USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 728 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 NoAdj-H: A 33 ASP H : A 33 ASP N : A 98 SER N :(H bumps) USER MOD NoAdj-H: A 98 SER H : A 98 SER N : A 33 ASP N :(H bumps) USER MOD Set 1.1: A 27 GLN : amide:sc= -0.0935 X(o=0.34,f=0.44) USER MOD Set 1.2: A 32 TYR OH : rot 0:sc= 0.436 USER MOD Single : A 1 ALA N :NH3+ 139:sc= 0.0839 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -2.49! USER MOD Single : A 8 THR OG1 : rot -138:sc= -5.77! USER MOD Single : A 10 SER OG : rot 41:sc= -0.679! USER MOD Single : A 11 SER OG : rot 48:sc= 0.756 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 88:sc= 1.06 USER MOD Single : A 20 LYS NZ :NH3+ -153:sc= -0.0329 (180deg=-0.539) USER MOD Single : A 30 THR OG1 : rot -170:sc=-0.00888 USER MOD Single : A 36 GLN : amide:sc= -24.5! C(o=-25!,f=-24!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -5.28! C(o=-5.3!,f=-22!) USER MOD Single : A 53 SER OG : rot 180:sc=-0.00469 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.036 X(o=-0.036,f=-0.26) USER MOD Single : A 62 SER OG : rot 24:sc= 0.192 USER MOD Single : A 64 SER OG : rot 180:sc= -0.306 USER MOD Single : A 65 THR OG1 : rot 52:sc= -0.501 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 100:sc= -5.81! USER MOD Single : A 72 SER OG : rot 52:sc= -1.22 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.151 USER MOD Single : A 89 THR OG1 : rot 140:sc= 0.0523 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0756 K(o=-0.076,f=-1.8!) USER MOD Single : A 98 SER OG : rot 23:sc= 0.00158 USER MOD Single : A 103 ASN :FLIP amide:sc= -9.4! C(o=-10!,f=-9.4!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN :FLIP amide:sc= -3.61! C(o=-4.5!,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.843 13.250 -7.914 1.00 0.00 N ATOM 2 CA ALA A 1 2.226 13.314 -7.485 1.00 0.00 C ATOM 3 C ALA A 1 2.388 12.581 -6.160 1.00 0.00 C ATOM 4 O ALA A 1 1.449 12.507 -5.371 1.00 0.00 O ATOM 5 CB ALA A 1 2.650 14.773 -7.351 1.00 0.00 C ATOM 0 H1 ALA A 1 0.558 14.171 -8.305 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.740 12.517 -8.644 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.238 13.017 -7.101 1.00 0.00 H new ATOM 0 HA ALA A 1 2.864 12.832 -8.226 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.690 14.821 -7.028 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.545 15.272 -8.314 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.018 15.269 -6.614 1.00 0.00 H new ATOM 11 N ALA A 2 3.584 12.040 -5.918 1.00 0.00 N ATOM 12 CA ALA A 2 3.862 11.317 -4.694 1.00 0.00 C ATOM 13 C ALA A 2 5.126 11.865 -4.046 1.00 0.00 C ATOM 14 O ALA A 2 6.063 12.252 -4.740 1.00 0.00 O ATOM 15 CB ALA A 2 4.016 9.831 -5.006 1.00 0.00 C ATOM 0 H ALA A 2 4.373 12.094 -6.562 1.00 0.00 H new ATOM 0 HA ALA A 2 3.035 11.445 -3.996 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.225 9.286 -4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.094 9.455 -5.449 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.839 9.690 -5.707 1.00 0.00 H new ATOM 21 N PRO A 3 5.149 11.898 -2.712 1.00 0.00 N ATOM 22 CA PRO A 3 6.263 12.385 -1.927 1.00 0.00 C ATOM 23 C PRO A 3 7.409 11.385 -1.993 1.00 0.00 C ATOM 24 O PRO A 3 7.315 10.375 -2.687 1.00 0.00 O ATOM 25 CB PRO A 3 5.719 12.501 -0.505 1.00 0.00 C ATOM 26 CG PRO A 3 4.656 11.404 -0.458 1.00 0.00 C ATOM 27 CD PRO A 3 4.064 11.452 -1.865 1.00 0.00 C ATOM 0 HA PRO A 3 6.651 13.338 -2.286 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.498 12.341 0.240 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.293 13.486 -0.314 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.089 10.429 -0.234 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.903 11.602 0.305 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.699 10.472 -2.174 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.218 12.137 -1.914 1.00 0.00 H new ATOM 35 N THR A 4 8.494 11.667 -1.268 1.00 0.00 N ATOM 36 CA THR A 4 9.647 10.791 -1.251 1.00 0.00 C ATOM 37 C THR A 4 9.612 9.910 -0.011 1.00 0.00 C ATOM 38 O THR A 4 9.810 10.393 1.102 1.00 0.00 O ATOM 39 CB THR A 4 10.922 11.630 -1.283 1.00 0.00 C ATOM 40 OG1 THR A 4 11.245 