USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 716 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 18 GLN : amide:sc= 0 X(o=-0.12,f=-0.15) USER MOD Set 1.2: A 77 TYR OH : rot 130:sc= -0.123 USER MOD Set 2.1: A 65 GLN :FLIP amide:sc= 0.776 F(o=-4.4,f=1.7) USER MOD Set 2.2: A 67 LYS NZ :NH3+ -134:sc= 0.908 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 147:sc= 0.00597 (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 13 GLN : amide:sc= -1.26 K(o=-1.3,f=-5.2!) USER MOD Single : A 17 ASN : amide:sc= -0.94 X(o=-0.94,f=-1) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -40:sc= 0.114 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -161:sc= 0.471 (180deg=-0.343) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 59 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.017) USER MOD Single : A 61 GLN : amide:sc= -0.0182 K(o=-0.018,f=-1.3) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc=-0.00545 X(o=-0.0055,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 104:sc= 0.121 USER MOD Single : A 76 THR OG1 : rot -11:sc= -1.63! USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0116 USER MOD Single : A 83 SER OG : rot 180:sc= -0.668 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -174:sc= 0.193 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -170:sc= -0.0833 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.699 21.702 -3.497 1.00 0.00 N ATOM 2 CA GLY A 1 21.129 21.808 -2.115 1.00 0.00 C ATOM 3 C GLY A 1 20.724 23.124 -1.481 1.00 0.00 C ATOM 4 O GLY A 1 20.779 24.173 -2.123 1.00 0.00 O ATOM 0 H1 GLY A 1 21.395 21.148 -4.036 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.774 21.229 -3.537 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.620 22.653 -3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.703 20.985 -1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.213 21.703 -2.066 1.00 0.00 H new ATOM 8 N SER A 2 20.315 23.070 -0.218 1.00 0.00 N ATOM 9 CA SER A 2 19.893 24.266 0.502 1.00 0.00 C ATOM 10 C SER A 2 20.300 24.188 1.970 1.00 0.00 C ATOM 11 O SER A 2 20.159 23.147 2.610 1.00 0.00 O ATOM 12 CB SER A 2 18.378 24.447 0.389 1.00 0.00 C ATOM 13 OG SER A 2 17.984 24.620 -0.961 1.00 0.00 O ATOM 0 H SER A 2 20.267 22.210 0.329 1.00 0.00 H new ATOM 0 HA SER A 2 20.389 25.126 0.051 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.872 23.578 0.810 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.067 25.312 0.975 1.00 0.00 H new ATOM 0 HG SER A 2 17.011 24.732 -1.006 1.00 0.00 H new ATOM 19 N SER A 3 20.806 25.299 2.497 1.00 0.00 N ATOM 20 CA SER A 3 21.238 25.357 3.889 1.00 0.00 C ATOM 21 C SER A 3 20.087 25.010 4.829 1.00 0.00 C ATOM 22 O SER A 3 19.269 25.864 5.169 1.00 0.00 O ATOM 23 CB SER A 3 21.779 26.750 4.219 1.00 0.00 C ATOM 24 OG SER A 3 23.066 26.943 3.658 1.00 0.00 O ATOM 0 H SER A 3 20.927 26.171 1.981 1.00 0.00 H new ATOM 0 HA SER A 3 22.032 24.624 4.029 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.095 27.509 3.838 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.827 26.878 5.300 1.00 0.00 H new ATOM 0 HG SER A 3 23.389 27.841 3.881 1.00 0.00 H new ATOM 30 N GLY A 4 20.032 23.749 5.246 1.00 0.00 N ATOM 31 CA GLY A 4 18.979 23.309 6.142 1.00 0.00 C ATOM 32 C GLY A 4 18.705 21.823 6.030 1.00 0.00 C ATOM 33 O GLY A 4 19.425 21.102 5.339 1.00 0.00 O ATOM 0 H GLY A 4 20.698 23.024 4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.257 23.548 7.169 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.065 23.861 5.922 1.00 0.00 H new ATOM 37 N SER A 5 17.661 21.362 6.712 1.00 0.00 N ATOM 38 CA SER A 5 17.296 19.950 6.690 1.00 0.00 C ATOM 39 C SER A 5 15.841 19.771 6.267 1.00 0.00 C ATOM 40 O SER A 5 15.137 18.902 6.780 1.00 0.00 O ATOM 41 CB SER A 5 17.520 19.322 8.067 1.00 0.00 C ATOM 42 OG SER A 5 16.600 19.834 9.016 1.00 0.00 O ATOM 0 H SER A 5 17.053 21.946 7.287 1.00 0.00 H new ATOM 0 HA SER A 5 17.932 19.447 5.962 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.412 18.240 7.999 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.539 19.521 8.400 1.00 0.00 H new ATOM 0 HG SER A 5 16.762 19.416 9.887 1.00 0.00 H new ATOM 48 N SER A 6 15.399 20.601 5.328 1.00 0.00 N ATOM 49 CA SER A 6 14.027 20.538 4.838 1.00 0.00 C ATOM 50 C SER A 6 13.999 20.316 3.328 1.00 0.00 C ATOM 51 O SER A 6 14.940 20.671 2.620 1.00 0.00 O ATOM 52 CB SER A 6 13.278 21.825 5.189 1.00 0.00 C ATOM 53 OG SER A 6 13.248 22.031 6.591 1.00 0.00 O ATOM 0 H SER A 6 15.970 21.324 4.892 1.00 0.00 H new ATOM 0 HA SER A 6 13.533 19.695 5.321 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.760 22.674 4.704 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.260 21.773 4.804 1.00 0.00 H new ATOM 0 HG SER A 6 12.765 22.861 6.790 1.00 0.00 H new ATOM 59 N GLY A 7 12.911 19.725 2.843 1.00 0.00 N ATOM 60 CA GLY A 7 12.779 19.465 1.422 1.00 0.00 C ATOM 61 C GLY A 7 11.465 18.793 1.074 1.00 0.00 C ATOM 62 O GLY A 7 10.495 18.852 1.829 1.00 0.00 O ATOM 0 H GLY A 7 12.119 19.422 3.409 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.859 20.404 0.875 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.604 18.834 1.093 1.00 0.00 H new ATOM 66 N PRO A 8 11.423 18.137 -0.095 1.00 0.00 N ATOM 67 CA PRO A 8 10.223 17.440 -0.568 1.00 0.00 C ATOM 68 C PRO A 8 9.915 16.193 0.255 1.00 0.00 C ATOM 69 O PRO A 8 10.732 15.726 1.049 1.00 0.00 O ATOM 70 CB PRO A 8 10.580 17.056 -2.006 1.00 0.00 C ATOM 71 CG PRO A 8 12.068 16.985 -2.021 1.00 0.00 C ATOM 72 CD PRO A 8 12.542 18.025 -1.045 1.00 0.00 C ATOM 0 HA PRO A 8 9.332 18.062 -0.487 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.135 16.100 -2.282 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.212 17.796 -2.716 1.00 0.00 H new ATOM 0 HG2 PRO A 8 12.414 15.993 -1.732 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.458 17.181 -3.020 1.00 0.00 H new ATOM 0 HD2 PRO A 8 13.462 17.719 -0.547 1.00 0.00 H new ATOM 0 HD3 PRO A 8 12.747 18.975 -1.538 1.00 0.00 H new ATOM 80 N PRO A 9 8.709 15.639 0.063 1.00 0.00 N ATOM 81 CA PRO A 9 8.266 14.439 0.777 1.00 0.00 C ATOM 82 C PRO A 9 9.019 13.189 0.333 1.00 0.00 C ATOM 83 O PRO A 9 8.912 12.765 -0.818 1.00 0.00 O ATOM 84 CB PRO A 9 6.785 14.331 0.406 1.00 0.00 C ATOM 85 CG PRO A 9 6.671 15.033 -0.903 1.00 0.00 C ATOM 86 CD PRO A 9 7.684 16.143 -0.868 1.00 0.00 C ATOM 0 HA PRO A 9 8.446 14.513 1.849 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.472 13.290 0.326 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.152 14.797 1.162 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.868 14.351 -1.730 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.665 15.427 -1.048 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.100 16.339 -1.856 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.245 17.077 -0.516 1.00 0.00 H new ATOM 94 N ILE A 10 9.779 12.604 1.253 1.00 0.00 N ATOM 95 CA ILE A 10 10.548 11.402 0.956 1.00 0.00 C ATOM 96 C ILE A 10 9.964 10.186 1.667 1.00 0.00 C ATOM 97 O ILE A 10 9.318 10.314 2.708 1.00 0.00 O ATOM 98 CB ILE A 10 12.024 11.562 1.365 1.00 0.00 C ATOM 99 CG1 ILE A 10 12.754 12.474 0.376 1.00 0.00 C ATOM 100 CG2 ILE A 10 12.703 10.203 1.441 1.00 0.00 C ATOM 101 CD1 ILE A 10 12.926 11.862 -0.996 1.00 0.00 C ATOM 0 H ILE A 10 9.879 12.943 2.210 1.00 0.00 H new ATOM 0 HA ILE A 10 10.493 11.251 -0.122 1.00 0.00 H new ATOM 0 HB ILE A 10 12.064 12.022 2.352 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.202 13.409 0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.735 12.723 0.780 1.00 0.00 H new ATOM 0 HG21 ILE A 10 13.746 10.333 1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 10 12.195 9.583 2.180 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.656 9.718 0.466 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.451 12.564 -1.644 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.504 10.942 -0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.947 11.639 -1.420 1.00 0.00 H new ATOM 113 N ILE A 11 10.197 9.007 1.100 1.00 0.00 N ATOM 114 CA ILE A 11 9.697 7.768 1.681 1.00 0.00 C ATOM 115 C ILE A 11 10.801 7.024 2.424 1.00 0.00 C ATOM 116 O ILE A 11 11.470 6.158 1.859 1.00 0.00 O ATOM 117 CB ILE A 11 9.103 6.840 0.605 1.00 0.00 C ATOM 118 CG1 ILE A 11 7.756 7.381 0.121 1.00 0.00 C ATOM 119 CG2 ILE A 11 8.949 5.428 1.149 1.00 0.00 C ATOM 120 CD1 ILE A 11 7.264 6.729 -1.152 1.00 0.00 C ATOM 0 H ILE A 11 10.729 8.884 0.239 1.00 0.00 H new ATOM 0 HA ILE A 11 8.911 8.045 2.384 1.00 0.00 H new ATOM 0 HB ILE A 11 9.786 6.808 -0.244 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.013 7.235 0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.842 8.455 -0.041 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.528 4.784 0.377 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.925 5.045 1.448 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.284 5.441 2.012 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.305 7.162 -1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.988 6.897 -1.950 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.145 5.658 -0.990 1.00 0.00 H new ATOM 132 N LEU A 12 10.987 7.367 3.694 1.00 0.00 N ATOM 133 CA LEU A 12 12.010 6.730 4.517 1.00 0.00 C ATOM 134 C LEU A 12 11.987 5.215 4.338 1.00 0.00 C ATOM 135 O LEU A 12 13.032 4.583 4.189 1.00 0.00 O ATOM 136 CB LEU A 12 11.800 7.084 5.990 1.00 0.00 C ATOM 137 CG LEU A 12 11.774 8.576 6.324 1.00 0.00 C ATOM 138 CD1 LEU A 12 11.100 8.810 7.668 1.00 0.00 C ATOM 139 CD2 LEU A 12 13.184 9.147 6.326 1.00 0.00 C ATOM 0 H LEU A 12 10.443 8.082 4.176 1.00 0.00 H new ATOM 0 HA LEU A 12 12.983 7.101 4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.859 6.642 6.319 1.00 0.00 H new ATOM 0 HB3 LEU A 12 12.593 6.615 6.572 1.00 0.00 H new ATOM 0 HG LEU A 12 11.197 9.091 5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.091 9.877 7.889 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.076 8.438 7.631 1.00 0.00 H new ATOM 0 HD13 LEU A 12 11.650 8.283 8.448 1.00 0.00 H new ATOM 0 HD21 LEU A 12 13.146 10.210 6.566 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.786 8.628 7.072 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.632 9.013 5.342 1.00 0.00 H new ATOM 151 N GLN A 13 10.789 4.641 4.352 1.00 0.00 N ATOM 152 CA GLN A 13 10.631 3.200 4.190 1.00 0.00 C ATOM 153 C GLN A 13 9.264 2.865 3.602 1.00 0.00 C ATOM 154 O GLN A 13 8.245 2.955 4.284 1.00 0.00 O ATOM 155 CB GLN A 13 10.808 2.492 5.534 1.00 0.00 C ATOM 156 CG GLN A 13 10.859 0.977 5.422 1.00 0.00 C ATOM 157 CD GLN A 13 9.489 0.337 5.524 1.00 0.00 C ATOM 158 OE1 GLN A 13 8.510 0.993 5.883 1.00 0.00 O ATOM 159 NE2 GLN A 13 9.411 -0.950 5.207 1.00 0.00 N ATOM 0 H GLN A 13 9.914 5.151 4.474 1.00 0.00 H new ATOM 0 HA GLN A 13 11.399 2.851 3.500 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.727 2.844 6.002 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.986 2.772 6.193 1.00 0.00 H new ATOM 0 HG2 GLN A 13 11.314 0.702 4.470 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.501 0.580 6.209 