 C ATOM 1043 OD1 ASP A 72 14.788 -15.089 -6.541 1.00 0.00 O ATOM 1044 OD2 ASP A 72 13.664 -13.690 -7.860 1.00 0.00 O ATOM 0 H ASP A 72 10.322 -15.163 -6.958 1.00 0.00 H new ATOM 0 HA ASP A 72 12.072 -15.935 -5.831 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.485 -12.970 -5.785 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.478 -13.920 -4.696 1.00 0.00 H new ATOM 1049 N LEU A 73 10.807 -16.144 -3.581 1.00 0.00 N ATOM 1050 CA LEU A 73 10.423 -16.350 -2.195 1.00 0.00 C ATOM 1051 C LEU A 73 10.663 -17.812 -1.815 1.00 0.00 C ATOM 1052 O LEU A 73 10.523 -18.705 -2.650 1.00 0.00 O ATOM 1053 CB LEU A 73 8.984 -15.883 -1.963 1.00 0.00 C ATOM 1054 CG LEU A 73 8.631 -14.500 -2.515 1.00 0.00 C ATOM 1055 CD1 LEU A 73 7.115 -14.312 -2.594 1.00 0.00 C ATOM 1056 CD2 LEU A 73 9.303 -13.395 -1.697 1.00 0.00 C ATOM 0 H LEU A 73 10.565 -16.910 -4.209 1.00 0.00 H new ATOM 0 HA LEU A 73 11.042 -15.743 -1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.309 -16.614 -2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.791 -15.884 -0.890 1.00 0.00 H new ATOM 0 HG LEU A 73 9.018 -14.429 -3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.891 -13.321 -2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.688 -15.070 -3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.684 -14.411 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.036 -12.423 -2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.968 -13.454 -0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.385 -13.521 -1.736 1.00 0.00 H new ATOM 1068 N PRO A 74 11.031 -18.017 -0.522 1.00 0.00 N ATOM 1069 CA PRO A 74 11.292 -19.356 -0.022 1.00 0.00 C ATOM 1070 C PRO A 74 9.987 -20.126 0.191 1.00 0.00 C ATOM 1071 O PRO A 74 9.144 -19.718 0.988 1.00 0.00 O ATOM 1072 CB PRO A 74 12.076 -19.149 1.264 1.00 0.00 C ATOM 1073 CG PRO A 74 11.824 -17.709 1.679 1.00 0.00 C ATOM 1074 CD PRO A 74 11.206 -16.984 0.494 1.00 0.00 C ATOM 0 HA PRO A 74 11.859 -19.965 -0.726 1.00 0.00 H new ATOM 0 HB2 PRO A 74 11.746 -19.842 2.038 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.139 -19.330 1.106 1.00 0.00 H new ATOM 0 HG2 PRO A 74 11.157 -17.671 2.540 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.756 -17.229 1.977 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.253 -16.527 0.762 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.854 -16.184 0.137 1.00 0.00 H new ATOM 1082 N THR A 75 9.862 -21.227 -0.537 1.00 0.00 N ATOM 1083 CA THR A 75 8.675 -22.058 -0.438 1.00 0.00 C ATOM 1084 C THR A 75 8.526 -22.609 0.981 1.00 0.00 C ATOM 1085 O THR A 75 9.376 -23.364 1.450 1.00 0.00 O ATOM 1086 CB THR A 75 8.771 -23.149 -1.507 1.00 0.00 C ATOM 1087 OG1 THR A 75 8.698 -22.436 -2.738 1.00 0.00 O ATOM 1088 CG2 THR A 75 7.540 -24.057 -1.529 1.00 0.00 C ATOM 0 H THR A 75 10.563 -21.562 -1.197 1.00 0.00 H new ATOM 0 HA THR A 75 7.770 -21.479 -0.624 1.00 0.00 H new ATOM 0 HB THR A 75 9.663 -23.751 -1.332 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.942 -21.813 -2.711 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.659 -24.813 -2.305 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.431 -24.545 -0.561 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.652 -23.461 -1.737 1.00 0.00 H new ATOM 1096 N GLY A 76 7.439 -22.210 1.626 1.00 0.00 N ATOM 1097 CA GLY A 76 7.168 -22.655 2.982 1.00 0.00 C ATOM 1098 C GLY A 76 7.833 -21.732 4.005 1.00 0.00 C ATOM 1099 O GLY A 76 8.476 -22.201 4.943 1.00 0.00 O ATOM 0 H GLY A 76 6.736 -21.583 1.234 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.092 -22.678 3.153 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.533 -23.673 3.114 1.00 0.00 H new ATOM 1103 N ALA A 77 7.656 -20.437 3.789 1.00 0.00 N ATOM 1104 CA ALA A 77 8.231 -19.444 4.681 1.00 0.00 C ATOM 1105 C ALA A 77 7.178 -18.383 5.003 1.00 0.00 C ATOM 1106 O ALA A 77 6.541 -17.841 4.100 1.00 0.00 O ATOM 1107 CB ALA A 77 9.484 -18.846 4.038 1.00 0.00 C ATOM 0 H ALA A 77 7.123 -20.052 3.009 1.00 0.00 H new ATOM 0 HA ALA A 77 8.534 -19.903 5.622 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.916 -18.101 4.706 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.212 -19.636 3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.218 -18.374 3.092 1.00 0.00 H new ATOM 1113 N ARG A 78 7.025 -18.118 6.292 1.00 0.00 N ATOM 1114 CA ARG A 78 6.060 -17.131 6.745 1.00 0.00 C ATOM 1115 C ARG A 78 6.598 -15.718 6.516 1.00 0.00 C ATOM 1116 O ARG