11.943 -2.619 1.00 0.00 O ATOM 41 CG2 THR A 4 12.067 10.839 -0.655 1.00 0.00 C ATOM 0 H THR A 4 8.589 12.500 -0.687 1.00 0.00 H new ATOM 0 HA THR A 4 9.629 10.145 -2.129 1.00 0.00 H new ATOM 0 HB THR A 4 10.765 12.551 -0.722 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.062 12.483 -2.640 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.978 11.437 -0.677 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.818 10.596 0.378 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.224 9.918 -1.217 1.00 0.00 H new ATOM 49 N ALA A 5 9.359 8.614 -0.206 1.00 0.00 N ATOM 50 CA ALA A 5 9.297 7.673 0.895 1.00 0.00 C ATOM 51 C ALA A 5 10.206 6.486 0.609 1.00 0.00 C ATOM 52 O ALA A 5 10.276 6.014 -0.524 1.00 0.00 O ATOM 53 CB ALA A 5 7.855 7.216 1.092 1.00 0.00 C ATOM 0 H ALA A 5 9.194 8.199 -1.123 1.00 0.00 H new ATOM 0 HA ALA A 5 9.639 8.155 1.811 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.807 6.508 1.920 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.227 8.079 1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.498 6.734 0.182 1.00 0.00 H new ATOM 59 N THR A 6 10.904 6.003 1.640 1.00 0.00 N ATOM 60 CA THR A 6 11.801 4.875 1.490 1.00 0.00 C ATOM 61 C THR A 6 11.127 3.606 1.992 1.00 0.00 C ATOM 62 O THR A 6 10.894 3.456 3.189 1.00 0.00 O ATOM 63 CB THR A 6 13.089 5.145 2.262 1.00 0.00 C ATOM 64 OG1 THR A 6 12.789 5.854 3.443 1.00 0.00 O ATOM 65 CG2 THR A 6 14.036 5.975 1.398 1.00 0.00 C ATOM 0 H THR A 6 10.859 6.382 2.586 1.00 0.00 H new ATOM 0 HA THR A 6 12.045 4.738 0.437 1.00 0.00 H new ATOM 0 HB THR A 6 13.565 4.198 2.517 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.616 6.026 3.940 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.956 6.168 1.949 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.268 5.428 0.484 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.560 6.922 1.143 1.00 0.00 H new ATOM 73 N VAL A 7 10.815 2.691 1.072 1.00 0.00 N ATOM 74 CA VAL A 7 10.172 1.441 1.423 1.00 0.00 C ATOM 75 C VAL A 7 11.178 0.303 1.338 1.00 0.00 C ATOM 76 O VAL A 7 12.114 0.357 0.543 1.00 0.00 O ATOM 77 CB VAL A 7 8.995 1.195 0.484 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.201 -0.014 0.970 1.00 0.00 C ATOM 79 CG2 VAL A 7 8.091 2.424 0.468 1.00 0.00 C ATOM 0 H VAL A 7 11.002 2.801 0.075 1.00 0.00 H new ATOM 0 HA VAL A 7 9.799 1.493 2.446 1.00 0.00 H new ATOM 0 HB VAL A 7 9.367 1.005 -0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.360 -0.190 0.300 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.846 -0.892 0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.829 0.176 1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 7 7.250 2.248 -0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.719 2.615 1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.658 3.288 0.121 1.00 0.00 H new ATOM 89 N THR A 8 10.984 -0.732 2.159 1.00 0.00 N ATOM 90 CA THR A 8 11.875 -1.874 2.168 1.00 0.00 C ATOM 91 C THR A 8 11.750 -2.640 0.859 1.00 0.00 C ATOM 92 O THR A 8 10.918 -2.306 0.018 1.00 0.00 O ATOM 93 CB THR A 8 11.536 -2.773 3.354 1.00 0.00 C ATOM 94 OG1 THR A 8 12.726 -3.276 3.918 1.00 0.00 O ATOM 95 CG2 THR A 8 10.667 -3.935 2.881 1.00 0.00 C ATOM 0 H THR A 8 10.213 -0.794 2.824 1.00 0.00 H new ATOM 0 HA THR A 8 12.906 -1.533 2.268 1.00 0.00 H new ATOM 0 HB THR A 8 10.994 -2.196 4.103 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.608 -4.223 4.141 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.425 -4.577 3.728 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.746 -3.547 2.445 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.208 -4.512 2.131 1.00 0.00 H new ATOM 103 N PRO A 9 12.580 -3.671 0.689 1.00 0.00 N ATOM 104 CA PRO A 9 12.605 -4.513 -0.488 1.00 0.00 C ATOM 105 C PRO A 9 11.375 -5.410 -0.500 1.00 0.00 C ATOM 106 O PRO A 9 11.186 -6.218 0.406 1.00 0.00 O ATOM 107 CB PRO A 9 13.883 -5.338 -0.353 1.00 0.00 C ATOM 108 CG PRO A 9 14.053 -5.453 1.161 1.00 0.00 C ATOM 109 CD PRO A 9 13.570 -4.091 1.657 1.00 0.00 C ATOM 0 HA PRO A 9 12.593 -3.943 -1.417 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.785 -6.316 -0.824 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.735 -4.843 -0.819 