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.248 -1.455 4.915 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.514 -1.434 5.256 1.00 0.00 H new ATOM 168 N GLY A 14 9.252 2.479 2.329 1.00 0.00 N ATOM 169 CA GLY A 14 8.005 2.136 1.670 1.00 0.00 C ATOM 170 C GLY A 14 7.706 0.652 1.730 1.00 0.00 C ATOM 171 O GLY A 14 8.309 -0.094 2.502 1.00 0.00 O ATOM 0 H GLY A 14 10.083 2.398 1.743 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.188 2.687 2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.049 2.453 0.628 1.00 0.00 H new ATOM 175 N PRO A 15 6.752 0.202 0.901 1.00 0.00 N ATOM 176 CA PRO A 15 6.352 -1.207 0.845 1.00 0.00 C ATOM 177 C PRO A 15 7.434 -2.093 0.239 1.00 0.00 C ATOM 178 O PRO A 15 8.584 -1.679 0.102 1.00 0.00 O ATOM 179 CB PRO A 15 5.111 -1.187 -0.052 1.00 0.00 C ATOM 180 CG PRO A 15 5.277 0.026 -0.901 1.00 0.00 C ATOM 181 CD PRO A 15 5.992 1.035 -0.046 1.00 0.00 C ATOM 0 HA PRO A 15 6.171 -1.620 1.837 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.047 -2.090 -0.660 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.196 -1.135 0.539 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.852 -0.202 -1.799 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.310 0.408 -1.229 1.00 0.00 H new ATOM 0 HD2 PRO A 15 6.649 1.671 -0.639 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.292 1.693 0.469 1.00 0.00 H new ATOM 189 N ALA A 16 7.057 -3.315 -0.124 1.00 0.00 N ATOM 190 CA ALA A 16 7.995 -4.259 -0.718 1.00 0.00 C ATOM 191 C ALA A 16 7.272 -5.496 -1.242 1.00 0.00 C ATOM 192 O ALA A 16 6.079 -5.675 -1.004 1.00 0.00 O ATOM 193 CB ALA A 16 9.058 -4.657 0.296 1.00 0.00 C ATOM 0 H ALA A 16 6.108 -3.674 -0.017 1.00 0.00 H new ATOM 0 HA ALA A 16 8.479 -3.768 -1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.752 -5.362 -0.162 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.603 -3.770 0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.582 -5.124 1.158 1.00 0.00 H new ATOM 199 N ASN A 17 8.004 -6.345 -1.956 1.00 0.00 N ATOM 200 CA ASN A 17 7.431 -7.564 -2.515 1.00 0.00 C ATOM 201 C ASN A 17 7.103 -8.566 -1.412 1.00 0.00 C ATOM 202 O ASN A 17 7.995 -9.056 -0.720 1.00 0.00 O ATOM 203 CB ASN A 17 8.399 -8.194 -3.519 1.00 0.00 C ATOM 204 CG ASN A 17 9.803 -8.330 -2.961 1.00 0.00 C ATOM 205 OD1 ASN A 17 10.085 -9.234 -2.174 1.00 0.00 O ATOM 206 ND2 ASN A 17 10.691 -7.430 -3.368 1.00 0.00 N ATOM 0 H ASN A 17 8.994 -6.211 -2.161 1.00 0.00 H new ATOM 0 HA ASN A 17 6.507 -7.299 -3.028 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.029 -9.178 -3.808 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.428 -7.586 -4.423 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.651 -7.471 -3.027 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.412 -6.698 -4.021 1.00 0.00 H new ATOM 213 N GLN A 18 5.817 -8.866 -1.255 1.00 0.00 N ATOM 214 CA GLN A 18 5.372 -9.809 -0.237 1.00 0.00 C ATOM 215 C GLN A 18 4.383 -10.813 -0.820 1.00 0.00 C ATOM 216 O GLN A 18 3.597 -10.482 -1.709 1.00 0.00 O ATOM 217 CB GLN A 18 4.729 -9.062 0.933 1.00 0.00 C ATOM 218 CG GLN A 18 3.869 -7.884 0.505 1.00 0.00 C ATOM 219 CD GLN A 18 3.440 -7.019 1.673 1.00 0.00 C ATOM 220 OE1 GLN A 18 3.045 -7.525 2.724 1.00 0.00 O ATOM 221 NE2 GLN A 18 3.517 -5.705 1.496 1.00 0.00 N ATOM 0 H GLN A 18 5.066 -8.469 -1.820 1.00 0.00 H new ATOM 0 HA GLN A 18 6.244 -10.354 0.124 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.117 -9.759 1.505 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.514 -8.705 1.600 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.424 -7.275 -0.209 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.984 -8.254 -0.012 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.850 -5.329 0.608 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.243 -5.072 2.248 1.00 0.00 H new ATOM 230 N THR A 19 4.426 -12.041 -0.314 1.00 0.00 N ATOM 231 CA THR A 19 3.535 -13.094 -0.785 1.00 0.00 C ATOM 232 C THR A 19 2.622 -13.583 0.333 1.00 0.00 C ATOM 233 O THR A 19 3.047 -14.332 1.214 1.00 0.00 O ATOM 234 CB THR A 19 4.327 -14.290 -1.346 1.00 0.00 C ATOM 235 OG1 THR A 19 5.229 -13.846 -2.366 1.00 0.00 O ATOM 236 CG2 THR A 19 3.387 -15.342 -1.916 1.00 0.00 C ATOM 0 H THR A 19 5.069 -12.331 0.423 1.00 0.00 H new ATOM 0 HA THR A 19 2.929 -12.663 -1.582 1.00 0.00 H new ATOM 0 HB THR A 19 4.894 -14.736 -0.529 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.730 -14.612 -2.716 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.969 -16.177 -2.306 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.722 -15.699 -1.130 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.796 -14.904 -2.721 1.00 0.00 H new ATOM 244 N LEU A 20 1.365 -13.156 0.293 1.00 0.00 N ATOM 245 CA LEU A 20 0.389 -13.552 1.303 1.00 0.00 C ATOM 246 C LEU A 20 -0.628 -14.530 0.724 1.00 0.00 C ATOM 247 O LEU A 20 -0.553 -14.897 -0.448 1.00 0.00 O ATOM 248 CB LEU A 20 -0.328 -12.320 1.857 1.00 0.00 C ATOM 249 CG LEU A 20 0.570 -11.187 2.355 1.00 0.00 C ATOM 250 CD1 LEU A 20 -0.262 -9.969 2.725 1.00 0.00 C ATOM 251 CD2 LEU A 20 1.402 -11.648 3.543 1.00 0.00 C ATOM 0 H LEU A 20 0.997 -12.535 -0.428 1.00 0.00 H new ATOM 0 HA LEU A 20 0.922 -14.050 2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.981 -11.924 1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.969 -12.637 2.680 1.00 0.00 H new ATOM 0 HG LEU A 20 1.248 -10.907 1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.394 -9.173 3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.812 -9.625 1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.965 -10.235 3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.035 -10.829 3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.741 -11.957 4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.027 -12.489 3.245 1.00 0.00 H new ATOM 263 N ALA A 21 -1.580 -14.945 1.554 1.00 0.00 N ATOM 264 CA ALA A 21 -2.615 -15.877 1.124 1.00 0.00 C ATOM 265 C ALA A 21 -3.870 -15.135 0.677 1.00 0.00 C ATOM 266 O ALA A 21 -3.947 -13.910 0.774 1.00 0.00 O ATOM 267 CB ALA A 21 -2.946 -16.852 2.244 1.00 0.00 C ATOM 0 H ALA A 21 -1.656 -14.650 2.528 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.233 -16.438 0.271 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.720 -17.542 1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.052 -17.414 2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.304 -16.300 3.113 1.00 0.00 H new ATOM 273 N VAL A 22 -4.852 -15.884 0.186 1.00 0.00 N ATOM 274 CA VAL A 22 -6.104 -15.297 -0.276 1.00 0.00 C ATOM 275 C VAL A 22 -7.165 -15.336 0.818 1.00 0.00 C ATOM 276 O VAL A 22 -7.196 -16.256 1.635 1.00 0.00 O ATOM 277 CB VAL A 22 -6.640 -16.027 -1.522 1.00 0.00 C ATOM 278 CG1 VAL A 22 -6.978 -17.472 -1.191 1.00 0.00 C ATOM 279 CG2 VAL A 22 -7.854 -15.302 -2.082 1.00 0.00 C ATOM 0 H VAL A 22 -4.805 -16.899 0.098 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.891 -14.260 -0.535 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.861 -16.027 -2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.355 -17.971 -2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.082 -17.984 -0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.740 -17.498 -0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.220 -15.831 -2.962 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.639 -15.269 -1.326 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.575 -14.286 -2.360 1.00 0.00 H new ATOM 289 N ASP A 23 -8.034 -14.331 0.827 1.00 0.00 N ATOM 290 CA ASP A 23 -9.099 -14.251 1.820 1.00 0.00 C ATOM 291 C ASP A 23 -8.528 -13.984 3.209 1.00 0.00 C ATOM 292 O ASP A 23 -9.033 -14.496 4.207 1.00 0.00 O ATOM 293 CB ASP A 23 -9.916 -15.544 1.830 1.00 0.00 C ATOM 294 CG ASP A 23 -11.221 -15.399 2.586 1.00 0.00 C ATOM 295 OD1 ASP A 23 -11.215 -15.584 3.821 1.00 0.00 O ATOM 296 OD2 ASP A 23 -12.249 -15.100 1.943 1.00 0.00 O ATOM 0 H ASP A 23 -8.022 -13.561 0.158 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.752 -13.421 1.550 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.126 -15.846 0.804 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.325 -16.340 2.282 1.00 0.00 H new ATOM 301 N GLY A 24 -7.471 -13.180 3.265 1.00 0.00 N ATOM 302 CA GLY A 24 -6.848 -12.861 4.536 1.00 0.00 C ATOM 303 C GLY A 24 -6.762 -11.368 4.781 1.00 0.00 C ATOM 304 O GLY A 24 -7.783 -10.688 4.889 1.00 0.00 O ATOM 0 H GLY A 24 -7.035 -12.744 2.453 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.415 -13.326 5.342 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.846 -13.289 4.563 1.00 0.00 H new ATOM 308 N THR A 25 -5.539 -10.854 4.870 1.00 0.00 N ATOM 309 CA THR A 25 -5.323 -9.432 5.107 1.00 0.00 C ATOM 310 C THR A 25 -3.923 -9.009 4.678 1.00 0.00 C ATOM 311 O THR A 25 -2.927 -9.564 5.142 1.00 0.00 O ATOM 312 CB THR A 25 -5.523 -9.073 6.592 1.00 0.00 C ATOM 313 OG1 THR A 25 -6.609 -9.830 7.137 1.00 0.00 O ATOM 314 CG2 THR A 25 -5.801 -7.586 6.756 1.00 0.00 C ATOM 0 H THR A 25 -4.683 -11.402 4.781 1.00 0.00 H new ATOM 0 HA THR A 25 -6.060 -8.897 4.509 1.00 0.00 H new ATOM 0 HB THR A 25 -4.606 -9.316 7.129 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.332 -9.887 6.477 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.939 -7.356 7.812 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.959 -7.013 6.367 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.704 -7.322 6.206 1.00 0.00 H new ATOM 322 N ALA A 26 -3.854 -8.024 3.789 1.00 0.00 N ATOM 323 CA ALA A 26 -2.575 -7.525 3.299 1.00 0.00 C ATOM 324 C ALA A 26 -2.212 -6.200 3.961 1.00 0.00 C ATOM 325 O ALA A 26 -2.868 -5.182 3.735 1.00 0.00 O ATOM 326 CB ALA A 26 -2.613 -7.369 1.786 1.00 0.00 C ATOM 0 H ALA A 26 -4.669 -7.556 3.393 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.806 -8.253 3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.651 -6.996 1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.817 -8.336 1.326 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.398 -6.664 1.513 1.00 0.00 H new ATOM 332 N LEU A 27 -1.166 -6.219 4.779 1.00 0.00 N ATOM 333 CA LEU A 27 -0.716 -5.018 5.474 1.00 0.00 C ATOM 334 C LEU A 27 0.518 -4.428 4.800 1.00 0.00 C ATOM 335 O LEU A 27 1.584 -5.044 4.784 1.00 0.00 O ATOM 336 CB LEU A 27 -0.408 -5.338 6.938 1.00 0.00 C ATOM 337 CG LEU A 27 -1.595 -5.291 7.900 1.00 0.00 C ATOM 338 CD1 LEU A 27 -2.265 -3.927 7.855 1.00 0.00 C ATOM 339 CD2 LEU A 27 -2.594 -6.390 7.568 1.00 0.00 C ATOM 0 H LEU A 27 -0.613 -7.053 4.978 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.518 -4.281 5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.034 -6.333 6.986 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.348 -4.636 7.291 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.225 -5.457 8.912 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.108 -3.913 8.546 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.547 -3.159 8.142 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.622 -3.730 6.844 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.432 -6.342 8.263 