A 78 7.295 -15.170 7.369 1.00 0.00 O ATOM 1117 CB ARG A 78 5.740 -17.314 8.230 1.00 0.00 C ATOM 1118 CG ARG A 78 4.644 -18.363 8.429 1.00 0.00 C ATOM 1119 CD ARG A 78 5.225 -19.663 8.990 1.00 0.00 C ATOM 1120 NE ARG A 78 4.237 -20.757 8.857 1.00 0.00 N ATOM 1121 CZ ARG A 78 3.111 -20.845 9.578 1.00 0.00 C ATOM 1122 NH1 ARG A 78 2.823 -19.903 10.487 1.00 0.00 N ATOM 1123 NH2 ARG A 78 2.273 -21.873 9.389 1.00 0.00 N ATOM 0 H ARG A 78 7.554 -18.570 7.038 1.00 0.00 H new ATOM 0 HA ARG A 78 5.146 -17.273 6.168 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.640 -17.617 8.765 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.420 -16.363 8.657 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.885 -17.977 9.109 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.149 -18.562 7.478 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.140 -19.922 8.458 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.493 -19.529 10.038 1.00 0.00 H new ATOM 0 HE ARG A 78 4.425 -21.490 8.173 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.461 -19.120 10.629 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.966 -19.969 11.036 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.492 -22.589 8.696 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.416 -21.940 9.938 1.00 0.00 H new ATOM 1137 N ILE A 79 6.255 -15.167 5.361 1.00 0.00 N ATOM 1138 CA ILE A 79 6.696 -13.828 5.010 1.00 0.00 C ATOM 1139 C ILE A 79 5.521 -12.857 5.146 1.00 0.00 C ATOM 1140 O ILE A 79 4.391 -13.191 4.792 1.00 0.00 O ATOM 1141 CB ILE A 79 7.341 -13.823 3.622 1.00 0.00 C ATOM 1142 CG1 ILE A 79 8.533 -14.780 3.568 1.00 0.00 C ATOM 1143 CG2 ILE A 79 7.726 -12.403 3.202 1.00 0.00 C ATOM 1144 CD1 ILE A 79 8.963 -15.039 2.123 1.00 0.00 C ATOM 0 H ILE A 79 5.676 -15.624 4.656 1.00 0.00 H new ATOM 0 HA ILE A 79 7.471 -13.489 5.697 1.00 0.00 H new ATOM 0 HB ILE A 79 6.606 -14.184 2.902 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.367 -14.360 4.130 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.269 -15.723 4.047 1.00 0.00 H new ATOM 0 HG21 ILE A 79 8.182 -12.427 2.212 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.834 -11.777 3.175 1.00 0.00 H new ATOM 0 HG23 ILE A 79 8.436 -11.992 3.919 1.00 0.00 H new ATOM 0 HD11 ILE A 79 9.812 -15.722 2.113 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.134 -15.482 1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.249 -14.098 1.654 1.00 0.00 H new ATOM 1156 N LEU A 80 5.828 -11.675 5.659 1.00 0.00 N ATOM 1157 CA LEU A 80 4.812 -10.654 5.846 1.00 0.00 C ATOM 1158 C LEU A 80 4.969 -9.580 4.768 1.00 0.00 C ATOM 1159 O LEU A 80 6.064 -9.058 4.562 1.00 0.00 O ATOM 1160 CB LEU A 80 4.861 -10.104 7.273 1.00 0.00 C ATOM 1161 CG LEU A 80 4.130 -10.928 8.335 1.00 0.00 C ATOM 1162 CD1 LEU A 80 4.555 -10.508 9.743 1.00 0.00 C ATOM 1163 CD2 LEU A 80 2.614 -10.846 8.145 1.00 0.00 C ATOM 0 H LEU A 80 6.766 -11.402 5.951 1.00 0.00 H new ATOM 0 HA LEU A 80 3.817 -11.082 5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.906 -10.011 7.570 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.440 -9.099 7.268 1.00 0.00 H new ATOM 0 HG LEU A 80 4.414 -11.973 8.212 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.021 -11.109 10.479 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.628 -10.661 9.860 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.320 -9.455 9.895 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.118 -11.440 8.913 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.293 -9.808 8.226 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.349 -11.232 7.160 1.00 0.00 H new ATOM 1175 N PHE A 81 3.860 -9.283 4.107 1.00 0.00 N ATOM 1176 CA PHE A 81 3.861 -8.281 3.055 1.00 0.00 C ATOM 1177 C PHE A 81 3.255 -6.966 3.549 1.00 0.00 C ATOM 1178 O PHE A 81 2.363 -6.969 4.397 1.00 0.00 O ATOM 1179 CB PHE A 81 3.000 -8.828 1.915 1.00 0.00 C ATOM 1180 CG PHE A 81 3.541 -10.116 1.290 1.00 0.00 C ATOM 1181 CD1 PHE A 81 4.837 -10.182 0.882 1.00 0.00 C ATOM 1182 CD2 PHE A 81 2.726 -11.195 1.143 1.00 0.00 C ATOM 1183 CE1 PHE A 81 5.339 -11.377 0.303 1.00 0.00 C ATOM 1184 CE2 PHE A 81 3.228 -12.390 0.563 1.00 0.00 C ATOM 1185 CZ PHE A 81 4.524 -12.456 0.155 1.00 0.00 C ATOM 0 H PHE A 81 2.954 -9.719 4.280 1.00 0.00 H new ATOM 0 HA PHE A 81 4.883 -8.081 2.734 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.993 -9.013 2.290 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.916 -8.067 1.139 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.484 -9.325 0.999 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.697 -11.143 1.467 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.368 -11.429 -0.020 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.581 -13.247 0.446 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.906 -13.365 -0.286 1.00 0.00 H new ATOM 1195 N ARG A 82 3.763 -5.873 2.998 1.00 0.00 N ATOM 1196 CA ARG A 82 3.283 -4.554 3.373 1.00 0.00 C ATOM 1197 C ARG A 82 3.309 -3.616 2.164 1.00 0.00 C ATOM 1198 O ARG A 82 4.239 -3.661 1.359 1.00 0.00 O ATOM 1199 CB ARG A 82 4.135 -3.954 4.493 1.00 0.00 C ATOM 1200 CG ARG A 82 5.588 -3.784 4.044 1.00 0.00 C ATOM 1201 CD ARG A 82 6.091 -2.369 4.339 1.00 0.00 C ATOM 1202 NE ARG A 82 7.330 -2.430 5.146 1.00 0.00 N ATOM 1203 CZ ARG A 82 8.255 -1.461 5.176 1.00 0.00 C ATOM 1204 NH1 ARG A 82 8.087 -0.351 4.444 1.00 0.00 N ATOM 1205 NH2 ARG A 82 9.349 -1.602 5.937 1.00 0.00 N ATOM 0 H ARG A 82 4.502 -5.874 2.295 1.00 0.00 H new ATOM 0 HA ARG A 82 2.259 -4.664 3.731 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.726 -2.988 4.788 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.095 -4.599 5.371 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.218 -4.512 4.555 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.669 -3.987 2.976 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.281 -1.840 3.405 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.326 -1.806 4.874 1.00 0.00 H new ATOM 0 HE ARG A 82 7.490 -3.261 5.715 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.255 -0.244 3.864 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.791 0.387 4.467 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.478 -2.447 6.494 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.053 -0.864 5.960 1.00 0.00 H new ATOM 1219 N VAL A 83 2.278 -2.789 2.073 1.00 0.00 N ATOM 1220 CA VAL A 83 2.172 -1.843 0.976 1.00 0.00 C ATOM 1221 C VAL A 83 2.170 -0.419 1.535 1.00 0.00 C ATOM 1222 O VAL A 83 1.390 -0.101 2.431 1.00 0.00 O ATOM 1223 CB VAL A 83 0.934 -2.156 0.133 1.00 0.00 C ATOM 1224 CG1 VAL A 83 0.388 -0.890 -0.530 1.00 0.00 C ATOM 1225 CG2 VAL A 83 1.238 -3.233 -0.909 1.00 0.00 C ATOM 0 H VAL A 83 1.508 -2.755 2.742 1.00 0.00 H new ATOM 0 HA VAL A 83 3.032 -1.930 0.312 1.00 0.00 H new ATOM 0 HB VAL A 83 0.164 -2.544 0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.492 -1.140 -1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.114 -0.166 0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.152 -0.460 -1.178 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.341 -3.436 -1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.032 -2.886 -1.570 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.558 -4.146 -0.406 1.00 0.00 H new ATOM 1235 N VAL A 84 3.052 0.401 0.982 1.00 0.00 N ATOM 1236 CA VAL A 84 3.162 1.784 1.414 1.00 0.00 C ATOM 1237 C VAL A 84 3.077 2.703 0.194 1.00 0.00 C ATOM 1238 O VAL A 84 3.822 2.532 -0.770 1.00 0.00 O ATOM 1239 CB VAL A 84 4.447 1.979 2.222 1.00 0.00 C ATOM 1240 CG1 VAL A 84 4.222 1.647 3.698 1.00 0.00 C ATOM 1241 CG2 VAL A 84 5.592 1.147 1.640 1.00 0.00 C ATOM 0 H VAL A 84 3.697 0.134 0.238 1.00 0.00 H new ATOM 0 HA VAL A 84 2.336 2.045 2.075 1.00 0.00 H new ATOM 0 HB VAL A 84 4.729 3.030 2.155 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.151 1.794 4.250 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.451 2.301 4.105 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.904 0.609 3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.493 1.304 2.233 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.322 0.091 1.662 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.777 1.453 0.610 1.00 0.00 H new ATOM 1251 N GLY A 85 2.162 3.659 0.276 1.00 0.00 N ATOM 1252 CA GLY A 85 1.970 4.605 -0.810 1.00 0.00 C ATOM 1253 C GLY A 85 3.047 5.692 -0.786 1.00 0.00 C ATOM 1254 O GLY A 85 3.071 6.527 0.117 1.00 0.00 O ATOM 0 H GLY A 85 1.546 3.798 1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.000 4.080 -1.765 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.984 5.063 -0.729 1.00 0.00 H new ATOM 1258 N VAL A 86 3.911 5.647 -1.789 1.00 0.00 N ATOM 1259 CA VAL A 86 4.987 6.618 -1.895 1.00 0.00 C ATOM 1260 C VAL A 86 4.450 7.900 -2.534 1.00 0.00 C ATOM 1261 O VAL A 86 3.444 7.872 -3.240 1.00 0.00 O ATOM 1262 CB VAL A 86 6.163 6.014 -2.665 