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.459 -6.268 1.574 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.090 -5.641 1.439 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.140 -4.164 2.656 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.392 -3.378 1.716 1.00 0.00 H new ATOM 117 N SER A 10 10.538 -5.265 -1.530 1.00 0.00 N ATOM 118 CA SER A 10 9.334 -6.060 -1.653 1.00 0.00 C ATOM 119 C SER A 10 9.451 -6.994 -2.849 1.00 0.00 C ATOM 120 O SER A 10 8.531 -7.087 -3.659 1.00 0.00 O ATOM 121 CB SER A 10 8.128 -5.137 -1.802 1.00 0.00 C ATOM 122 OG SER A 10 8.125 -4.575 -3.096 1.00 0.00 O ATOM 0 H SER A 10 10.681 -4.599 -2.289 1.00 0.00 H new ATOM 0 HA SER A 10 9.202 -6.666 -0.757 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.207 -5.694 -1.634 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.165 -4.348 -1.051 1.00 0.00 H new ATOM 0 HG SER A 10 8.382 -5.258 -3.750 1.00 0.00 H new ATOM 128 N SER A 11 10.586 -7.687 -2.959 1.00 0.00 N ATOM 129 CA SER A 11 10.816 -8.609 -4.053 1.00 0.00 C ATOM 130 C SER A 11 11.208 -9.973 -3.505 1.00 0.00 C ATOM 131 O SER A 11 12.319 -10.150 -3.010 1.00 0.00 O ATOM 132 CB SER A 11 11.909 -8.056 -4.962 1.00 0.00 C ATOM 133 OG SER A 11 13.078 -7.830 -4.207 1.00 0.00 O ATOM 0 H SER A 11 11.358 -7.621 -2.296 1.00 0.00 H new ATOM 0 HA SER A 11 9.902 -8.724 -4.635 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.115 -8.758 -5.770 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.577 -7.127 -5.425 1.00 0.00 H new ATOM 0 HG SER A 11 13.269 -8.618 -3.657 1.00 0.00 H new ATOM 139 N GLY A 12 10.293 -10.941 -3.595 1.00 0.00 N ATOM 140 CA GLY A 12 10.553 -12.282 -3.108 1.00 0.00 C ATOM 141 C GLY A 12 10.114 -12.410 -1.656 1.00 0.00 C ATOM 142 O GLY A 12 10.654 -13.225 -0.911 1.00 0.00 O ATOM 0 H GLY A 12 9.367 -10.813 -4.002 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.021 -13.009 -3.722 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.616 -12.508 -3.195 1.00 0.00 H new ATOM 146 N LEU A 13 9.132 -11.600 -1.254 1.00 0.00 N ATOM 147 CA LEU A 13 8.626 -11.625 0.103 1.00 0.00 C ATOM 148 C LEU A 13 7.306 -12.381 0.149 1.00 0.00 C ATOM 149 O LEU A 13 6.421 -12.138 -0.669 1.00 0.00 O ATOM 150 CB LEU A 13 8.448 -10.195 0.606 1.00 0.00 C ATOM 151 CG LEU A 13 9.587 -9.326 0.081 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.870 -8.202 1.073 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.840 -10.180 -0.093 1.00 0.00 C ATOM 0 H LEU A 13 8.675 -10.918 -1.860 1.00 0.00 H new ATOM 0 HA LEU A 13 9.338 -12.138 0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.489 -9.797 0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.437 -10.180 1.696 1.00 0.00 H new ATOM 0 HG LEU A 13 9.303 -8.898 -0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.684 -7.582 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.975 -7.592 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.153 -8.629 2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.654 -9.560 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.124 -10.609 0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.638 -10.982 -0.803 1.00 0.00 H new ATOM 165 N SER A 14 7.174 -13.299 1.109 1.00 0.00 N ATOM 166 CA SER A 14 5.964 -14.082 1.255 1.00 0.00 C ATOM 167 C SER A 14 5.222 -13.656 2.514 1.00 0.00 C ATOM 168 O SER A 14 5.759 -12.913 3.333 1.00 0.00 O ATOM 169 CB SER A 14 6.322 -15.564 1.315 1.00 0.00 C ATOM 170 OG SER A 14 7.158 -15.801 2.425 1.00 0.00 O ATOM 0 H SER A 14 7.898 -13.512 1.795 1.00 0.00 H new ATOM 0 HA SER A 14 5.312 -13.913 0.398 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.416 -16.165 1.394 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.825 -15.865 0.396 1.00 0.00 H new ATOM 0 HG SER A 14 7.387 -16.753 2.465 1.00 0.00 H new ATOM 176 N ASP A 15 3.983 -14.129 2.668 1.00 0.00 N ATOM 177 CA ASP A 15 3.175 -13.795 3.824 1.00 0.00 C ATOM 178 C ASP A 15 4.013 -13.916 5.089 1.00 0.00 C ATOM 179 O ASP A 15 4.822 -14.832 5.215 1.00 0.00 O ATOM 180 CB ASP A 15 1.967 -14.725 3.884 1.00 0.00 C ATOM 181 CG ASP A 15 2.322 -16.035 4.572 1.00 0.00 C ATOM 182 OD1 ASP A 15 2.538 -15.989 5.803 1.00 0.00 O ATOM 183 OD2 ASP A 15 2.372 -17.058 3.855 1.00 0.00 O ATOM 0 H ASP A 