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.958 -6.255 6.550 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.108 -7.362 7.653 1.00 0.00 H new ATOM 351 N LEU A 28 0.366 -3.230 4.245 1.00 0.00 N ATOM 352 CA LEU A 28 1.470 -2.554 3.571 1.00 0.00 C ATOM 353 C LEU A 28 2.117 -1.521 4.487 1.00 0.00 C ATOM 354 O LEU A 28 1.434 -0.835 5.248 1.00 0.00 O ATOM 355 CB LEU A 28 0.974 -1.878 2.291 1.00 0.00 C ATOM 356 CG LEU A 28 1.016 -2.730 1.022 1.00 0.00 C ATOM 357 CD1 LEU A 28 -0.163 -3.689 0.983 1.00 0.00 C ATOM 358 CD2 LEU A 28 1.027 -1.844 -0.215 1.00 0.00 C ATOM 0 H LEU A 28 -0.510 -2.707 4.248 1.00 0.00 H new ATOM 0 HA LEU A 28 2.219 -3.303 3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.053 -1.551 2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.571 -0.982 2.123 1.00 0.00 H new ATOM 0 HG LEU A 28 1.934 -3.317 1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.116 -4.287 0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.126 -4.347 1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.094 -3.122 0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.057 -2.467 -1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.126 -1.230 -0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.905 -1.199 -0.193 1.00 0.00 H new ATOM 370 N LYS A 29 3.439 -1.413 4.408 1.00 0.00 N ATOM 371 CA LYS A 29 4.180 -0.462 5.227 1.00 0.00 C ATOM 372 C LYS A 29 4.706 0.692 4.379 1.00 0.00 C ATOM 373 O LYS A 29 5.419 0.481 3.398 1.00 0.00 O ATOM 374 CB LYS A 29 5.344 -1.162 5.932 1.00 0.00 C ATOM 375 CG LYS A 29 4.933 -1.910 7.188 1.00 0.00 C ATOM 376 CD LYS A 29 4.333 -3.266 6.858 1.00 0.00 C ATOM 377 CE LYS A 29 3.325 -3.700 7.911 1.00 0.00 C ATOM 378 NZ LYS A 29 3.991 -4.186 9.151 1.00 0.00 N ATOM 0 H LYS A 29 4.020 -1.973 3.784 1.00 0.00 H new ATOM 0 HA LYS A 29 3.499 -0.059 5.977 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.810 -1.862 5.238 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.099 -0.420 6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.801 -2.043 7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.208 -1.316 7.745 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.847 -3.223 5.883 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.127 -4.009 6.785 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.671 -2.863 8.155 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.693 -4.490 7.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.270 -4.472 9.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.595 -5.001 8.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.574 -3.424 9.553 1.00 0.00 H new ATOM 392 N CYS A 30 4.350 1.913 4.764 1.00 0.00 N ATOM 393 CA CYS A 30 4.786 3.101 4.040 1.00 0.00 C ATOM 394 C CYS A 30 4.931 4.291 4.985 1.00 0.00 C ATOM 395 O CYS A 30 3.980 4.677 5.666 1.00 0.00 O ATOM 396 CB CYS A 30 3.794 3.438 2.926 1.00 0.00 C ATOM 397 SG CYS A 30 4.541 4.286 1.496 1.00 0.00 S ATOM 0 H CYS A 30 3.760 2.106 5.574 1.00 0.00 H new ATOM 0 HA CYS A 30 5.760 2.890 3.598 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.323 2.517 2.583 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.004 4.067 3.336 1.00 0.00 H new ATOM 402 N LYS A 31 6.126 4.870 5.020 1.00 0.00 N ATOM 403 CA LYS A 31 6.396 6.017 5.879 1.00 0.00 C ATOM 404 C LYS A 31 7.051 7.146 5.089 1.00 0.00 C ATOM 405 O LYS A 31 8.112 6.965 4.493 1.00 0.00 O ATOM 406 CB LYS A 31 7.299 5.606 7.044 1.00 0.00 C ATOM 407 CG LYS A 31 7.344 6.627 8.168 1.00 0.00 C ATOM 408 CD LYS A 31 7.587 5.964 9.514 1.00 0.00 C ATOM 409 CE LYS A 31 8.117 6.958 10.537 1.00 0.00 C ATOM 410 NZ LYS A 31 8.880 6.282 11.622 1.00 0.00 N ATOM 0 H LYS A 31 6.924 4.564 4.463 1.00 0.00 H new ATOM 0 HA LYS A 31 5.445 6.376 6.273 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.952 4.653 7.444 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.310 5.445 6.670 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.134 7.352 7.971 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.404 7.179 8.197 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.658 5.526 9.878 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.299 5.147 9.395 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.760 7.684 10.039 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.285 7.513 10.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.224 6.993 12.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.260 5.607 12.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.689 5.773 11.212 1.00 0.00 H new ATOM 424 N ALA A 32 6.411 8.311 5.090 1.00 0.00 N ATOM 425 CA ALA A 32 6.933 9.470 4.376 1.00 0.00 C ATOM 426 C ALA A 32 6.979 10.696 5.281 1.00 0.00 C ATOM 427 O ALA A 32 6.082 10.914 6.096 1.00 0.00 O ATOM 428 CB ALA A 32 6.089 9.753 3.142 1.00 0.00 C ATOM 0 H ALA A 32 5.530 8.477 5.577 1.00 0.00 H new ATOM 0 HA ALA A 32 7.952 9.245 4.062 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.490 10.621 2.618 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.111 8.887 2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.061 9.954 3.443 1.00 0.00 H new ATOM 434 N THR A 33 8.031 11.496 5.133 1.00 0.00 N ATOM 435 CA THR A 33 8.195 12.699 5.938 1.00 0.00 C ATOM 436 C THR A 33 8.120 13.953 5.074 1.00 0.00 C ATOM 437 O THR A 33 8.640 13.982 3.959 1.00 0.00 O ATOM 438 CB THR A 33 9.536 12.691 6.695 1.00 0.00 C ATOM 439 OG1 THR A 33 9.782 13.978 7.272 1.00 0.00 O ATOM 440 CG2 THR A 33 10.681 12.320 5.764 1.00 0.00 C ATOM 0 H THR A 33 8.782 11.332 4.463 1.00 0.00 H new ATOM 0 HA THR A 33 7.379 12.709 6.660 1.00 0.00 H new ATOM 0 HB THR A 33 9.476 11.944 7.487 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.636 13.963 7.753 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.618 12.321 6.321 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.506 11.327 5.350 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.740 13.046 4.953 1.00 0.00 H new ATOM 448 N GLY A 34 7.471 14.989 5.596 1.00 0.00 N ATOM 449 CA GLY A 34 7.341 16.232 4.858 1.00 0.00 C ATOM 450 C GLY A 34 6.674 17.323 5.673 1.00 0.00 C ATOM 451 O GLY A 34 6.011 17.043 6.672 1.00 0.00 O ATOM 0 H GLY A 34 7.033 14.990 6.517 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.329 16.570 4.544 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.762 16.054 3.952 1.00 0.00 H new ATOM 455 N ASP A 35 6.851 18.568 5.247 1.00 0.00 N ATOM 456 CA ASP A 35 6.262 19.706 5.944 1.00 0.00 C ATOM 457 C ASP A 35 5.601 20.665 4.958 1.00 0.00 C ATOM 458 O ASP A 35 6.266 21.422 4.251 1.00 0.00 O ATOM 459 CB ASP A 35 7.328 20.443 6.755 1.00 0.00 C ATOM 460 CG ASP A 35 6.729 21.333 7.826 1.00 0.00 C ATOM 461 OD1 ASP A 35 6.340 22.474 7.499 1.00 0.00 O ATOM 462 OD2 ASP A 35 6.651 20.890 8.991 1.00 0.00 O ATOM 0 H ASP A 35 7.398 18.816 4.422 1.00 0.00 H new ATOM 0 HA ASP A 35 5.498 19.328 6.623 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.993 19.716 7.221 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.938 21.048 6.083 1.00 0.00 H new ATOM 467 N PRO A 36 4.261 20.632 4.908 1.00 0.00 N ATOM 468 CA PRO A 36 3.459 19.734 5.744 1.00 0.00 C ATOM 469 C PRO A 36 3.608 18.273 5.334 1.00 0.00 C ATOM 470 O PRO A 36 4.254 17.961 4.332 1.00 0.00 O ATOM 471 CB PRO A 36 2.025 20.213 5.505 1.00 0.00 C ATOM 472 CG PRO A 36 2.059 20.855 4.161 1.00 0.00 C ATOM 473 CD PRO A 36 3.426 21.469 4.030 1.00 0.00 C ATOM 0 HA PRO A 36 3.766 19.768 6.789 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.321 19.381 5.529 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.710 20.919 6.273 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.883 20.122 3.374 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.281 21.613 4.071 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.779 21.447 2.999 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.430 22.512 4.346 1.00 0.00 H new ATOM 481 N LEU A 37 3.007 17.380 6.113 1.00 0.00 N ATOM 482 CA LEU A 37 3.072 15.951 5.830 1.00 0.00 C ATOM 483 C LEU A 37 2.380 15.624 4.511 1.00 0.00 C ATOM 484 O LEU A 37 1.318 16.160 4.190 1.00 0.00 O ATOM 485 CB LEU A 37 2.429 15.156 6.968 1.00 0.00 C ATOM 486 CG LEU A 37 3.356 14.757 8.117 1.00 0.00 C ATOM 487 CD1 LEU A 37 2.556 14.506 9.386 1.00 0.00 C ATOM 488 CD2 LEU A 37 4.168 13.526 7.743 1.00 0.00 C ATOM 0 H LEU A 37 2.469 17.621 6.946 1.00 0.00 H new ATOM 0 HA LEU A 37 4.122 15.670 5.747 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.609 15.746 7.378 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.992 14.250 6.549 1.00 0.00 H new ATOM 0 HG LEU A 37 4.046 15.580 8.305 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.232 14.223 10.193 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.020 15.413 9.664 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.842 13.701 9.213 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.822 13.256 8.572 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.494 12.697 7.528 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.771 13.742 6.861 1.00 0.00 H new ATOM 500 N PRO A 38 2.991 14.723 3.729 1.00 0.00 N ATOM 501 CA PRO A 38 2.449 14.302 2.433 1.00 0.00 C ATOM 502 C PRO A 38 1.184 13.463 2.578 1.00 0.00 C ATOM 503 O PRO A 38 0.913 12.910 3.644 1.00 0.00 O ATOM 504 CB PRO A 38 3.580 13.465 1.830 1.00 0.00 C ATOM 505 CG PRO A 38 4.349 12.965 3.005 1.00 0.00 C ATOM 506 CD PRO A 38 4.258 14.044 4.048 1.00 0.00 C ATOM 0 HA PRO A 38 2.156 15.153 1.818 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.188 12.641 1.234 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.208 14.065 1.171 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.932 12.028 3.375 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.387 12.768 2.737 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.248 13.629 5.056 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.105 14.728 3.993 1.00 0.00 H new ATOM 514 N VAL A 39 0.413 13.372 1.499 1.00 0.00 N ATOM 515 CA VAL A 39 -0.823 12.599 1.507 1.00 0.00 C ATOM 516 C VAL A 39 -0.595 11.193 0.962 1.00 0.00 C ATOM 517 O VAL A 39 -0.791 10.937 -0.226 1.00 0.00 O ATOM 518 CB VAL A 39 -1.921 13.288 0.674 1.00 0.00 C ATOM 519 CG1 VAL A 39 -3.175 12.428 0.629 1.00 0.00 C ATOM 520 CG2 VAL A 39 -2.230 14.666 1.238 1.00 0.00 C ATOM 0 H VAL A 39 0.623 13.824 0.609 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.150 12.535 2.545 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.557 13.411 -0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.940 12.930 0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.940 11.465 0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.546 12.272 1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.007 15.139 0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.575 14.569 2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.329 15.280 1.213 1.00 0.00 H new ATOM 530 N ILE A 40 -0.180 10.285 1.839 1.00 0.00 N ATOM 531 CA ILE A 40 0.073 8.904 1.447 1.00 0.00 C ATOM 532 C ILE A 40 -1.100 8.333 0.659 1.00 0.00 C ATOM 533 O ILE A 40 -2.222 8.262 1.161 1.00 