1.00 0.00 C ATOM 1263 CG1 VAL A 86 6.835 4.903 -1.855 1.00 0.00 C ATOM 1264 CG2 VAL A 86 5.716 5.500 -4.035 1.00 0.00 C ATOM 0 H VAL A 86 3.888 4.953 -2.536 1.00 0.00 H new ATOM 0 HA VAL A 86 5.363 6.880 -0.906 1.00 0.00 H new ATOM 0 HB VAL A 86 6.898 6.803 -2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.668 4.490 -2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.206 5.311 -0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.111 4.115 -1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.571 5.076 -4.561 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.953 4.732 -3.904 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.305 6.325 -4.617 1.00 0.00 H new ATOM 1274 N ASN A 87 5.145 8.995 -2.262 1.00 0.00 N ATOM 1275 CA ASN A 87 4.751 10.285 -2.801 1.00 0.00 C ATOM 1276 C ASN A 87 5.823 11.323 -2.464 1.00 0.00 C ATOM 1277 O ASN A 87 6.772 11.028 -1.739 1.00 0.00 O ATOM 1278 CB ASN A 87 3.429 10.756 -2.192 1.00 0.00 C ATOM 1279 CG ASN A 87 3.377 10.454 -0.693 1.00 0.00 C ATOM 1280 OD1 ASN A 87 4.189 10.920 0.089 1.00 0.00 O ATOM 1281 ND2 ASN A 87 2.380 9.649 -0.338 1.00 0.00 N ATOM 0 H ASN A 87 5.979 9.015 -1.675 1.00 0.00 H new ATOM 0 HA ASN A 87 4.633 10.178 -3.879 1.00 0.00 H new ATOM 0 HB2 ASN A 87 3.311 11.827 -2.355 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.597 10.263 -2.695 1.00 0.00 H new ATOM 0 HD21 ASN A 87 2.260 9.387 0.640 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.735 9.294 -1.044 1.00 0.00 H new ATOM 1288 N ILE A 88 5.636 12.518 -3.006 1.00 0.00 N ATOM 1289 CA ILE A 88 6.576 13.601 -2.771 1.00 0.00 C ATOM 1290 C ILE A 88 6.780 13.776 -1.265 1.00 0.00 C ATOM 1291 O ILE A 88 7.861 14.161 -0.822 1.00 0.00 O ATOM 1292 CB ILE A 88 6.112 14.875 -3.481 1.00 0.00 C ATOM 1293 CG1 ILE A 88 7.244 15.902 -3.559 1.00 0.00 C ATOM 1294 CG2 ILE A 88 4.862 15.450 -2.813 1.00 0.00 C ATOM 1295 CD1 ILE A 88 7.418 16.418 -4.988 1.00 0.00 C ATOM 0 H ILE A 88 4.848 12.760 -3.607 1.00 0.00 H new ATOM 0 HA ILE A 88 7.549 13.361 -3.199 1.00 0.00 H new ATOM 0 HB ILE A 88 5.840 14.617 -4.504 1.00 0.00 H new ATOM 0 HG12 ILE A 88 7.030 16.736 -2.891 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.175 15.450 -3.216 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.553 16.355 -3.337 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.058 14.715 -2.852 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.083 15.690 -1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.229 17.146 -5.016 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.656 15.585 -5.649 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.494 16.891 -5.319 1.00 0.00 H new ATOM 1307 N ALA A 89 5.725 13.484 -0.519 1.00 0.00 N ATOM 1308 CA ALA A 89 5.775 13.604 0.928 1.00 0.00 C ATOM 1309 C ALA A 89 6.609 12.456 1.502 1.00 0.00 C ATOM 1310 O ALA A 89 7.154 12.568 2.599 1.00 0.00 O ATOM 1311 CB ALA A 89 4.352 13.627 1.489 1.00 0.00 C ATOM 0 H ALA A 89 4.830 13.164 -0.890 1.00 0.00 H new ATOM 0 HA ALA A 89 6.255 14.539 1.219 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.390 13.717 2.575 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.811 14.477 1.073 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.840 12.703 1.219 1.00 0.00 H new ATOM 1317 N GLY A 90 6.682 11.379 0.734 1.00 0.00 N ATOM 1318 CA GLY A 90 7.440 10.212 1.153 1.00 0.00 C ATOM 1319 C GLY A 90 6.555 8.964 1.181 1.00 0.00 C ATOM 1320 O GLY A 90 5.743 8.755 0.281 1.00 0.00 O ATOM 0 H GLY A 90 6.229 11.290 -0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 90 8.276 10.054 0.472 1.00 0.00 H new ATOM 0 HA3 GLY A 90 7.863 10.385 2.143 1.00 0.00 H new ATOM 1324 N ARG A 91 6.741 8.169 2.224 1.00 0.00 N ATOM 1325 CA ARG A 91 5.970 6.948 2.381 1.00 0.00 C ATOM 1326 C ARG A 91 4.802 7.177 3.342 1.00 0.00 C ATOM 1327 O ARG A 91 4.732 8.213 4.003 1.00 0.00 O ATOM 1328 CB ARG A 91 6.843 5.809 2.912 1.00 0.00 C ATOM 1329 CG ARG A 91 7.476 6.184 4.254 1.00 0.00 C ATOM 1330 CD ARG A 91 7.157 5.136 5.323 1.00 0.00 C ATOM 1331 NE ARG A 91 7.473 5.672 6.666 1.00 0.00 N ATOM 1332 CZ ARG A 91 7.085 5.098 7.813 1.00 0.00 C ATOM 1333 NH1 ARG A 91 6.364 3.968 7.787 1.00 0.00 N ATOM 1334 NH2 ARG A 91 7.417 5.654 8.986 1.00 0.00 N ATOM 0 H ARG A 91 7.415 8.347 2.969 1.00 0.00 H new ATOM 0 HA ARG A 91 5.587 6.670 1.399 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.240 4.908 3.029 1.00 0.00 H new ATOM 0 HB3 ARG A 91 7.625 5.578 2.189 