15 3.523 -14.747 1.999 1.00 0.00 H new ATOM 0 HA ASP A 15 2.822 -12.767 3.743 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.154 -14.237 4.421 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.607 -14.926 2.875 1.00 0.00 H new ATOM 188 N GLY A 16 3.818 -12.987 6.028 1.00 0.00 N ATOM 189 CA GLY A 16 4.557 -12.999 7.275 1.00 0.00 C ATOM 190 C GLY A 16 5.649 -11.939 7.250 1.00 0.00 C ATOM 191 O GLY A 16 6.122 -11.506 8.299 1.00 0.00 O ATOM 0 H GLY A 16 3.152 -12.220 5.940 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.880 -12.814 8.109 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.999 -13.983 7.435 1.00 0.00 H new ATOM 195 N THR A 17 6.051 -11.521 6.047 1.00 0.00 N ATOM 196 CA THR A 17 7.083 -10.515 5.897 1.00 0.00 C ATOM 197 C THR A 17 6.509 -9.135 6.185 1.00 0.00 C ATOM 198 O THR A 17 5.372 -8.844 5.822 1.00 0.00 O ATOM 199 CB THR A 17 7.651 -10.579 4.482 1.00 0.00 C ATOM 200 OG1 THR A 17 8.157 -11.872 4.237 1.00 0.00 O ATOM 201 CG2 THR A 17 8.775 -9.557 4.338 1.00 0.00 C ATOM 0 H THR A 17 5.671 -11.870 5.167 1.00 0.00 H new ATOM 0 HA THR A 17 7.887 -10.706 6.608 1.00 0.00 H new ATOM 0 HB THR A 17 6.863 -10.355 3.763 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.440 -12.444 3.893 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.181 -9.603 3.327 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.384 -8.557 4.527 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.564 -9.780 5.056 1.00 0.00 H new ATOM 209 N VAL A 18 7.301 -8.284 6.842 1.00 0.00 N ATOM 210 CA VAL A 18 6.871 -6.942 7.176 1.00 0.00 C ATOM 211 C VAL A 18 7.705 -5.927 6.406 1.00 0.00 C ATOM 212 O VAL A 18 8.885 -5.744 6.696 1.00 0.00 O ATOM 213 CB VAL A 18 7.007 -6.724 8.680 1.00 0.00 C ATOM 214 CG1 VAL A 18 8.484 -6.733 9.064 1.00 0.00 C ATOM 215 CG2 VAL A 18 6.391 -5.380 9.057 1.00 0.00 C ATOM 0 H VAL A 18 8.246 -8.511 7.150 1.00 0.00 H new ATOM 0 HA VAL A 18 5.826 -6.811 6.897 1.00 0.00 H new ATOM 0 HB VAL A 18 6.489 -7.523 9.211 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.582 -6.577 10.138 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.924 -7.693 8.795 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.003 -5.935 8.533 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.488 -5.224 10.131 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.908 -4.581 8.526 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.336 -5.374 8.783 1.00 0.00 H new ATOM 225 N VAL A 19 7.088 -5.268 5.423 1.00 0.00 N ATOM 226 CA VAL A 19 7.774 -4.277 4.619 1.00 0.00 C ATOM 227 C VAL A 19 7.908 -2.980 5.403 1.00 0.00 C ATOM 228 O VAL A 19 7.228 -2.787 6.408 1.00 0.00 O ATOM 229 CB VAL A 19 6.999 -4.048 3.324 1.00 0.00 C ATOM 230 CG1 VAL A 19 6.654 -5.394 2.693 1.00 0.00 C ATOM 231 CG2 VAL A 19 5.712 -3.286 3.630 1.00 0.00 C ATOM 0 H VAL A 19 6.110 -5.410 5.170 1.00 0.00 H new ATOM 0 HA VAL A 19 8.774 -4.633 4.371 1.00 0.00 H new ATOM 0 HB VAL A 19 7.610 -3.468 2.632 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.101 -5.231 1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.572 -5.940 2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.043 -5.974 3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.158 -3.122 2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.101 -3.867 4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.957 -2.325 4.082 1.00 0.00 H new ATOM 241 N LYS A 20 8.789 -2.089 4.942 1.00 0.00 N ATOM 242 CA LYS A 20 9.006 -0.818 5.602 1.00 0.00 C ATOM 243 C LYS A 20 8.596 0.322 4.680 1.00 0.00 C ATOM 244 O LYS A 20 8.690 0.201 3.461 1.00 0.00 O ATOM 245 CB LYS A 20 10.476 -0.693 5.995 1.00 0.00 C ATOM 246 CG LYS A 20 10.578 -0.116 7.404 1.00 0.00 C ATOM 247 CD LYS A 20 10.633 1.407 7.327 1.00 0.00 C ATOM 248 CE LYS A 20 11.426 1.948 8.513 1.00 0.00 C ATOM 249 NZ LYS A 20 12.322 3.038 8.096 1.00 0.00 N ATOM 0 H LYS A 20 9.361 -2.234 4.110 1.00 0.00 H new ATOM 0 HA LYS A 20 8.396 -0.766 6.504 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.959 -1.669 5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.999 -0.049 5.288 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.721 -0.430 8.000 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.469 -0.498 7.901 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.099 1.718 6.392 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.624 1.819 7.332 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.740 2.310 9.279 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.010 1.144 8.