0.00 O ATOM 534 CB ILE A 40 0.339 8.010 2.672 1.00 0.00 C ATOM 535 CG1 ILE A 40 1.534 8.539 3.467 1.00 0.00 C ATOM 536 CG2 ILE A 40 0.580 6.573 2.237 1.00 0.00 C ATOM 537 CD1 ILE A 40 2.861 8.334 2.771 1.00 0.00 C ATOM 0 H ILE A 40 -0.012 10.481 2.826 1.00 0.00 H new ATOM 0 HA ILE A 40 0.961 8.913 0.816 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.540 8.031 3.316 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.392 9.603 3.655 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.562 8.044 4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.767 5.954 3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.298 6.200 1.710 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.445 6.534 1.575 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.663 8.733 3.392 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.025 7.269 2.607 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.853 8.852 1.812 1.00 0.00 H new ATOM 549 N SER A 41 -0.834 7.924 -0.577 1.00 0.00 N ATOM 550 CA SER A 41 -1.868 7.360 -1.436 1.00 0.00 C ATOM 551 C SER A 41 -1.398 6.052 -2.065 1.00 0.00 C ATOM 552 O SER A 41 -0.254 5.638 -1.881 1.00 0.00 O ATOM 553 CB SER A 41 -2.251 8.357 -2.531 1.00 0.00 C ATOM 554 OG SER A 41 -3.209 9.290 -2.060 1.00 0.00 O ATOM 0 H SER A 41 0.090 7.973 -1.006 1.00 0.00 H new ATOM 0 HA SER A 41 -2.744 7.153 -0.821 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.361 8.886 -2.873 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.653 7.821 -3.391 1.00 0.00 H new ATOM 0 HG SER A 41 -3.436 9.917 -2.778 1.00 0.00 H new ATOM 560 N TRP A 42 -2.290 5.406 -2.807 1.00 0.00 N ATOM 561 CA TRP A 42 -1.968 4.144 -3.464 1.00 0.00 C ATOM 562 C TRP A 42 -2.650 4.049 -4.824 1.00 0.00 C ATOM 563 O TRP A 42 -3.796 4.470 -4.986 1.00 0.00 O ATOM 564 CB TRP A 42 -2.390 2.966 -2.585 1.00 0.00 C ATOM 565 CG TRP A 42 -1.772 2.992 -1.219 1.00 0.00 C ATOM 566 CD1 TRP A 42 -2.255 3.632 -0.113 1.00 0.00 C ATOM 567 CD2 TRP A 42 -0.556 2.352 -0.817 1.00 0.00 C ATOM 568 NE1 TRP A 42 -1.412 3.428 0.953 1.00 0.00 N ATOM 569 CE2 TRP A 42 -0.363 2.646 0.547 1.00 0.00 C ATOM 570 CE3 TRP A 42 0.387 1.559 -1.475 1.00 0.00 C ATOM 571 CZ2 TRP A 42 0.735 2.174 1.262 1.00 0.00 C ATOM 572 CZ3 TRP A 42 1.476 1.091 -0.764 1.00 0.00 C ATOM 573 CH2 TRP A 42 1.643 1.399 0.592 1.00 0.00 C ATOM 0 H TRP A 42 -3.242 5.735 -2.969 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.889 4.107 -3.616 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.475 2.967 -2.485 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.117 2.035 -3.082 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -3.165 4.213 -0.081 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.546 3.799 1.894 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.267 1.316 -2.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.865 2.411 2.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.211 0.477 -1.263 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.505 1.018 1.119 1.00 0.00 H new ATOM 584 N LEU A 43 -1.939 3.494 -5.799 1.00 0.00 N ATOM 585 CA LEU A 43 -2.476 3.343 -7.147 1.00 0.00 C ATOM 586 C LEU A 43 -2.335 1.903 -7.632 1.00 0.00 C ATOM 587 O LEU A 43 -1.226 1.381 -7.746 1.00 0.00 O ATOM 588 CB LEU A 43 -1.761 4.290 -8.112 1.00 0.00 C ATOM 589 CG LEU A 43 -2.134 5.769 -8.001 1.00 0.00 C ATOM 590 CD1 LEU A 43 -1.163 6.626 -8.797 1.00 0.00 C ATOM 591 CD2 LEU A 43 -3.562 5.995 -8.477 1.00 0.00 C ATOM 0 H LEU A 43 -0.989 3.141 -5.682 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.536 3.595 -7.119 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.687 4.194 -7.954 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.964 3.960 -9.131 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.070 6.063 -6.953 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.445 7.675 -8.706 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.153 6.486 -8.411 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.194 6.332 -9.846 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.811 7.053 -8.391 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.652 5.684 -9.518 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.247 5.410 -7.863 1.00 0.00 H new ATOM 603 N LYS A 44 -3.466 1.267 -7.918 1.00 0.00 N ATOM 604 CA LYS A 44 -3.470 -0.111 -8.395 1.00 0.00 C ATOM 605 C LYS A 44 -3.154 -0.172 -9.886 1.00 0.00 C ATOM 606 O LYS A 44 -4.011 0.113 -10.722 1.00 0.00 O ATOM 607 CB LYS A 44 -4.827 -0.763 -8.122 1.00 0.00 C ATOM 608 CG LYS A 44 -4.850 -2.257 -8.393 1.00 0.00 C ATOM 609 CD LYS A 44 -5.860 -2.969 -7.508 1.00 0.00 C ATOM 610 CE LYS A 44 -5.585 -4.463 -7.440 1.00 0.00 C ATOM 611 NZ LYS A 44 -6.090 -5.062 -6.173 1.00 0.00 N ATOM 0 H LYS A 44 -4.392 1.684 -7.828 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.697 -0.658 -7.856 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.103 -0.587 -7.082 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.584 -0.279 -8.739 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.094 -2.434 -9.440 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.858 -2.674 -8.222 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.828 -2.546 -6.504 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.866 -2.800 -7.893 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.056 -4.958 -8.289 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.513 -4.639 -7.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.620 -5.975 -6.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.886 -4.421 -5.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.117 -5.209 -6.244 1.00 0.00 H new ATOM 625 N GLU A 45 -1.921 -0.547 -10.211 1.00 0.00 N ATOM 626 CA GLU A 45 -1.495 -0.646 -11.602 1.00 0.00 C ATOM 627 C GLU A 45 -1.761 0.659 -12.346 1.00 0.00 C ATOM 628 O GLU A 45 -1.979 0.662 -13.557 1.00 0.00 O ATOM 629 CB GLU A 45 -2.218 -1.801 -12.299 1.00 0.00 C ATOM 630 CG GLU A 45 -1.875 -3.167 -11.728 1.00 0.00 C ATOM 631 CD GLU A 45 -2.378 -4.304 -12.596 1.00 0.00 C ATOM 632 OE1 GLU A 45 -3.564 -4.672 -12.464 1.00 0.00 O ATOM 633 OE2 GLU A 45 -1.585 -4.826 -13.407 1.00 0.00 O ATOM 0 H GLU A 45 -1.200 -0.787 -9.531 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.422 -0.839 -11.614 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.294 -1.644 -12.222 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.969 -1.787 -13.360 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.794 -3.250 -11.618 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.305 -3.258 -10.731 1.00 0.00 H new ATOM 640 N GLY A 46 -1.741 1.767 -11.612 1.00 0.00 N ATOM 641 CA GLY A 46 -1.982 3.063 -12.219 1.00 0.00 C ATOM 642 C GLY A 46 -3.445 3.458 -12.180 1.00 0.00 C ATOM 643 O GLY A 46 -3.891 4.292 -12.968 1.00 0.00 O ATOM 0 H GLY A 46 -1.562 1.790 -10.608 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.391 3.819 -11.702 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.641 3.045 -13.254 1.00 0.00 H new ATOM 647 N PHE A 47 -4.195 2.858 -11.262 1.00 0.00 N ATOM 648 CA PHE A 47 -5.617 3.149 -11.125 1.00 0.00 C ATOM 649 C PHE A 47 -5.960 3.518 -9.685 1.00 0.00 C ATOM 650 O PHE A 47 -5.323 3.048 -8.742 1.00 0.00 O ATOM 651 CB PHE A 47 -6.451 1.946 -11.569 1.00 0.00 C ATOM 652 CG PHE A 47 -6.362 1.665 -13.041 1.00 0.00 C ATOM 653 CD1 PHE A 47 -6.980 2.501 -13.958 1.00 0.00 C ATOM 654 CD2 PHE A 47 -5.662 0.566 -13.510 1.00 0.00 C ATOM 655 CE1 PHE A 47 -6.901 2.246 -15.314 1.00 0.00 C ATOM 656 CE2 PHE A 47 -5.578 0.306 -14.864 1.00 0.00 C ATOM 657 CZ PHE A 47 -6.199 1.146 -15.768 1.00 0.00 C ATOM 0 H PHE A 47 -3.841 2.166 -10.601 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.852 4.000 -11.765 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.123 1.064 -11.019 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.494 2.119 -11.303 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.530 3.362 -13.608 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.176 -0.096 -12.809 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.387 2.905 -16.018 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.027 -0.554 -15.216 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.136 0.943 -16.827 1.00 0.00 H new ATOM 667 N THR A 48 -6.974 4.363 -9.522 1.00 0.00 N ATOM 668 CA THR A 48 -7.402 4.796 -8.198 1.00 0.00 C ATOM 669 C THR A 48 -7.485 3.619 -7.234 1.00 0.00 C ATOM 670 O THR A 48 -8.000 2.555 -7.580 1.00 0.00 O ATOM 671 CB THR A 48 -8.772 5.498 -8.253 1.00 0.00 C ATOM 672 OG1 THR A 48 -9.097 6.040 -6.968 1.00 0.00 O ATOM 673 CG2 THR A 48 -9.860 4.528 -8.689 1.00 0.00 C ATOM 0 H THR A 48 -7.514 4.761 -10.291 1.00 0.00 H new ATOM 0 HA THR A 48 -6.654 5.503 -7.839 1.00 0.00 H new ATOM 0 HB THR A 48 -8.713 6.305 -8.983 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.969 6.486 -7.012 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.818 5.046 -8.720 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.625 4.139 -9.680 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.917 3.703 -7.979 1.00 0.00 H new ATOM 681 N PHE A 49 -6.976 3.815 -6.022 1.00 0.00 N ATOM 682 CA PHE A 49 -6.993 2.768 -5.007 1.00 0.00 C ATOM 683 C PHE A 49 -6.594 3.326 -3.644 1.00 0.00 C ATOM 684 O PHE A 49 -5.669 4.129 -3.520 1.00 0.00 O ATOM 685 CB PHE A 49 -6.048 1.631 -5.401 1.00 0.00 C ATOM 686 CG PHE A 49 -6.193 0.407 -4.544 1.00 0.00 C ATOM 687 CD1 PHE A 49 -5.777 0.417 -3.222 1.00 0.00 C ATOM 688 CD2 PHE A 49 -6.746 -0.755 -5.059 1.00 0.00 C ATOM 689 CE1 PHE A 49 -5.909 -0.709 -2.431 1.00 0.00 C ATOM 690 CE2 PHE A 49 -6.881 -1.884 -4.272 1.00 0.00 C ATOM 691 CZ PHE A 49 -6.462 -1.860 -2.957 1.00 0.00 C ATOM 0 H PHE A 49 -6.547 4.689 -5.719 1.00 0.00 H new ATOM 0 HA PHE A 49 -8.009 2.380 -4.938 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.232 1.361 -6.441 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.019 1.987 -5.341 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.345 1.315 -2.805 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.075 -0.779 -6.087 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.580 -0.689 -1.403 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.314 -2.783 -4.686 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.567 -2.740 -2.340 1.00 0.00 H new ATOM 701 N PRO A 50 -7.309 2.892 -2.595 1.00 0.00 N ATOM 702 CA PRO A 50 -8.413 1.937 -2.731 1.00 0.00 C ATOM 703 C PRO A 50 -9.624 2.546 -3.429 1.00 0.00 C ATOM 704 O PRO A 50 -10.403 1.841 -4.069 1.00 0.00 O ATOM 705 CB PRO A 50 -8.754 1.581 -1.282 1.00 0.00 C ATOM 706 CG PRO A 50 -8.305 2.758 -0.487 1.00 0.00 C ATOM 707 CD PRO A 50 -7.095 3.300 -1.197 1.00 0.00 C ATOM 0 HA PRO A 50 -8.136 1.078 -3.342 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -9.823 1.404 -1.159 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -8.242 0.672 -0.967 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.091 3.510 -0.426 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.061 2.468 0.535 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.024 4.383 -1.101 