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.556 6.273 4.138 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.108 7.159 4.574 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.104 4.860 5.271 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.734 4.229 5.139 1.00 0.00 H new ATOM 0 HE ARG A 91 8.020 6.531 6.722 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.111 3.545 6.894 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.069 3.531 8.660 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.965 6.514 9.006 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.122 5.217 9.859 1.00 0.00 H new ATOM 1348 N SER A 92 3.915 6.195 3.390 1.00 0.00 N ATOM 1349 CA SER A 92 2.753 6.277 4.260 1.00 0.00 C ATOM 1350 C SER A 92 2.644 5.008 5.108 1.00 0.00 C ATOM 1351 O SER A 92 3.307 4.011 4.828 1.00 0.00 O ATOM 1352 CB SER A 92 1.472 6.486 3.450 1.00 0.00 C ATOM 1353 OG SER A 92 0.971 5.263 2.919 1.00 0.00 O ATOM 0 H SER A 92 3.977 5.338 2.841 1.00 0.00 H new ATOM 0 HA SER A 92 2.878 7.137 4.918 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.713 6.944 4.084 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.668 7.182 2.634 1.00 0.00 H new ATOM 0 HG SER A 92 0.366 5.454 2.172 1.00 0.00 H new ATOM 1359 N GLU A 93 1.802 5.087 6.128 1.00 0.00 N ATOM 1360 CA GLU A 93 1.597 3.957 7.018 1.00 0.00 C ATOM 1361 C GLU A 93 1.518 2.656 6.216 1.00 0.00 C ATOM 1362 O GLU A 93 0.753 2.559 5.258 1.00 0.00 O ATOM 1363 CB GLU A 93 0.342 4.152 7.871 1.00 0.00 C ATOM 1364 CG GLU A 93 0.609 5.118 9.027 1.00 0.00 C ATOM 1365 CD GLU A 93 0.596 4.384 10.369 1.00 0.00 C ATOM 1366 OE1 GLU A 93 1.455 3.492 10.536 1.00 0.00 O ATOM 1367 OE2 GLU A 93 -0.272 4.732 11.198 1.00 0.00 O ATOM 0 H GLU A 93 1.254 5.916 6.358 1.00 0.00 H new ATOM 0 HA GLU A 93 2.450 3.893 7.694 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.467 4.537 7.251 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.013 3.190 8.265 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.574 5.604 8.884 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.146 5.904 9.031 1.00 0.00 H new ATOM 1374 N PRO A 94 2.341 1.664 6.649 1.00 0.00 N ATOM 1375 CA PRO A 94 2.372 0.373 5.982 1.00 0.00 C ATOM 1376 C PRO A 94 1.133 -0.454 6.331 1.00 0.00 C ATOM 1377 O PRO A 94 0.854 -0.696 7.504 1.00 0.00 O ATOM 1378 CB PRO A 94 3.668 -0.275 6.440 1.00 0.00 C ATOM 1379 CG PRO A 94 4.085 0.469 7.698 1.00 0.00 C ATOM 1380 CD PRO A 94 3.260 1.743 7.780 1.00 0.00 C ATOM 0 HA PRO A 94 2.348 0.460 4.896 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.523 -1.336 6.644 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.435 -0.200 5.670 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.920 -0.150 8.580 1.00 0.00 H new ATOM 0 HG3 PRO A 94 5.149 0.704 7.668 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.720 1.805 8.725 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.892 2.629 7.715 1.00 0.00 H new ATOM 1388 N ALA A 95 0.423 -0.866 5.291 1.00 0.00 N ATOM 1389 CA ALA A 95 -0.779 -1.661 5.473 1.00 0.00 C ATOM 1390 C ALA A 95 -0.391 -3.130 5.655 1.00 0.00 C ATOM 1391 O ALA A 95 -0.904 -4.002 4.955 1.00 0.00 O ATOM 1392 CB ALA A 95 -1.717 -1.449 4.282 1.00 0.00 C ATOM 0 H ALA A 95 0.657 -0.664 4.319 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.314 -1.348 6.369 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.619 -2.046 4.419 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.986 -0.395 4.214 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.215 -1.755 3.364 1.00 0.00 H new ATOM 1398 N THR A 96 0.510 -3.358 6.598 1.00 0.00 N ATOM 1399 CA THR A 96 0.973 -4.706 6.881 1.00 0.00 C ATOM 1400 C THR A 96 -0.197 -5.691 6.838 1.00 0.00 C ATOM 1401 O THR A 96 -1.317 -5.347 7.212 1.00 0.00 O ATOM 1402 CB THR A 96 1.699 -4.684 8.227 1.00 0.00 C ATOM 1403 OG1 THR A 96 2.501 -3.507 8.170 1.00 0.00 O ATOM 1404 CG2 THR A 96 2.715 -5.820 8.363 1.00 0.00 C ATOM 0 H THR A 96 0.932 -2.632 7.177 1.00 0.00 H new ATOM 0 HA THR A 96 1.676 -5.050 6.122 1.00 0.00 H new ATOM 0 HB THR A 96 0.969 -4.751 9.034 1.00 0.00 H new ATOM 0 HG1 THR A 96 3.005 -3.414 9.005 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.202 -5.758 9.336 1.00 0.00 H new ATOM 0 HG22 THR A 96 2.203 -6.778 8.273 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.464 -5.734 7.576 1.00 0.00 H new ATOM 1412 N LEU A 97 0.103 -6.897 6.380 1.00 0.00 N ATOM 1413 CA LEU A 97 -0.910 -7.935 6.283 1.00 0.00 C ATOM 1414 C LEU A 97 -1.309 -8.384 7.690 1.00 0.00 C ATOM 1415 O LEU A 97 -0.502 -8.325 8.617 1.00 0.00 O ATOM 1416 CB LEU A 97 -0.424 -9.076 5.388 1.00 0.00 C ATOM 1417 CG LEU A 97 -0.576 -8.858 3.881 1.00 0.00 C ATOM 1418 CD1 LEU A 97 -0.282 -10.146 3.108 1.00 0.00 C ATOM 1419 CD2 LEU A 97 -1.958 -8.292 3.546 1.00 0.00 C ATOM 0 H LEU A 97 1.033 -7.179 6.072 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.809 -7.547 5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.629 -9.258 5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.966 -9.981 5.661 1.00 0.00 H new ATOM 0 HG LEU A 97 0.160 -8.118 3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.397 -9.963 2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.739 -10.468 3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.978 -10.925 3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.040 -8.146 2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.727 -8.990 3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.092 -7.336 4.053 1.00 0.00 H new ATOM 1431 N LEU A 98 -2.554 -8.823 7.805 1.00 0.00 N ATOM 1432 CA LEU A 98 -3.070 -9.282 9.084 1.00 0.00 C ATOM 1433 C LEU A 98 -2.491 -10.663 9.396 1.00 0.00 C ATOM 1434 O LEU A 98 -2.425 -11.064 10.557 1.00 0.00 O ATOM 1435 CB LEU A 98 -4.599 -9.240 9.090 1.00 0.00 C ATOM 1436 CG LEU A 98 -5.233 -7.849 9.024 1.00 0.00 C ATOM 1437 CD1 LEU A 98 -6.279 -7.775 7.910 1.00 0.00 C ATOM 1438 CD2 LEU A 98 -5.811 -7.444 10.381 1.00 0.00 C ATOM 0 H LEU A 98 -3.220 -8.871 7.034 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.753 -8.615 9.885 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.962 -9.823 8.244 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.953 -9.736 9.994 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.451 -7.129 8.780 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.714 -6.776 7.885 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.806 -7.989 6.952 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.064 -8.508 8.098 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.255 -6.452 10.306 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.575 -8.162 10.680 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.015 -7.430 11.126 1.00 0.00 H new ATOM 1450 N GLN A 99 -2.087 -11.353 8.339 1.00 0.00 N ATOM 1451 CA GLN A 99 -1.516 -12.681 8.486 1.00 0.00 C ATOM 1452 C GLN A 99 -0.380 -12.884 7.482 1.00 0.00 C ATOM 1453 O GLN A 99 -0.403 -12.319 6.390 1.00 0.00 O ATOM 1454 CB GLN A 99 -2.589 -13.760 8.326 1.00 0.00 C ATOM 1455 CG GLN A 99 -3.575 -13.731 9.496 1.00 0.00 C ATOM 1456 CD GLN A 99 -4.568 -14.891 9.404 1.00 0.00 C ATOM 1457 OE1 GLN A 99 -4.304 -15.924 8.812 1.00 0.00 O ATOM 1458 NE2 GLN A 99 -5.724 -14.663 10.022 1.00 0.00 N ATOM 0 H GLN A 99 -2.144 -11.017 7.378 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.106 -12.770 9.492 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.126 -13.608 7.390 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.117 -14.741 8.267 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -3.029 -13.788 10.438 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.115 -12.784 9.498 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.881 -13.775 10.500 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.454 -15.376 10.018 1.00 0.00 H new ATOM 1467 N PRO A 100 0.614 -13.714 7.899 1.00 0.00 N ATOM 1468 CA PRO A 100 1.757 -13.999 7.048 1.00 0.00 C ATOM 1469 C PRO A 100 1.376 -14.963 5.923 1.00 0.00 C ATOM 1470 O PRO A 100 0.261 -15.482 5.896 1.00 0.00 O ATOM 1471 CB PRO A 100 2.812 -14.566 7.984 1.00 0.00 C ATOM 1472 CG PRO A 100 2.067 -15.010 9.232 1.00 0.00 C ATOM 1473 CD PRO A 100 0.675 -14.401 9.186 1.00 0.00 C ATOM 0 HA PRO A 100 2.132 -13.113 6.536 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.334 -15.404 7.522 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.565 -13.815 8.225 1.00 0.00 H new ATOM 0 HG2 PRO A 100 2.007 -16.098 9.274 1.00 0.00 H new ATOM 0 HG3 PRO A 100 2.596 -14.686 10.128 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.096 -15.168 9.262 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.518 -13.708 10.013 1.00 0.00 H new ATOM 1481 N VAL A 101 2.324 -15.173 5.021 1.00 0.00 N ATOM 1482 CA VAL A 101 2.101 -16.066 3.896 1.00 0.00 C ATOM 1483 C VAL A 101 3.125 -17.202 3.942 1.00 0.00 C ATOM 1484 O VAL A 101 4.314 -16.964 4.149 1.00 0.00 O ATOM 1485 