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.138 3.082 8.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.655 2.862 7.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.808 3.941 8.127 1.00 0.00 H new ATOM 263 N VAL A 21 8.141 1.432 5.267 1.00 0.00 N ATOM 264 CA VAL A 21 7.720 2.585 4.498 1.00 0.00 C ATOM 265 C VAL A 21 8.042 3.860 5.265 1.00 0.00 C ATOM 266 O VAL A 21 7.488 4.099 6.336 1.00 0.00 O ATOM 267 CB VAL A 21 6.224 2.488 4.214 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.456 3.317 5.239 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.937 3.019 2.812 1.00 0.00 C ATOM 0 H VAL A 21 8.058 1.548 6.277 1.00 0.00 H new ATOM 0 HA VAL A 21 8.255 2.610 3.549 1.00 0.00 H new ATOM 0 HB VAL A 21 5.909 1.447 4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.387 3.248 5.036 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.660 2.938 6.240 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.771 4.359 5.174 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.868 2.950 2.608 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.253 4.060 2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.485 2.426 2.079 1.00 0.00 H new ATOM 279 N ALA A 22 8.940 4.680 4.714 1.00 0.00 N ATOM 280 CA ALA A 22 9.330 5.923 5.347 1.00 0.00 C ATOM 281 C ALA A 22 9.119 7.082 4.383 1.00 0.00 C ATOM 282 O ALA A 22 9.751 7.138 3.330 1.00 0.00 O ATOM 283 CB ALA A 22 10.791 5.837 5.778 1.00 0.00 C ATOM 0 H ALA A 22 9.408 4.496 3.826 1.00 0.00 H new ATOM 0 HA ALA A 22 8.714 6.095 6.230 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.085 6.772 6.254 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.914 5.016 6.484 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.418 5.662 4.904 1.00 0.00 H new ATOM 289 N GLY A 23 8.228 8.008 4.743 1.00 0.00 N ATOM 290 CA GLY A 23 7.943 9.156 3.906 1.00 0.00 C ATOM 291 C GLY A 23 8.961 10.259 4.159 1.00 0.00 C ATOM 292 O GLY A 23 9.458 10.405 5.273 1.00 0.00 O ATOM 0 H GLY A 23 7.695 7.978 5.612 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.966 8.864 2.856 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.938 9.525 4.112 1.00 0.00 H new ATOM 296 N ALA A 24 9.270 11.037 3.118 1.00 0.00 N ATOM 297 CA ALA A 24 10.226 12.120 3.231 1.00 0.00 C ATOM 298 C ALA A 24 9.861 13.232 2.259 1.00 0.00 C ATOM 299 O ALA A 24 9.961 13.058 1.047 1.00 0.00 O ATOM 300 CB ALA A 24 11.629 11.590 2.945 1.00 0.00 C ATOM 0 H ALA A 24 8.865 10.929 2.188 1.00 0.00 H new ATOM 0 HA ALA A 24 10.204 12.527 4.242 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.350 12.404 3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.877 10.810 3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.664 11.178 1.936 1.00 0.00 H new ATOM 306 N GLY A 25 9.437 14.380 2.793 1.00 0.00 N ATOM 307 CA GLY A 25 9.060 15.510 1.968 1.00 0.00 C ATOM 308 C GLY A 25 7.546 15.578 1.824 1.00 0.00 C ATOM 309 O GLY A 25 7.033 16.289 0.963 1.00 0.00 O ATOM 0 H GLY A 25 9.349 14.543 3.796 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.432 16.433 2.412 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.522 15.421 0.985 1.00 0.00 H new ATOM 313 N LEU A 26 6.832 14.834 2.672 1.00 0.00 N ATOM 314 CA LEU A 26 5.383 14.812 2.636 1.00 0.00 C ATOM 315 C LEU A 26 4.827 15.902 3.541 1.00 0.00 C ATOM 316 O LEU A 26 5.579 16.562 4.256 1.00 0.00 O ATOM 317 CB LEU A 26 4.885 13.438 3.076 1.00 0.00 C ATOM 318 CG LEU A 26 6.062 12.470 3.150 1.00 0.00 C ATOM 319 CD1 LEU A 26 6.756 12.614 4.501 1.00 0.00 C ATOM 320 CD2 LEU A 26 5.555 11.040 2.988 1.00 0.00 C ATOM 0 H LEU A 26 7.243 14.240 3.392 1.00 0.00 H new ATOM 0 HA LEU A 26 5.038 15.001 1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.398 13.510 4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.139 13.067 2.373 1.00 0.00 H new ATOM 0 HG LEU A 26 6.770 12.697 2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.597 11.922 