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.172 2.883 -0.794 1.00 0.00 H new ATOM 715 N GLY A 51 -9.776 3.861 -3.302 1.00 0.00 N ATOM 716 CA GLY A 51 -10.895 4.542 -3.926 1.00 0.00 C ATOM 717 C GLY A 51 -12.078 4.693 -2.991 1.00 0.00 C ATOM 718 O GLY A 51 -13.229 4.573 -3.410 1.00 0.00 O ATOM 0 H GLY A 51 -9.144 4.466 -2.778 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.574 5.528 -4.263 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.205 3.988 -4.812 1.00 0.00 H new ATOM 722 N ARG A 52 -11.794 4.955 -1.719 1.00 0.00 N ATOM 723 CA ARG A 52 -12.844 5.119 -0.721 1.00 0.00 C ATOM 724 C ARG A 52 -13.772 3.908 -0.703 1.00 0.00 C ATOM 725 O ARG A 52 -14.995 4.051 -0.695 1.00 0.00 O ATOM 726 CB ARG A 52 -13.650 6.389 -1.001 1.00 0.00 C ATOM 727 CG ARG A 52 -12.808 7.654 -1.014 1.00 0.00 C ATOM 728 CD ARG A 52 -13.549 8.810 -1.668 1.00 0.00 C ATOM 729 NE ARG A 52 -14.574 9.369 -0.791 1.00 0.00 N ATOM 730 CZ ARG A 52 -15.390 10.354 -1.149 1.00 0.00 C ATOM 731 NH1 ARG A 52 -15.302 10.886 -2.360 1.00 0.00 N ATOM 732 NH2 ARG A 52 -16.298 10.808 -0.294 1.00 0.00 N ATOM 0 H ARG A 52 -10.846 5.058 -1.356 1.00 0.00 H new ATOM 0 HA ARG A 52 -12.370 5.206 0.257 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -14.151 6.286 -1.964 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.429 6.489 -0.245 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.539 7.924 0.007 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.877 7.467 -1.550 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.837 9.591 -1.937 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.011 8.467 -2.593 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.669 8.982 0.148 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -14.606 10.539 -3.020 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -15.930 11.642 -2.632 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.369 10.400 0.638 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -16.924 11.564 -0.569 1.00 0.00 H new ATOM 746 N ASP A 53 -13.183 2.718 -0.699 1.00 0.00 N ATOM 747 CA ASP A 53 -13.957 1.482 -0.683 1.00 0.00 C ATOM 748 C ASP A 53 -13.938 0.848 0.705 1.00 0.00 C ATOM 749 O ASP A 53 -12.993 1.012 1.476 1.00 0.00 O ATOM 750 CB ASP A 53 -13.406 0.497 -1.715 1.00 0.00 C ATOM 751 CG ASP A 53 -12.219 -0.288 -1.191 1.00 0.00 C ATOM 752 OD1 ASP A 53 -11.494 0.242 -0.324 1.00 0.00 O ATOM 753 OD2 ASP A 53 -12.017 -1.432 -1.648 1.00 0.00 O ATOM 0 H ASP A 53 -12.172 2.583 -0.707 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.989 1.724 -0.938 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -14.195 -0.196 -2.009 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.110 1.042 -2.611 1.00 0.00 H new ATOM 758 N PRO A 54 -15.007 0.106 1.031 1.00 0.00 N ATOM 759 CA PRO A 54 -15.137 -0.567 2.327 1.00 0.00 C ATOM 760 C PRO A 54 -14.163 -1.730 2.477 1.00 0.00 C ATOM 761 O PRO A 54 -13.597 -1.944 3.549 1.00 0.00 O ATOM 762 CB PRO A 54 -16.581 -1.076 2.318 1.00 0.00 C ATOM 763 CG PRO A 54 -16.923 -1.220 0.875 1.00 0.00 C ATOM 764 CD PRO A 54 -16.170 -0.132 0.161 1.00 0.00 C ATOM 0 HA PRO A 54 -14.911 0.101 3.158 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -16.669 -2.028 2.842 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -17.251 -0.375 2.816 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -16.636 -2.203 0.502 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -17.997 -1.120 0.716 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -15.867 -0.443 -0.839 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -16.776 0.767 0.045 1.00 0.00 H new ATOM 772 N ARG A 55 -13.971 -2.478 1.395 1.00 0.00 N ATOM 773 CA ARG A 55 -13.065 -3.620 1.407 1.00 0.00 C ATOM 774 C ARG A 55 -11.656 -3.192 1.808 1.00 0.00 C ATOM 775 O ARG A 55 -11.090 -3.711 2.770 1.00 0.00 O ATOM 776 CB ARG A 55 -13.034 -4.289 0.031 1.00 0.00 C ATOM 777 CG ARG A 55 -14.295 -5.074 -0.292 1.00 0.00 C ATOM 778 CD ARG A 55 -14.006 -6.223 -1.246 1.00 0.00 C ATOM 779 NE ARG A 55 -13.170 -5.805 -2.369 1.00 0.00 N ATOM 780 CZ ARG A 55 -12.825 -6.610 -3.368 1.00 0.00 C ATOM 781 NH1 ARG A 55 -13.243 -7.868 -3.384 1.00 0.00 N ATOM 782 NH2 ARG A 55 -12.062 -6.156 -4.354 1.00 0.00 N ATOM 0 H ARG A 55 -14.431 -2.314 0.499 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.433 -4.335 2.143 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.886 -3.525 -0.732 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.176 -4.959 -0.019 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.728 -5.464 0.629 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.036 -4.409 -0.736 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.509 -7.028 -0.704 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.946 -6.626 -1.624 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.833 -4.843 -2.387 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.831 -8.220 -2.628 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.977 -8.484 -4.152 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.740 -5.188 -4.345 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.798 -6.775 -5.121 1.00 0.00 H new ATOM 796 N ALA A 56 -11.097 -2.244 1.064 1.00 0.00 N ATOM 797 CA ALA A 56 -9.756 -1.746 1.342 1.00 0.00 C ATOM 798 C ALA A 56 -9.807 -0.466 2.170 1.00 0.00 C ATOM 799 O ALA A 56 -10.801 0.261 2.149 1.00 0.00 O ATOM 800 CB ALA A 56 -9.001 -1.506 0.043 1.00 0.00 C ATOM 0 H ALA A 56 -11.552 -1.805 0.264 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.228 -2.503 1.922 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.001 -1.134 0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.925 -2.441 -0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.536 -0.770 -0.558 1.00 0.00 H new ATOM 806 N THR A 57 -8.729 -0.196 2.900 1.00 0.00 N ATOM 807 CA THR A 57 -8.652 0.995 3.737 1.00 0.00 C ATOM 808 C THR A 57 -7.208 1.310 4.112 1.00 0.00 C ATOM 809 O THR A 57 -6.317 0.479 3.940 1.00 0.00 O ATOM 810 CB THR A 57 -9.481 0.832 5.024 1.00 0.00 C ATOM 811 OG1 THR A 57 -9.512 2.068 5.747 1.00 0.00 O ATOM 812 CG2 THR A 57 -8.901 -0.263 5.907 1.00 0.00 C ATOM 0 H THR A 57 -7.897 -0.786 2.928 1.00 0.00 H new ATOM 0 HA THR A 57 -9.061 1.819 3.153 1.00 0.00 H new ATOM 0 HB THR A 57 -10.496 0.550 4.742 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.043 1.956 6.563 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.504 -0.359 6.810 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.906 -1.209 5.365 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.877 -0.007 6.180 1.00 0.00 H new ATOM 820 N ILE A 58 -6.985 2.515 4.626 1.00 0.00 N ATOM 821 CA ILE A 58 -5.650 2.938 5.028 1.00 0.00 C ATOM 822 C ILE A 58 -5.566 3.137 6.537 1.00 0.00 C ATOM 823 O ILE A 58 -6.418 3.795 7.134 1.00 0.00 O ATOM 824 CB ILE A 58 -5.239 4.246 4.326 1.00 0.00 C ATOM 825 CG1 ILE A 58 -5.903 4.343 2.951 1.00 0.00 C ATOM 826 CG2 ILE A 58 -3.725 4.325 4.196 1.00 0.00 C ATOM 827 CD1 ILE A 58 -5.325 3.386 1.932 1.00 0.00 C ATOM 0 H ILE A 58 -7.712 3.215 4.774 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.965 2.144 4.730 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.576 5.087 4.932 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.970 4.147 3.057 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.802 5.362 2.579 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.451 5.255 3.698 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.273 4.297 5.187 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.366 3.480 3.609 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.843 3.510 0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.264 3.596 1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.451 2.362 2.283 1.00 0.00 H new ATOM 839 N GLN A 59 -4.534 2.565 7.148 1.00 0.00 N ATOM 840 CA GLN A 59 -4.339 2.681 8.588 1.00 0.00 C ATOM 841 C GLN A 59 -3.108 3.523 8.905 1.00 0.00 C ATOM 842 O GLN A 59 -2.213 3.667 8.074 1.00 0.00 O ATOM 843 CB GLN A 59 -4.198 1.294 9.218 1.00 0.00 C ATOM 844 CG GLN A 59 -5.263 0.309 8.764 1.00 0.00 C ATOM 845 CD GLN A 59 -6.541 0.417 9.572 1.00 0.00 C ATOM 846 OE1 GLN A 59 -6.549 0.173 10.779 1.00 0.00 O ATOM 847 NE2 GLN A 59 -7.631 0.786 8.910 1.00 0.00 N ATOM 0 H GLN A 59 -3.820 2.017 6.668 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.214 3.177 9.009 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -3.215 0.891 8.974 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -4.243 1.390 10.303 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -5.487 0.482 7.712 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.872 -0.705 8.844 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -7.579 0.979 7.910 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -8.520 0.877 9.402 1.00 0.00 H new ATOM 856 N GLU A 60 -3.071 4.078 10.113 1.00 0.00 N ATOM 857 CA GLU A 60 -1.950 4.907 10.538 1.00 0.00 C ATOM 858 C GLU A 60 -1.582 5.920 9.458 1.00 0.00 C ATOM 859 O GLU A 60 -0.429 6.338 9.352 1.00 0.00 O ATOM 860 CB GLU A 60 -0.738 4.034 10.869 1.00 0.00 C ATOM 861 CG GLU A 60 -1.048 2.902 11.834 1.00 0.00 C ATOM 862 CD GLU A 60 0.149 2.511 12.678 1.00 0.00 C ATOM 863 OE1 GLU A 60 1.014 3.379 12.919 1.00 0.00 O ATOM 864 OE2 GLU A 60 0.222 1.337 13.098 1.00 0.00 O ATOM 0 H GLU A 60 -3.804 3.968 10.814 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.252 5.451 11.433 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.340 3.614 9.945 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.045 4.661 11.297 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.867 3.201 12.488 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.390 2.033 11.271 1.00 0.00 H new ATOM 871 N GLN A 61 -2.570 6.308 8.658 1.00 0.00 N ATOM 872 CA GLN A 61 -2.349 7.270 7.584 1.00 0.00 C ATOM 873 C GLN A 61 -1.150 6.870 6.732 1.00 0.00 C ATOM 874 O GLN A 61 -0.323 7.707 6.373 1.00 0.00 O ATOM 875 CB GLN A 61 -2.134 8.670 8.162 1.00 0.00 C ATOM 876 CG GLN A 61 -2.915 8.927 9.441 1.00 0.00 C ATOM 877 CD GLN A 61 -2.950 10.395 9.819 1.00 0.00 C ATOM 878 OE1 GLN A 61 -2.408 11.243 9.109 1.00 0.00 O ATOM 879 NE2 GLN A 61 -3.589 10.703 10.941 1.00 0.00 N ATOM 0 H GLN A 61 -3.530 5.972 8.733 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.235 7.278 6.950 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.072 8.813 8.360 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.422 9.410 7.416 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.935 8.563 9.319 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.469 8.357 10.256 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.024 9.968 11.499 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -3.645 11.675 11.246 1.00 0.00 H new ATOM 888 N GLY A 62 -1.062 5.582 6.410 1.00 0.00 N ATOM 889 CA GLY A 62 0.040 5.093 5.603 1.00 0.00 C ATOM 890 C GLY A 62 0.008 3.588 5.430 1.00 0.00 C ATOM 891 O GLY A 62 0.295 3.072 4.349 1.00 0.00 O ATOM 0 H GLY A 62 -1.734 4.870 6.694 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.008 5.569 4.623 