CB VAL A 101 2.143 -15.277 2.586 1.00 0.00 C ATOM 1486 CG1 VAL A 101 2.264 -16.216 1.384 1.00 0.00 C ATOM 1487 CG2 VAL A 101 0.918 -14.370 2.453 1.00 0.00 C ATOM 0 H VAL A 101 3.247 -14.741 5.046 1.00 0.00 H new ATOM 0 HA VAL A 101 1.111 -16.518 3.957 1.00 0.00 H new ATOM 0 HB VAL A 101 3.029 -14.642 2.605 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.292 -15.630 0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.180 -16.800 1.469 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.406 -16.888 1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.973 -13.820 1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.013 -14.977 2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.895 -13.666 3.284 1.00 0.00 H new ATOM 1497 N THR A 102 2.625 -18.414 3.747 1.00 0.00 N ATOM 1498 CA THR A 102 3.481 -19.588 3.764 1.00 0.00 C ATOM 1499 C THR A 102 4.192 -19.749 2.418 1.00 0.00 C ATOM 1500 O THR A 102 5.237 -20.393 2.337 1.00 0.00 O ATOM 1501 CB THR A 102 2.622 -20.794 4.146 1.00 0.00 C ATOM 1502 OG1 THR A 102 2.914 -21.006 5.524 1.00 0.00 O ATOM 1503 CG2 THR A 102 3.086 -22.083 3.464 1.00 0.00 C ATOM 0 H THR A 102 1.638 -18.608 3.577 1.00 0.00 H new ATOM 0 HA THR A 102 4.274 -19.489 4.505 1.00 0.00 H new ATOM 0 HB THR A 102 1.583 -20.597 3.882 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.397 -21.770 5.854 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.443 -22.908 3.769 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.032 -21.962 2.382 1.00 0.00 H new ATOM 0 HG23 THR A 102 4.114 -22.298 3.754 1.00 0.00 H new ATOM 1511 N ILE A 103 3.596 -19.154 1.396 1.00 0.00 N ATOM 1512 CA ILE A 103 4.158 -19.224 0.058 1.00 0.00 C ATOM 1513 C ILE A 103 4.077 -20.665 -0.451 1.00 0.00 C ATOM 1514 O ILE A 103 4.899 -21.503 -0.085 1.00 0.00 O ATOM 1515 CB ILE A 103 5.574 -18.645 0.041 1.00 0.00 C ATOM 1516 CG1 ILE A 103 5.596 -17.232 0.626 1.00 0.00 C ATOM 1517 CG2 ILE A 103 6.169 -18.691 -1.368 1.00 0.00 C ATOM 1518 CD1 ILE A 103 4.835 -16.254 -0.272 1.00 0.00 C ATOM 0 H ILE A 103 2.729 -18.621 1.467 1.00 0.00 H new ATOM 0 HA ILE A 103 3.578 -18.610 -0.631 1.00 0.00 H new ATOM 0 HB ILE A 103 6.204 -19.267 0.677 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.151 -17.240 1.621 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.627 -16.898 0.741 1.00 0.00 H new ATOM 0 HG21 ILE A 103 7.176 -18.273 -1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.210 -19.724 -1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.545 -18.108 -2.046 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.866 -15.257 0.167 1.00 0.00 H new ATOM 0 HD12 ILE A 103 5.298 -16.231 -1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.798 -16.577 -0.365 1.00 0.00 H new ATOM 1530 N ARG A 104 3.077 -20.908 -1.286 1.00 0.00 N ATOM 1531 CA ARG A 104 2.878 -22.233 -1.848 1.00 0.00 C ATOM 1532 C ARG A 104 1.695 -22.224 -2.819 1.00 0.00 C ATOM 1533 O ARG A 104 0.729 -21.489 -2.621 1.00 0.00 O ATOM 1534 CB ARG A 104 2.619 -23.264 -0.749 1.00 0.00 C ATOM 1535 CG ARG A 104 3.833 -24.174 -0.553 1.00 0.00 C ATOM 1536 CD ARG A 104 4.014 -24.537 0.922 1.00 0.00 C ATOM 1537 NE ARG A 104 3.905 -26.003 1.099 1.00 0.00 N ATOM 1538 CZ ARG A 104 4.828 -26.880 0.682 1.00 0.00 C ATOM 1539 NH1 ARG A 104 5.933 -26.446 0.060 1.00 0.00 N ATOM 1540 NH2 ARG A 104 4.646 -28.192 0.885 1.00 0.00 N ATOM 0 H ARG A 104 2.396 -20.210 -1.587 1.00 0.00 H new ATOM 0 HA ARG A 104 3.788 -22.508 -2.381 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.388 -22.754 0.186 1.00 0.00 H new ATOM 0 HB3 ARG A 104 1.747 -23.865 -1.008 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.710 -25.083 -1.142 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.729 -23.675 -0.921 1.00 0.00 H new ATOM 0 HD2 ARG A 104 4.986 -24.191 1.274 1.00 0.00 H new ATOM 0 HD3 ARG A 104 3.259 -24.032 1.525 1.00 0.00 H new ATOM 0 HE ARG A 104 3.076 -26.368 1.568 1.00 0.00 H new ATOM 0 HH11 ARG A 104 6.072 -25.448 -0.096 1.00 0.00 H new ATOM 0 HH12 ARG A 104 6.635 -27.114 -0.257 1.00 0.00 H new ATOM 0 HH21 ARG A 104 3.805 -28.523 1.357 1.00 0.00 H new ATOM 0 HH22 ARG A 104 5.349 -28.860 0.567 1.00 0.00 H new ATOM 1554 N GLU A 105 1.810 -23.051 -3.849 1.00 0.00 N ATOM 1555 CA GLU A 105 0.763 -23.148 -4.851 1.00 0.00 C ATOM 1556 C GLU A 105 -0.133 -24.355 -4.567 1.00 0.00 C ATOM 1557 O GLU A 105 0.303 -25.325 -3.949 1.00 0.00 O ATOM 1558 CB GLU A 105 1.356 -23.225 -6.259 1.00 