4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.119 13.635 4.617 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.049 12.387 5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.395 10.348 3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.847 10.813 3.785 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.060 10.937 2.022 1.00 0.00 H new ATOM 332 N GLN A 27 3.506 16.090 3.510 1.00 0.00 N ATOM 333 CA GLN A 27 2.859 17.098 4.325 1.00 0.00 C ATOM 334 C GLN A 27 3.198 16.873 5.792 1.00 0.00 C ATOM 335 O GLN A 27 2.891 15.820 6.347 1.00 0.00 O ATOM 336 CB GLN A 27 1.350 17.037 4.103 1.00 0.00 C ATOM 337 CG GLN A 27 1.020 17.540 2.701 1.00 0.00 C ATOM 338 CD GLN A 27 -0.463 17.377 2.401 1.00 0.00 C ATOM 339 OE1 GLN A 27 -1.173 18.364 2.218 1.00 0.00 O ATOM 340 NE2 GLN A 27 -0.931 16.128 2.352 1.00 0.00 N ATOM 0 H GLN A 27 2.869 15.551 2.924 1.00 0.00 H new ATOM 0 HA GLN A 27 3.216 18.087 4.039 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.995 16.014 4.227 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.837 17.645 4.849 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.300 18.590 2.612 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.607 16.990 1.965 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.302 15.341 2.511 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.918 15.960 2.156 1.00 0.00 H new ATOM 349 N ALA A 28 3.832 17.866 6.419 1.00 0.00 N ATOM 350 CA ALA A 28 4.210 17.772 7.814 1.00 0.00 C ATOM 351 C ALA A 28 2.973 17.897 8.692 1.00 0.00 C ATOM 352 O ALA A 28 2.168 18.806 8.508 1.00 0.00 O ATOM 353 CB ALA A 28 5.219 18.868 8.143 1.00 0.00 C ATOM 0 H ALA A 28 4.092 18.745 5.972 1.00 0.00 H new ATOM 0 HA ALA A 28 4.672 16.803 8.005 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.504 18.797 9.193 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.104 18.747 7.518 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.771 19.844 7.953 1.00 0.00 H new ATOM 359 N GLY A 29 2.822 16.979 9.650 1.00 0.00 N ATOM 360 CA GLY A 29 1.684 16.995 10.547 1.00 0.00 C ATOM 361 C GLY A 29 0.443 16.476 9.835 1.00 0.00 C ATOM 362 O GLY A 29 -0.659 16.543 10.374 1.00 0.00 O ATOM 0 H GLY A 29 3.480 16.218 9.818 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.893 16.380 11.422 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.509 18.010 10.905 1.00 0.00 H new ATOM 366 N THR A 30 0.625 15.958 8.618 1.00 0.00 N ATOM 367 CA THR A 30 -0.480 15.432 7.842 1.00 0.00 C ATOM 368 C THR A 30 -0.594 13.929 8.053 1.00 0.00 C ATOM 369 O THR A 30 0.416 13.234 8.142 1.00 0.00 O ATOM 370 CB THR A 30 -0.264 15.756 6.366 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.244 16.675 5.938 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.374 14.475 5.543 1.00 0.00 C ATOM 0 H THR A 30 1.532 15.895 8.156 1.00 0.00 H new ATOM 0 HA THR A 30 -1.411 15.895 8.171 1.00 0.00 H new ATOM 0 HB THR A 30 0.726 16.191 6.231 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.206 16.763 4.963 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.220 14.705 4.489 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.383 13.764 5.873 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.364 14.040 5.678 1.00 0.00 H new ATOM 380 N ALA A 31 -1.829 13.429 8.133 1.00 0.00 N ATOM 381 CA ALA A 31 -2.069 12.014 8.334 1.00 0.00 C ATOM 382 C ALA A 31 -2.029 11.289 6.996 1.00 0.00 C ATOM 383 O ALA A 31 -2.356 11.870 5.964 1.00 0.00 O ATOM 384 CB ALA A 31 -3.421 11.820 9.014 1.00 0.00 C ATOM 0 H ALA A 31 -2.676 13.993 8.060 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.292 11.596 8.974 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.603 10.756 9.166 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.420 12.329 9.978 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.208 12.236 8.385 1.00 0.00 H new ATOM 390 N TYR A 32 -1.626 10.017 7.016 1.00 0.00 N ATOM 391 CA TYR A 32 -1.544 9.224 5.806 1.00 0.00 C ATOM 392 C TYR A 32 -2.117 7.837 6.058 1.00 0.00 C ATOM 393 O TYR A 32 -1.907 7.260 7.123 1.00 0.00 O ATOM 394 CB TYR A 32 -0.088 9.134 5.356 1.00 0.00 C ATOM 395 CG TYR A 32 0.415 10.391 4.687 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.265 10.916 3.582 