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.983 5.382 6.067 1.00 0.00 H new ATOM 895 N THR A 63 -0.340 2.878 6.499 1.00 0.00 N ATOM 896 CA THR A 63 -0.405 1.422 6.462 1.00 0.00 C ATOM 897 C THR A 63 -1.641 0.946 5.708 1.00 0.00 C ATOM 898 O THR A 63 -2.698 0.729 6.303 1.00 0.00 O ATOM 899 CB THR A 63 -0.421 0.824 7.882 1.00 0.00 C ATOM 900 OG1 THR A 63 0.703 1.305 8.628 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.388 -0.696 7.829 1.00 0.00 C ATOM 0 H THR A 63 -0.581 3.288 7.401 1.00 0.00 H new ATOM 0 HA THR A 63 0.489 1.079 5.942 1.00 0.00 H new ATOM 0 HB THR A 63 -1.343 1.135 8.374 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.685 0.922 9.530 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.400 -1.096 8.843 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.260 -1.060 7.285 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.519 -1.023 7.321 1.00 0.00 H new ATOM 909 N LEU A 64 -1.503 0.784 4.397 1.00 0.00 N ATOM 910 CA LEU A 64 -2.610 0.332 3.561 1.00 0.00 C ATOM 911 C LEU A 64 -2.997 -1.104 3.899 1.00 0.00 C ATOM 912 O LEU A 64 -2.184 -2.020 3.776 1.00 0.00 O ATOM 913 CB LEU A 64 -2.234 0.437 2.082 1.00 0.00 C ATOM 914 CG LEU A 64 -3.220 -0.186 1.093 1.00 0.00 C ATOM 915 CD1 LEU A 64 -4.281 0.826 0.688 1.00 0.00 C ATOM 916 CD2 LEU A 64 -2.486 -0.712 -0.131 1.00 0.00 C ATOM 0 H LEU A 64 -0.636 0.959 3.890 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.468 0.975 3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.116 1.491 1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.262 -0.035 1.941 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.716 -1.024 1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.974 0.365 -0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.827 1.154 1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.803 1.685 0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.203 -1.152 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.963 0.109 -0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.765 -1.470 0.175 1.00 0.00 H new ATOM 928 N GLN A 65 -4.242 -1.292 4.323 1.00 0.00 N ATOM 929 CA GLN A 65 -4.736 -2.618 4.677 1.00 0.00 C ATOM 930 C GLN A 65 -5.862 -3.046 3.743 1.00 0.00 C ATOM 931 O GLN A 65 -6.606 -2.211 3.228 1.00 0.00 O ATOM 932 CB GLN A 65 -5.226 -2.632 6.126 1.00 0.00 C ATOM 933 CG GLN A 65 -5.849 -3.955 6.545 1.00 0.00 C ATOM 934 CD GLN A 65 -6.595 -3.858 7.861 1.00 0.00 C ATOM 935 OE1 GLN A 65 -7.831 -4.342 7.878 1.00 0.00 O flip ATOM 936 NE2 GLN A 65 -6.065 -3.354 8.852 1.00 0.00 N flip ATOM 0 H GLN A 65 -4.927 -0.544 4.430 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.913 -3.325 4.572 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.388 -2.409 6.786 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.958 -1.836 6.261 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.534 -4.292 5.767 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.067 -4.710 6.630 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.112 -2.994 8.793 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.579 -3.296 9.731 1.00 0.00 H new ATOM 945 N ILE A 66 -5.981 -4.352 3.527 1.00 0.00 N ATOM 946 CA ILE A 66 -7.017 -4.891 2.655 1.00 0.00 C ATOM 947 C ILE A 66 -7.678 -6.115 3.278 1.00 0.00 C ATOM 948 O ILE A 66 -7.032 -6.896 3.978 1.00 0.00 O ATOM 949 CB ILE A 66 -6.448 -5.275 1.276 1.00 0.00 C ATOM 950 CG1 ILE A 66 -5.591 -4.137 0.719 1.00 0.00 C ATOM 951 CG2 ILE A 66 -7.577 -5.615 0.314 1.00 0.00 C ATOM 952 CD1 ILE A 66 -4.708 -4.555 -0.436 1.00 0.00 C ATOM 0 H ILE A 66 -5.372 -5.056 3.944 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.761 -4.105 2.526 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.817 -6.156 1.392 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.244 -3.328 0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.966 -3.739 1.518 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.160 -5.884 -0.656 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.150 -6.454 0.708 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.231 -4.750 0.200 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.129 -3.698 -0.780 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.030 -5.343 -0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.328 -4.925 -1.252 1.00 0.00 H new ATOM 964 N LYS A 67 -8.971 -6.279 3.018 1.00 0.00 N ATOM 965 CA LYS A 67 -9.721 -7.411 3.551 1.00 0.00 C ATOM 966 C LYS A 67 -10.393 -8.195 2.428 1.00 0.00 C ATOM 967 O LYS A 67 -10.738 -7.635 1.388 1.00 0.00 O ATOM 968 CB LYS A 67 -10.775 -6.926 4.549 1.00 0.00 C ATOM 969 CG LYS A 67 -10.184 -6.267 5.784 1.00 0.00 C ATOM 970 CD LYS A 67 -11.092 -6.431 6.992 1.00 0.00 C ATOM 971 CE LYS A 67 -10.716 -5.466 8.106 1.00 0.00 C ATOM 972 NZ LYS A 67 -9.708 -6.053 9.032 1.00 0.00 N ATOM 0 H LYS A 67 -9.521 -5.642 2.442 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.020 -8.071 4.063 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.437 -6.218 4.051 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.388 -7.773 4.857 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.209 -6.703 5.999 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.023 -5.207 5.590 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.127 -6.261 6.696 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.029 -7.455 7.360 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.320 -4.548 7.673 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.610 -5.194 8.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.996 -5.876 10.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.642 -7.078 8.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.781 -5.615 8.859 1.00 0.00 H new ATOM 986 N ASN A 68 -10.578 -9.492 2.646 1.00 0.00 N ATOM 987 CA ASN A 68 -11.210 -10.353 1.652 1.00 0.00 C ATOM 988 C ASN A 68 -10.375 -10.414 0.377 1.00 0.00 C ATOM 989 O ASN A 68 -10.895 -10.247 -0.727 1.00 0.00 O ATOM 990 CB ASN A 68 -12.617 -9.847 1.331 1.00 0.00 C ATOM 991 CG ASN A 68 -13.669 -10.440 2.248 1.00 0.00 C ATOM 992 OD1 ASN A 68 -14.569 -11.150 1.800 1.00 0.00 O ATOM 993 ND2 ASN A 68 -13.559 -10.151 3.539 1.00 0.00 N ATOM 0 H ASN A 68 -10.299 -9.971 3.502 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.279 -11.358 2.068 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.637 -8.760 1.415 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.861 -10.092 0.297 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.237 -10.522 4.204 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.796 -9.558 3.866 1.00 0.00 H new ATOM 1000 N LEU A 69 -9.078 -10.656 0.536 1.00 0.00 N ATOM 1001 CA LEU A 69 -8.171 -10.741 -0.603 1.00 0.00 C ATOM 1002 C LEU A 69 -8.684 -11.740 -1.635 1.00 0.00 C ATOM 1003 O LEU A 69 -9.452 -12.645 -1.309 1.00 0.00 O ATOM 1004 CB LEU A 69 -6.772 -11.146 -0.136 1.00 0.00 C ATOM 1005 CG LEU A 69 -6.043 -10.138 0.754 1.00 0.00 C ATOM 1006 CD1 LEU A 69 -4.835 -10.785 1.414 1.00 0.00 C ATOM 1007 CD2 LEU A 69 -5.624 -8.919 -0.053 1.00 0.00 C ATOM 0 H LEU A 69 -8.631 -10.797 1.442 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.121 -9.758 -1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.850 -12.089 0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.157 -11.334 -1.016 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.727 -9.812 1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.329 -10.053 2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.162 -11.626 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.148 -11.141 0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.107 -8.213 0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.957 -9.227 -0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.508 -8.442 -0.477 1.00 0.00 H new ATOM 1019 N ARG A 70 -8.253 -11.569 -2.881 1.00 0.00 N ATOM 1020 CA ARG A 70 -8.668 -12.457 -3.961 1.00 0.00 C ATOM 1021 C ARG A 70 -7.545 -12.637 -4.978 1.00 0.00 C ATOM 1022 O ARG A 70 -6.782 -11.708 -5.246 1.00 0.00 O ATOM 1023 CB ARG A 70 -9.914 -11.903 -4.654 1.00 0.00 C ATOM 1024 CG ARG A 70 -11.097 -11.714 -3.719 1.00 0.00 C ATOM 1025 CD ARG A 70 -12.419 -11.830 -4.462 1.00 0.00 C ATOM 1026 NE ARG A 70 -12.565 -13.127 -5.117 1.00 0.00 N ATOM 1027 CZ ARG A 70 -13.576 -13.433 -5.924 1.00 0.00 C ATOM 1028 NH1 ARG A 70 -14.523 -12.539 -6.174 1.00 0.00 N ATOM 1029 NH2 ARG A 70 -13.639 -14.634 -6.483 1.00 0.00 N ATOM 0 H ARG A 70 -7.617 -10.825 -3.167 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.903 -13.430 -3.529 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.668 -10.946 -5.114 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.202 -12.579 -5.459 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -11.058 -12.460 -2.925 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -11.032 -10.737 -3.241 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.242 -11.682 -3.763 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.487 -11.037 -5.207 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.853 -13.837 -4.946 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -14.477 -11.614 -5.747 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.298 -12.776 -6.794 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.911 -15.323 -6.294 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -14.415 -14.868 -7.102 1.00 0.00 H new ATOM 1043 N ILE A 71 -7.450 -13.837 -5.541 1.00 0.00 N ATOM 1044 CA ILE A 71 -6.421 -14.138 -6.528 1.00 0.00 C ATOM 1045 C ILE A 71 -6.342 -13.046 -7.590 1.00 0.00 C ATOM 1046 O ILE A 71 -5.314 -12.878 -8.246 1.00 0.00 O ATOM 1047 CB ILE A 71 -6.682 -15.490 -7.218 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -6.764 -16.610 -6.179 1.00 0.00 C ATOM 1049 CG2 ILE A 71 -5.590 -15.784 -8.236 1.00 0.00 C ATOM 1050 CD1 ILE A 71 -5.468 -16.839 -5.432 1.00 0.00 C ATOM 0 H ILE A 71 -8.073 -14.616 -5.330 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.474 -14.189 -5.991 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.636 -15.436 -7.742 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.550 -16.372 -5.462 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.055 -17.535 -6.676 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.788 -16.743 -8.715 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.574 -14.997 -8.990 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.624 -15.823 -7.732 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.601 -17.647 -4.712 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.683 -17.108 -6.139 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.185 -15.927 -4.906 1.00 0.00 H new ATOM 1062 N SER A 72 -7.433 -12.304 -7.751 1.00 0.00 N ATOM 1063 CA SER A 72 -7.487 -11.229 -8.734 1.00 0.00 C ATOM 1064 C SER A 72 -6.806 -9.972 -8.202 1.00 0.00 C ATOM 1065 O SER A 72 -6.139 -9.252 -8.946 1.00 0.00 O ATOM 1066 CB SER A 72 -8.940 -10.918 -9.101 1.00 0.00 C ATOM 1067 OG SER A 72 -9.678 -10.512 -7.962 1.00 0.00 O ATOM 0 H SER A 72 -8.291 -12.428 -7.213 1.00 0.00 H new ATOM 0 HA SER A 72 -6.956 -11.559 -9.627 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.967 -10.132 -9.855 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.403 -11.800 -9.543 1.00 0.00 H new ATOM 0 HG SER A 72 -10.602 -10.318 -8.223 1.00 0.00 H new ATOM 1073 N ASP A 73 -6.979 -9.714 -6.910 1.00 0.00 N ATOM 1074 CA ASP A 73 -6.380 -8.545 -6.277 1.00 0.00 C ATOM 1075 C ASP A 73 -4.894 -8.447 -6.610 1.00 0.00 C ATOM 1076 O ASP A 73 -4.355 -7.353 -6.779 1.00 0.00 O ATOM 1077 CB ASP A 73 -6.572 -8.605 -4.761 1.00 0.00 C ATOM 1078 CG ASP A 73 -7.947 -8.131 -4.332 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -8.920 -8.892 -4.512 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -8.050 -6.997 -3.818 1.00 0.00 O ATOM 0 H ASP A 73 -7.529 -10.299 -6.281 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.880 -7.657 -6.664 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.421 -9.629 -4.419 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.812 -7.992 -4.277 1.00 0.00 H new ATOM 1085 N THR A 74 -4.237 -9.599 -6.703 1.00 0.00 N ATOM 1086 CA THR A 74 -2.813 -9.644 -7.013 1.00 0.00 C ATOM 1087 C THR A 74 -2.441 -8.578 -8.038 1.00 0.00 C ATOM 1088 O THR A 74 -2.833 -8.657 -9.201 1.00 0.00 O ATOM 1089 CB THR A 74 -2.399 -11.026 -7.553 1.00 0.00 C ATOM 1090 OG1 THR A 74 -2.518 -12.011 -6.520 1.00 0.00 O ATOM 1091 CG2 THR A 74 -0.969 -10.998 -8.071 1.00 0.00 C ATOM 0 H THR A 74 -4.668 -10.513 -6.568 1.00 0.00 H new ATOM 0 HA THR A 74 -2.280 -9.452 -6.082 1.00 0.00 H new ATOM 0 HB THR A 74 -3.063 -11.283 -8.378 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.321 -12.551 -6.674 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.699 -11.985 -8.447 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.888 -10.268 -8.876 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.294 -10.721 -7.261 1.00 0.00 H new ATOM 1099 N GLY A 75 -1.679 -7.581 -7.597 1.00 0.00 N ATOM 1100 CA GLY A 75 -1.265 -6.514 -8.490 1.00 0.00 C ATOM 1101 C GLY A 75 -0.064 -5.753 -7.965 1.00 0.00 C ATOM 1102 O GLY A 75 0.607 -6.200 -7.035 1.00 0.00 O ATOM 0 H GLY A 75 -1.341 -7.493 -6.638 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.027 -6.934 -9.467 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.095 -5.822 -8.634 1.00 0.00 H new ATOM 1106 N THR A 76 0.210 -4.597 -8.564 1.00 0.00 N ATOM 1107 CA THR A 76 1.340 -3.773 -8.153 1.00 0.00 C ATOM 1108 C THR A 76 0.883 -2.379 -7.742 1.00 0.00 C ATOM 1109 O THR A 76 0.535 -1.554 -8.587 1.00 0.00 O ATOM 1110 CB THR A 76 2.382 -3.648 -9.281 1.00 0.00 C ATOM 1111 OG1 THR A 76 2.928 -4.935 -9.589 1.00 0.00 O ATOM 1112 CG2 THR A 76 3.502 -2.699 -8.879 1.00 0.00 C ATOM 0 H THR A 76 -0.335 -4.211 -9.335 1.00 0.00 H new ATOM 0 HA THR A 76 1.799 -4.268 -7.297 1.00 0.00 H new ATOM 0 HB THR A 76 1.884 -3.245 -10.163 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.654 -5.579 -8.903 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.226 -2.626 -9.691 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.087 -1.712 -8.674 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.996 -3.078 -7.985 1.00 0.00 H new ATOM 1120 N TYR A 77 0.885 -2.121 -6.439 1.00 0.00 N ATOM 1121 CA TYR A 77 0.469 -0.826 -5.915 1.00 0.00 C ATOM 1122 C TYR A 77 1.637 0.155 -5.894 1.00 0.00 C ATOM 1123 O TYR A 77 2.801 -0.246 -5.917 1.00 0.00 O ATOM 1124 CB TYR A 77 -0.105 -0.982 -4.506 1.00 0.00 C ATOM 1125 CG TYR A 77 0.548 -2.087 -3.706 1.00 0.00 C ATOM 1126 CD1 TYR A 77 1.832 -1.938 -3.197 1.00 0.00 C ATOM 1127 CD2 TYR A 77 -0.120 -3.280 -3.458 1.00 0.00 C ATOM 1128 CE1 TYR A 77 2.433 -2.945 -2.466 1.00 0.00 C ATOM 1129 CE2 TYR A 77 0.472 -4.292 -2.727 1.00 0.00 C ATOM 1130 CZ TYR A 77 1.748 -4.120 -2.234 1.00 0.00 C ATOM 1131 OH TYR A 77 2.343 -5.124 -1.505 1.00 0.00 O ATOM 0 H TYR A 77 1.170 -2.792 -5.726 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.304 -0.429 -6.573 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.009 -0.040 -3.970 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -1.174 -1.180 -4.578 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.370 -1.019 -3.376 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.119 -3.419 -3.843 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.433 -2.813 -2.079 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.062 -5.213 -2.543 1.00 0.00 H new ATOM 0 HH TYR A 77 1.731 -5.423 -0.800 1.00 0.00 H new ATOM 1141 N THR A 78 1.318 1.445 -5.851 1.00 0.00 N ATOM 1142 CA THR A 78 2.339 2.485 -5.827 1.00 0.00 C ATOM 1143 C THR A 78 2.077 3.489 -4.711 1.00 0.00 C ATOM 1144 O THR A 78 1.145 4.290 -4.789 1.00 0.00 O ATOM 1145 CB THR A 78 2.408 3.235 -7.171 1.00 0.00 C ATOM 1146 OG1 THR A 78 2.750 2.325 -8.223 1.00 0.00 O ATOM 1147 CG2 THR A 78 3.432 4.358 -7.112 1.00 0.00 C ATOM 0 H THR A 78 0.360 1.794 -5.832 1.00 0.00 H new ATOM 0 HA THR A 78 3.292 1.987 -5.647 1.00 0.00 H new ATOM 0 HB THR A 78 1.428 3.669 -7.371 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.790 2.809 -9.074 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.463 4.873 -8.072 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.153 5.064 -6.330 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.415 3.943 -6.891 1.00 0.00 H new ATOM 1155 N CYS A 79 2.903 3.440 -3.671 1.00 0.00 N ATOM 1156 CA CYS A 79 2.761 4.346 -2.538 1.00 0.00 C ATOM 1157 C CYS A 79 3.341 5.719 -2.863 1.00 0.00 C ATOM 1158 O CYS A 79 4.559 5.902 -2.884 1.00 0.00 O ATOM 1159 CB CYS A 79 3.455 3.765 -1.304 1.00 0.00 C ATOM 1160 SG CYS A 79 2.952 4.540 0.266 1.00 0.00 S ATOM 0 H CYS A 79 3.678 2.782 -3.590 1.00 0.00 H new ATOM 0 HA CYS A 79 1.698 4.462 -2.328 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.246 2.696 -1.252 1.00 0.00 H new ATOM 0 HB3 CYS A 79 4.533 3.874 -1.422 1.00 0.00 H new ATOM 1165 N VAL A 80 2.461 6.683 -3.115 1.00 0.00 N ATOM 1166 CA VAL A 80 2.885 8.040 -3.438 1.00 0.00 C ATOM 1167 C VAL A 80 2.492 9.015 -2.334 1.00 0.00 C ATOM 1168 O VAL A 80 1.389 8.945 -1.793 1.00 0.00 O ATOM 1169 CB VAL A 80 2.276 8.517 -4.770 1.00 0.00 C ATOM 1170 CG1 VAL A 80 0.834 8.047 -4.896 1.00 0.00 C ATOM 1171 CG2 VAL A 80 2.364 10.031 -4.883 1.00 0.00 C ATOM 0 H VAL A 80 1.450 6.549 -3.102 1.00 0.00 H new ATOM 0 HA VAL A 80 3.971 8.019 -3.531 1.00 0.00 H new ATOM 0 HB VAL A 80 2.848 8.081 -5.589 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.420 8.393 -5.843 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.802 6.958 -4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.246 8.453 -4.073 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.929 10.351 -5.830 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.817 10.490 -4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.409 10.339 -4.841 1.00 0.00 H new ATOM 1181 N ALA A 81 3.402 9.926 -2.005 1.00 0.00 N ATOM 1182 CA ALA A 81 3.150 10.918 -0.967 1.00 0.00 C ATOM 1183 C ALA A 81 3.307 12.334 -1.511 1.00 0.00 C ATOM 1184 O ALA A 81 4.403 12.894 -1.507 1.00 0.00 O ATOM 1185 CB ALA A 81 4.086 10.697 0.213 1.00 0.00 C ATOM 0 H ALA A 81 4.321 9.998 -2.442 1.00 0.00 H new ATOM 0 HA ALA A 81 2.121 10.799 -0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.887 11.445 0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.923 9.701 0.625 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.120 10.786 -0.121 1.00 0.00 H new ATOM 1191 N THR A 82 2.203 12.908 -1.979 1.00 0.00 N ATOM 1192 CA THR A 82 2.218 14.258 -2.529 1.00 0.00 C ATOM 1193 C THR A 82 2.146 15.303 -1.421 1.00 0.00 C ATOM 1194 O THR A 82 1.613 15.042 -0.343 1.00 0.00 O ATOM 1195 CB THR A 82 1.048 14.480 -3.506 1.00 0.00 C ATOM 1196 OG1 THR A 82 0.939 13.367 -4.400 1.00 0.00 O ATOM 1197 CG2 THR A 82 1.245 15.760 -4.304 1.00 0.00 C ATOM 0 H THR A 82 1.287 12.459 -1.988 1.00 0.00 H new ATOM 0 HA THR A 82 3.158 14.369 -3.069 1.00 0.00 H new ATOM 0 HB THR A 82 0.130 14.570 -2.925 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.192 13.515 -5.017 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.406 15.896 -4.987 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.299 16.609 -3.623 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.171 15.694 -4.875 1.00 0.00 H new ATOM 1205 N SER A 83 2.684 16.487 -1.695 1.00 0.00 N ATOM 1206 CA SER A 83 2.683 17.571 -0.720 1.00 0.00 C ATOM 1207 C SER A 83 3.064 18.894 -1.378 1.00 0.00 C ATOM 1208 O SER A 83 3.798 18.920 -2.366 1.00 0.00 O ATOM 1209 CB SER A 83 3.652 17.259 0.422 1.00 0.00 C ATOM 1210 OG SER A 83 4.995 17.474 0.024 1.00 0.00 O ATOM 0 H SER A 83 3.126 16.720 -2.584 1.00 0.00 H new ATOM 0 HA SER A 83 1.675 17.663 -0.317 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.419 17.887 1.282 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.524 16.224 0.739 1.00 0.00 H new ATOM 0 HG SER A 83 5.595 17.269 0.772 1.00 0.00 H new ATOM 1216 N SER A 84 2.558 19.991 -0.823 1.00 0.00 N ATOM 1217 CA SER A 84 2.841 21.318 -1.357 1.00 0.00 C ATOM 1218 C SER A 84 4.328 21.477 -1.656 1.00 0.00 C ATOM 1219 O SER A 84 4.724 22.322 -2.459 1.00 0.00 O ATOM 1220 CB SER A 84 2.390 22.395 -0.369 1.00 0.00 C ATOM 1221 OG SER A 84 2.690 23.692 -0.856 1.00 0.00 O ATOM 0 H SER A 84 1.950 19.987 -0.004 1.00 0.00 H new ATOM 0 HA SER A 84 2.286 21.434 -2.288 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.317 22.307 -0.195 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.882 22.241 0.591 1.00 0.00 H new ATOM 0 HG SER A 84 2.390 24.362 -0.207 1.00 0.00 H new ATOM 1227 N SER A 85 5.148 20.659 -1.004 1.00 0.00 N ATOM 1228 CA SER A 85 6.592 20.710 -1.196 1.00 0.00 C ATOM 1229 C SER A 85 6.995 20.001 -2.486 1.00 0.00 C ATOM 1230 O SER A 85 7.481 20.627 -3.427 1.00 0.00 O ATOM 1231 CB SER A 85 7.310 20.073 -0.005 1.00 0.00 C ATOM 1232 OG SER A 85 8.697 20.363 -0.030 1.00 0.00 O ATOM 0 H SER A 85 4.836 19.952 -0.338 1.00 0.00 H new ATOM 0 HA SER A 85 6.886 21.757 -1.270 1.00 0.00 H new ATOM 0 HB2 SER A 85 6.875 20.441 0.925 1.00 0.00 H new ATOM 0 HB3 SER A 85 7.161 18.993 -0.022 1.00 0.00 H new ATOM 0 HG SER A 85 9.147 19.872 0.689 1.00 0.00 H new ATOM 1238 N GLY A 86 6.787 18.688 -2.521 1.00 0.00 N ATOM 1239 CA GLY A 86 7.134 17.914 -3.699 1.00 0.00 C ATOM 1240 C GLY A 86 6.196 16.744 -3.920 1.00 0.00 C ATOM 1241 O GLY A 86 4.991 16.856 -3.695 1.00 0.00 O ATOM 0 H GLY A 86 6.385 18.147 -1.755 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.114 18.562 -4.575 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.154 17.544 -3.599 1.00 0.00 H new ATOM 1245 N GLU A 87 6.749 15.619 -4.363 1.00 0.00 N ATOM 1246 CA GLU A 87 5.952 14.425 -4.617 1.00 0.00 C ATOM 1247 C GLU A 87 6.847 13.230 -4.934 1.00 0.00 C ATOM 1248 O GLU A 87 7.680 13.286 -5.839 1.00 0.00 O ATOM 1249 CB GLU A 87 4.980 14.669 -5.774 1.00 0.00 C ATOM 1250 CG GLU A 87 4.054 13.497 -6.048 1.00 0.00 C ATOM 1251 CD GLU A 87 3.310 13.637 -7.362 1.00 0.00 C ATOM 1252 OE1 GLU A 87 2.539 14.608 -7.508 1.00 0.00 O ATOM 1253 OE2 GLU A 87 3.499 12.774 -8.245 1.00 0.00 O ATOM 0 H GLU A 87 7.745 15.510 -4.553 1.00 0.00 H new ATOM 0 HA GLU A 87 5.383 14.202 -3.715 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.380 15.552 -5.553 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.550 14.889 -6.676 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.635 12.575 -6.060 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.334 13.410 -5.234 1.00 0.00 H new ATOM 1260 N THR A 88 6.670 12.149 -4.181 1.00 0.00 N ATOM 1261 CA THR A 88 7.462 10.942 -4.379 1.00 0.00 C ATOM 1262 C THR A 88 6.569 9.712 -4.497 1.00 0.00 C ATOM 1263 O THR A 88 5.468 9.677 -3.947 1.00 0.00 O ATOM 1264 CB THR A 88 8.459 10.729 -3.225 1.00 0.00 C ATOM 1265 OG1 THR A 88 9.279 9.585 -3.491 1.00 0.00 O ATOM 1266 CG2 THR A 88 7.728 10.539 -1.905 1.00 0.00 C ATOM 0 H THR A 88 5.985 12.085 -3.428 1.00 0.00 H new ATOM 0 HA THR A 88 8.016 11.076 -5.308 1.00 0.00 H new ATOM 0 HB THR A 88 9.087 11.617 -3.149 1.00 0.00 H new ATOM 0 HG1 THR A 88 9.911 9.457 -2.753 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.454 10.390 -1.105 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.128 11.423 -1.691 1.00 0.00 H new ATOM 0 HG23 THR A 88 7.078 9.667 -1.971 1.00 0.00 H new ATOM 1274 N SER A 89 7.050 8.704 -5.217 1.00 0.00 N ATOM 1275 CA SER A 89 6.293 7.472 -5.410 1.00 0.00 C ATOM 1276 C SER A 89 7.184 6.250 -5.210 1.00 0.00 C ATOM 1277 O SER A 89 8.402 6.322 -5.378 1.00 0.00 O ATOM 1278 CB SER A 89 5.674 7.443 -6.808 1.00 0.00 C ATOM 1279 OG SER A 89 6.676 7.445 -7.810 1.00 0.00 O ATOM 0 H SER A 89 7.961 8.716 -5.677 1.00 0.00 H new ATOM 0 HA SER A 89 5.496 7.444 -4.667 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.051 6.555 -6.915 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.023 8.307 -6.939 1.00 0.00 H new ATOM 0 HG SER A 89 6.254 7.424 -8.694 1.00 0.00 H new ATOM 1285 N TRP A 90 6.568 5.130 -4.851 1.00 0.00 N ATOM 1286 CA TRP A 90 7.305 3.891 -4.628 1.00 0.00 C ATOM 1287 C TRP A 90 6.827 2.795 -5.575 1.00 0.00 C ATOM 1288 O TRP A 90 5.970 3.029 -6.427 1.00 0.00 O ATOM 1289 CB TRP A 90 7.146 3.433 -3.177 1.00 0.00 C ATOM 1290 CG TRP A 90 8.329 2.669 -2.663 1.00 0.00 C ATOM 1291 CD1 TRP A 90 8.414 1.319 -2.476 1.00 0.00 C ATOM 1292 CD2 TRP A 90 9.593 3.212 -2.267 1.00 0.00 C ATOM 1293 NE1 TRP A 90 9.656 0.990 -1.988 1.00 0.00 N ATOM 1294 CE2 TRP A 90 10.398 2.133 -1.852 1.00 0.00 C ATOM 1295 CE3 TRP A 90 10.125 4.504 -2.225 1.00 0.00 C ATOM 1296 CZ2 TRP A 90 11.703 2.309 -1.400 1.00 0.00 C ATOM 1297 CZ3 TRP A 90 11.420 4.677 -1.777 1.00 0.00 C ATOM 1298 CH2 TRP A 90 12.198 3.585 -1.370 1.00 0.00 C ATOM 0 H TRP A 90 5.561 5.054 -4.708 1.00 0.00 H new ATOM 0 HA TRP A 90 8.359 4.084 -4.828 1.00 0.00 H new ATOM 0 HB2 TRP A 90 6.983 4.305 -2.544 1.00 0.00 H new ATOM 0 HB3 TRP A 90 6.256 2.809 -3.096 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.622 0.614 -2.681 1.00 0.00 H new ATOM 0 HE1 TRP A 90 9.974 0.047 -1.763 1.00 0.00 H new ATOM 0 HE3 TRP A 90 9.534 5.352 -2.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.304 1.469 -1.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.840 5.671 -1.740 1.00 0.00 H new ATOM 0 HH2 TRP A 90 13.208 3.753 -1.026 1.00 0.00 H new ATOM 1309 N SER A 91 7.387 1.600 -5.420 1.00 0.00 N ATOM 1310 CA SER A 91 7.019 0.469 -6.264 1.00 0.00 C ATOM 1311 C SER A 91 7.103 -0.841 -5.486 1.00 0.00 C ATOM 1312 O SER A 91 8.034 -1.055 -4.710 1.00 0.00 O ATOM 1313 CB SER A 91 7.930 0.405 -7.492 1.00 0.00 C ATOM 1314 OG SER A 91 9.271 0.137 -7.119 1.00 0.00 O ATOM 0 H SER A 91 8.097 1.390 -4.718 1.00 0.00 H new ATOM 0 HA SER A 91 5.989 0.611 -6.591 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.576 -0.371 -8.171 1.00 0.00 H new ATOM 0 HB3 SER A 91 7.882 1.349 -8.034 1.00 0.00 H new ATOM 0 HG SER A 91 9.832 0.099 -7.921 1.00 0.00 H new ATOM 1320 N ALA A 92 6.123 -1.712 -5.699 1.00 0.00 N ATOM 1321 CA ALA A 92 6.087 -3.002 -5.019 1.00 0.00 C ATOM 1322 C ALA A 92 5.057 -3.929 -5.657 1.00 0.00 C ATOM 1323 O ALA A 92 4.173 -3.482 -6.388 1.00 0.00 O ATOM 1324 CB ALA A 92 5.783 -2.810 -3.541 1.00 0.00 C ATOM 0 H ALA A 92 5.344 -1.549 -6.336 1.00 0.00 H new ATOM 0 HA ALA A 92 7.068 -3.467 -5.120 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.759 -3.781 -3.045 1.00 0.00 H new ATOM 0 HB2 ALA A 92 6.557 -2.190 -3.088 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.815 -2.321 -3.429 1.00 0.00 H new ATOM 1330 N VAL A 93 5.178 -5.222 -5.375 1.00 0.00 N ATOM 1331 CA VAL A 93 4.258 -6.213 -5.921 1.00 0.00 C ATOM 1332 C VAL A 93 3.701 -7.110 -4.822 1.00 0.00 C ATOM 1333 O VAL A 93 4.402 -7.450 -3.867 1.00 0.00 O ATOM 1334 CB VAL A 93 4.944 -7.090 -6.986 1.00 0.00 C ATOM 1335 CG1 VAL A 93 3.982 -8.146 -7.508 1.00 0.00 C ATOM 1336 CG2 VAL A 93 5.473 -6.229 -8.123 1.00 0.00 C ATOM 0 H VAL A 93 5.904 -5.608 -4.772 1.00 0.00 H new ATOM 0 HA VAL A 93 3.440 -5.663 -6.386 1.00 0.00 H new ATOM 0 HB VAL A 93 5.789 -7.600 -6.524 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.484 -8.756 -8.259 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.656 -8.781 -6.684 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.115 -7.659 -7.956 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.955 -6.864 -8.867 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.646 -5.690 -8.586 1.00 0.00 H new ATOM 0 HG23 VAL A 93 6.198 -5.515 -7.732 1.00 0.00 H new ATOM 1346 N LEU A 94 2.437 -7.492 -4.961 1.00 0.00 N ATOM 1347 CA LEU A 94 1.784 -8.351 -3.980 1.00 0.00 C ATOM 1348 C LEU A 94 1.268 -9.630 -4.633 1.00 0.00 C ATOM 1349 O LEU A 94 0.462 -9.582 -5.562 1.00 0.00 O ATOM 1350 CB LEU A 94 0.629 -7.606 -3.308 1.00 0.00 C ATOM 1351 CG LEU A 94 -0.412 -8.477 -2.604 1.00 0.00 C ATOM 1352 CD1 LEU A 94 0.088 -8.905 -1.233 1.00 0.00 C ATOM 1353 CD2 LEU A 94 -1.735 -7.734 -2.483 1.00 0.00 C ATOM 0 H LEU A 94 1.843 -7.220 -5.744 1.00 0.00 H new ATOM 0 HA LEU A 94 2.521 -8.623 -3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.046 -6.912 -2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.121 -7.007 -4.064 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.574 -9.372 -3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.666 -9.524 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.010 -9.476 -1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.280 -8.022 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.464 -8.369 -1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.588 -6.821 -1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.101 -7.479 -3.477 1.00 0.00 H new ATOM 1365 N ASP A 95 1.736 -10.770 -4.139 1.00 0.00 N ATOM 1366 CA ASP A 95 1.319 -12.062 -4.672 1.00 0.00 C ATOM 1367 C ASP A 95 0.362 -12.763 -3.712 1.00 0.00 C ATOM 1368 O ASP A 95 0.730 -13.097 -2.585 1.00 0.00 O ATOM 1369 CB ASP A 95 2.539 -12.948 -4.933 1.00 0.00 C ATOM 1370 CG ASP A 95 3.160 -12.691 -6.292 1.00 0.00 C ATOM 1371 OD1 ASP A 95 2.465 -12.894 -7.309 1.00 0.00 O ATOM 1372 OD2 ASP A 95 4.341 -12.287 -6.338 1.00 0.00 O ATOM 0 H ASP A 95 2.404 -10.826 -3.370 1.00 0.00 H new ATOM 0 HA ASP A 95 0.798 -11.888 -5.613 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.284 -12.773 -4.157 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.246 -13.995 -4.863 1.00 0.00 H new ATOM 1377 N VAL A 96 -0.867 -12.983 -4.166 1.00 0.00 N ATOM 1378 CA VAL A 96 -1.877 -13.644 -3.348 1.00 0.00 C ATOM 1379 C VAL A 96 -2.107 -15.078 -3.811 1.00 0.00 C ATOM 1380 O VAL A 96 -2.478 -15.320 -4.961 1.00 0.00 O ATOM 1381 CB VAL A 96 -3.216 -12.883 -3.385 1.00 0.00 C ATOM 1382 CG1 VAL A 96 -4.314 -13.701 -2.722 1.00 0.00 C ATOM 1383 CG2 VAL A 96 -3.075 -11.524 -2.716 1.00 0.00 C ATOM 0 H VAL A 96 -1.188 -12.713 -5.096 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.500 -13.652 -2.325 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.494 -12.723 -4.427 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.252 -13.147 -2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.431 -14.648 -3.249 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.046 -13.895 -1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.030 -11.000 -2.751 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.773 -11.659 -1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.320 -10.937 -3.239 1.00 0.00 H new ATOM 1393 N THR A 97 -1.886 -16.029 -2.909 1.00 0.00 N ATOM 1394 CA THR A 97 -2.068 -17.440 -3.225 1.00 0.00 C ATOM 1395 C THR A 97 -3.264 -18.020 -2.478 1.00 0.00 C ATOM 1396 O THR A 97 -3.923 -17.324 -1.708 1.00 0.00 O ATOM 1397 CB THR A 97 -0.812 -18.260 -2.875 1.00 0.00 C ATOM 1398 OG1 THR A 97 -0.392 -17.968 -1.538 1.00 0.00 O ATOM 1399 CG2 THR A 97 0.320 -17.957 -3.845 1.00 0.00 C ATOM 0 H THR A 97 -1.580 -15.847 -1.953 1.00 0.00 H new ATOM 0 HA THR A 97 -2.247 -17.504 -4.298 1.00 0.00 H new ATOM 0 HB THR A 97 -1.063 -19.318 -2.953 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.488 -18.367 -1.377 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.196 -18.548 -3.578 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.008 -18.209 -4.859 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.568 -16.897 -3.795 1.00 0.00 H new ATOM 1407 N GLU A 98 -3.537 -19.300 -2.713 1.00 0.00 N ATOM 1408 CA GLU A 98 -4.655 -19.973 -2.061 1.00 0.00 C ATOM 1409 C GLU A 98 -4.258 -20.469 -0.674 1.00 0.00 C ATOM 1410 O GLU A 98 -5.055 -20.429 0.263 1.00 0.00 O ATOM 1411 CB GLU A 98 -5.140 -21.146 -2.915 1.00 0.00 C ATOM 1412 CG GLU A 98 -5.843 -20.720 -4.193 1.00 0.00 C ATOM 1413 CD GLU A 98 -6.232 -21.898 -5.065 1.00 0.00 C ATOM 1414 OE1 GLU A 98 -7.057 -22.721 -4.616 1.00 0.00 O ATOM 1415 OE2 GLU A 98 -5.712 -21.996 -6.196 1.00 0.00 O ATOM 0 H GLU A 98 -3.001 -19.891 -3.349 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.466 -19.253 -1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.287 -21.774 -3.172 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.820 -21.758 -2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.737 -20.150 -3.939 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.190 -20.054 -4.758 1.00 0.00 H new ATOM 1422 N SER A 99 -3.020 -20.937 -0.551 1.00 0.00 N ATOM 1423 CA SER A 99 -2.518 -21.445 0.720 1.00 0.00 C ATOM 1424 C SER A 99 -1.682 -20.388 1.436 1.00 0.00 C ATOM 1425 O SER A 99 -1.910 -20.089 2.607 1.00 0.00 O ATOM 1426 CB SER A 99 -1.681 -22.706 0.494 1.00 0.00 C ATOM 1427 OG SER A 99 -2.452 -23.728 -0.113 1.00 0.00 O ATOM 0 H SER A 99 -2.346 -20.975 -1.316 1.00 0.00 H new ATOM 0 HA SER A 99 -3.374 -21.693 1.348 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.824 -22.469 -0.137 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.287 -23.060 1.447 1.00 0.00 H new ATOM 0 HG SER A 99 -1.894 -24.522 -0.248 1.00 0.00 H new ATOM 1433 N GLY A 100 -0.713 -19.825 0.721 1.00 0.00 N ATOM 1434 CA GLY A 100 0.143 -18.807 1.303 1.00 0.00 C ATOM 1435 C GLY A 100 0.419 -19.053 2.773 1.00 0.00 C ATOM 1436 O GLY A 100 0.991 -18.203 3.455 1.00 0.00 O ATOM 0 H GLY A 100 -0.505 -20.055 -0.251 1.00 0.00 H new ATOM 0 HA2 GLY A 100 1.087 -18.776 0.759 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -0.326 -17.830 1.183 1.00 0.00 H new TER 1440 GLY A 100