0.00 C ATOM 1559 CG GLU A 105 0.422 -22.579 -7.284 1.00 0.00 C ATOM 1560 CD GLU A 105 0.756 -23.047 -8.702 1.00 0.00 C ATOM 1561 OE1 GLU A 105 0.229 -24.113 -9.086 1.00 0.00 O ATOM 1562 OE2 GLU A 105 1.531 -22.328 -9.369 1.00 0.00 O ATOM 0 H GLU A 105 2.613 -23.660 -4.010 1.00 0.00 H new ATOM 0 HA GLU A 105 0.153 -22.246 -4.799 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.324 -22.724 -6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.531 -24.267 -6.527 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.612 -22.831 -7.048 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.507 -21.494 -7.226 1.00 0.00 H new ATOM 1569 N SER A 106 -1.370 -24.256 -5.033 1.00 0.00 N ATOM 1570 CA SER A 106 -2.331 -25.328 -4.836 1.00 0.00 C ATOM 1571 C SER A 106 -3.553 -25.105 -5.729 1.00 0.00 C ATOM 1572 O SER A 106 -4.538 -24.504 -5.301 1.00 0.00 O ATOM 1573 CB SER A 106 -2.756 -25.426 -3.370 1.00 0.00 C ATOM 1574 OG SER A 106 -3.364 -24.222 -2.909 1.00 0.00 O ATOM 0 H SER A 106 -1.728 -23.450 -5.546 1.00 0.00 H new ATOM 0 HA SER A 106 -1.854 -26.269 -5.111 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.454 -26.254 -3.250 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.885 -25.651 -2.754 1.00 0.00 H new ATOM 0 HG SER A 106 -4.059 -23.944 -3.541 1.00 0.00 H new ATOM 1580 N GLY A 107 -3.451 -25.600 -6.954 1.00 0.00 N ATOM 1581 CA GLY A 107 -4.535 -25.462 -7.910 1.00 0.00 C ATOM 1582 C GLY A 107 -4.118 -25.973 -9.291 1.00 0.00 C ATOM 1583 O GLY A 107 -3.073 -25.583 -9.811 1.00 0.00 O ATOM 0 H GLY A 107 -2.633 -26.098 -7.306 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -5.405 -26.017 -7.561 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -4.832 -24.415 -7.980 1.00 0.00 H new ATOM 1587 N PRO A 108 -4.977 -26.861 -9.859 1.00 0.00 N ATOM 1588 CA PRO A 108 -4.708 -27.429 -11.169 1.00 0.00 C ATOM 1589 C PRO A 108 -4.976 -26.407 -12.276 1.00 0.00 C ATOM 1590 O PRO A 108 -5.883 -25.584 -12.159 1.00 0.00 O ATOM 1591 CB PRO A 108 -5.605 -28.652 -11.259 1.00 0.00 C ATOM 1592 CG PRO A 108 -6.677 -28.462 -10.198 1.00 0.00 C ATOM 1593 CD PRO A 108 -6.223 -27.345 -9.272 1.00 0.00 C ATOM 0 HA PRO A 108 -3.663 -27.708 -11.300 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -6.048 -28.739 -12.251 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -5.038 -29.566 -11.082 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -7.631 -28.210 -10.660 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.828 -29.385 -9.638 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -6.968 -26.551 -9.214 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.067 -27.711 -8.257 1.00 0.00 H new ATOM 1601 N SER A 109 -4.172 -26.493 -13.325 1.00 0.00 N ATOM 1602 CA SER A 109 -4.311 -25.587 -14.452 1.00 0.00 C ATOM 1603 C SER A 109 -5.236 -26.199 -15.505 1.00 0.00 C ATOM 1604 O SER A 109 -5.185 -27.402 -15.757 1.00 0.00 O ATOM 1605 CB SER A 109 -2.949 -25.260 -15.067 1.00 0.00 C ATOM 1606 OG SER A 109 -2.181 -24.394 -14.235 1.00 0.00 O ATOM 0 H SER A 109 -3.421 -27.177 -13.418 1.00 0.00 H new ATOM 0 HA SER A 109 -4.749 -24.657 -14.091 1.00 0.00 H new ATOM 0 HB2 SER A 109 -2.396 -26.184 -15.236 1.00 0.00 H new ATOM 0 HB3 SER A 109 -3.094 -24.792 -16.041 1.00 0.00 H new ATOM 0 HG SER A 109 -1.318 -24.211 -14.662 1.00 0.00 H new ATOM 1612 N SER A 110 -6.061 -25.344 -16.091 1.00 0.00 N ATOM 1613 CA SER A 110 -6.996 -25.786 -17.111 1.00 0.00 C ATOM 1614 C SER A 110 -7.378 -24.612 -18.016 1.00 0.00 C ATOM 1615 O SER A 110 -7.396 -23.464 -17.574 1.00 0.00 O ATOM 1616 CB SER A 110 -8.248 -26.399 -16.482 1.00 0.00 C ATOM 1617 OG SER A 110 -8.542 -27.685 -17.022 1.00 0.00 O ATOM 0 H SER A 110 -6.101 -24.347 -15.879 1.00 0.00 H new ATOM 0 HA SER A 110 -6.509 -26.555 -17.710 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.109 -26.482 -15.404 1.00 0.00 H new ATOM 0 HB3 SER A 110 -9.097 -25.735 -16.644 1.00 0.00 H new ATOM 0 HG SER A 110 -9.347 -28.043 -16.593 1.00 0.00 H new ATOM 1623 N GLY A 111 -7.673 -24.940 -19.265 1.00 0.00 N ATOM 1624 CA GLY A 111 -8.053 -23.927 -20.235 1.00 0.00 C ATOM 1625 C GLY A 111 -9.501 -23.480 -20.023 1.00 0.00 C ATOM 1626 O GLY A 111 -9.911 -22.436 -20.525 1.00 0.00 O ATOM 0 H GLY A 111 -7.657 -25.893 -19.628 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -7.387 -23.068 -20.149 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -7.935 -24.322 -21.244 1.00 0.00 H new TER 1630 GLY A 111