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.560 11.032 5.174 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.201 12.081 2.962 1.00 0.00 C ATOM 399 CE2 TYR A 32 2.026 12.198 4.554 1.00 0.00 C ATOM 400 CZ TYR A 32 1.347 12.722 3.448 1.00 0.00 C ATOM 401 OH TYR A 32 1.800 13.858 2.845 1.00 0.00 O ATOM 0 H TYR A 32 -1.352 9.520 7.864 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.127 9.698 5.016 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.539 8.917 6.221 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.020 8.297 4.666 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.149 10.422 3.208 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.084 10.628 6.027 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.323 12.485 2.109 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.909 12.693 4.929 1.00 0.00 H new ATOM 0 HH TYR A 32 1.213 14.087 2.095 1.00 0.00 H new ATOM 411 N ASP A 33 -2.844 7.301 5.075 1.00 0.00 N ATOM 412 CA ASP A 33 -3.443 5.987 5.195 1.00 0.00 C ATOM 413 C ASP A 33 -2.630 4.975 4.401 1.00 0.00 C ATOM 414 O ASP A 33 -2.525 5.082 3.181 1.00 0.00 O ATOM 415 CB ASP A 33 -4.883 6.038 4.693 1.00 0.00 C ATOM 416 CG ASP A 33 -5.853 6.266 5.844 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.701 5.558 6.863 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.727 7.145 5.684 1.00 0.00 O ATOM 0 HA ASP A 33 -3.447 5.679 6.241 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.988 6.838 3.960 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.128 5.105 4.185 1.00 0.00 H new ATOM 423 N VAL A 34 -2.054 3.992 5.096 1.00 0.00 N ATOM 424 CA VAL A 34 -1.254 2.968 4.454 1.00 0.00 C ATOM 425 C VAL A 34 -2.019 1.653 4.437 1.00 0.00 C ATOM 426 O VAL A 34 -2.765 1.354 5.367 1.00 0.00 O ATOM 427 CB VAL A 34 0.069 2.815 5.199 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.207 2.678 4.192 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.306 4.044 6.071 1.00 0.00 C ATOM 0 H VAL A 34 -2.132 3.891 6.108 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.044 3.257 3.424 1.00 0.00 H new ATOM 0 HB VAL A 34 0.032 1.925 5.828 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.152 2.569 4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.038 1.800 3.569 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.245 3.567 3.563 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.251 3.936 6.604 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.344 4.934 5.443 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.507 4.142 6.791 1.00 0.00 H new ATOM 439 N GLY A 35 -1.834 0.864 3.375 1.00 0.00 N ATOM 440 CA GLY A 35 -2.508 -0.412 3.248 1.00 0.00 C ATOM 441 C GLY A 35 -2.010 -1.151 2.014 1.00 0.00 C ATOM 442 O GLY A 35 -1.423 -0.546 1.120 1.00 0.00 O ATOM 0 H GLY A 35 -1.220 1.095 2.594 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.330 -1.015 4.138 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.585 -0.257 3.178 1.00 0.00 H new ATOM 446 N GLN A 36 -2.246 -2.465 1.968 1.00 0.00 N ATOM 447 CA GLN A 36 -1.820 -3.278 0.846 1.00 0.00 C ATOM 448 C GLN A 36 -3.007 -3.566 -0.063 1.00 0.00 C ATOM 449 O GLN A 36 -3.995 -4.154 0.370 1.00 0.00 O ATOM 450 CB GLN A 36 -1.210 -4.577 1.366 1.00 0.00 C ATOM 451 CG GLN A 36 -1.247 -5.633 0.265 1.00 0.00 C ATOM 452 CD GLN A 36 -0.903 -7.008 0.820 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.701 -7.607 1.537 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.290 -7.506 0.487 1.00 0.00 N ATOM 0 H GLN A 36 -2.732 -2.982 2.701 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.067 -2.742 0.268 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.182 -4.406 1.686 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.762 -4.927 2.239 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.238 -5.657 -0.188 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.542 -5.368 -0.523 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.918 -6.969 -0.112 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.574 -8.423 0.831 1.00 0.00 H new ATOM 463 N CYS A 37 -2.906 -3.149 -1.328 1.00 0.00 N ATOM 464 CA CYS A 37 -3.967 -3.363 -2.291 1.00 0.00 C ATOM 465 C CYS A 37 -3.526 -4.393 -3.321 1.00 0.00 C ATOM 466 O CYS A 37 -2.353 -4.755 -3.377 1.00 0.00 O ATOM 467 CB CYS A 37 -4.317 -2.039 -2.964 1.00 0.00 C ATOM 468 SG CYS A 37 -5.658 -1.134 -2.154 1.00 0.00 S ATOM 0 H CYS A 37 -2.093 -2.660 -1.701 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.854 -3.742 -1.784 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.428 -1.408 -2.986 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.597 -2.232 -4.000 1.00 0.00 H new ATOM 473 N ALA A 38 -4.471 -4.864 -4.139 1.00 0.00 N ATOM 474 CA ALA A 38 -4.176 -5.848 -5.161 1.00 0.00 C ATOM 475 C ALA A 38 -5.147 -5.692 -6.322 1.00 0.00 C ATOM 476 O ALA A 38 -6.360 -5.726 -6.129 1.00 0.00 O ATOM 477 CB ALA A 38 -4.273 -7.247 -4.560 1.00 0.00 C ATOM 0 H ALA A 38 -5.448 -4.573 -4.106 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.164 -5.697 -5.537 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.051 -7.989 -5.327 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.556 -7.343 -3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.281 -7.410 -4.178 1.00 0.00 H new ATOM 483 N TRP A 39 -4.611 -5.519 -7.533 1.00 0.00 N ATOM 484 CA TRP A 39 -5.435 -5.360 -8.715 1.00 0.00 C ATOM 485 C TRP A 39 -6.224 -6.636 -8.971 1.00 0.00 C ATOM 486 O TRP A 39 -5.646 -7.713 -9.096 1.00 0.00 O ATOM 487 CB TRP A 39 -4.548 -5.023 -9.910 1.00 0.00 C ATOM 488 CG TRP A 39 -4.981 -5.631 -11.206 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.262 -5.828 -11.586 1.00 0.00 C ATOM 490 CD2 TRP A 39 -4.158 -6.128 -12.305 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.288 -6.408 -12.836 1.00 0.00 N ATOM 492 CE2 TRP A 39 -5.015 -6.616 -13.327 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.775 -6.216 -12.542 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.529 -7.162 -14.519 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.276 -6.762 -13.734 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.148 -7.235 -14.722 1.00 0.00 C ATOM 0 H TRP A 39 -3.607 -5.487 -7.712 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.143 -4.545 -8.563 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.516 -3.940 -10.026 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.531 -5.351 -9.693 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.132 -5.571 -11.000 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.142 -6.653 -13.336 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -2.085 -5.857 -11.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.212 -7.523 -15.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.209 -6.818 -13.891 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.755 -7.654 -15.637 1.00 0.00 H new ATOM 507 N VAL A 40 -7.552 -6.512 -9.049 1.00 0.00 N ATOM 508 CA VAL A 40 -8.413 -7.651 -9.290 1.00 0.00 C ATOM 509 C VAL A 40 -8.891 -7.639 -10.735 1.00 0.00 C ATOM 510 O VAL A 40 -8.894 -8.674 -11.398 1.00 0.00 O ATOM 511 CB VAL A 40 -9.598 -7.605 -8.329 1.00 0.00 C ATOM 512 CG1 VAL A 40 -9.116 -7.905 -6.913 1.00 0.00 C ATOM 513 CG2 VAL A 40 -10.229 -6.216 -8.367 1.00 0.00 C ATOM 0 H VAL A 40 -8.047 -5.626 -8.947 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.858 -8.574 -9.118 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.337 -8.349 -8.627 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.962 -7.872 -6.226 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.664 -8.896 -6.885 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.377 -7.161 -6.615 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.075 -6.182 -7.681 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.490 -5.472 -8.069 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.573 -6.000 -9.379 1.00 0.00 H new ATOM 523 N ASP A 41 -9.294 -6.464 -11.223 1.00 0.00 N ATOM 524 CA ASP A 41 -9.771 -6.325 -12.584 1.00 0.00 C ATOM 525 C ASP A 41 -9.218 -5.045 -13.195 1.00 0.00 C ATOM 526 O ASP A 41 -8.716 -4.181 -12.480 1.00 0.00 O ATOM 527 CB ASP A 41 -11.297 -6.311 -12.589 1.00 0.00 C ATOM 528 CG ASP A 41 -11.850 -7.568 -13.245 1.00 0.00 C ATOM 529 OD1 ASP A 41 -11.577 -8.659 -12.700 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.535 -7.414 -14.279 1.00 0.00 O ATOM 0 H ASP A 41 -9.296 -5.597 -10.686 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.427 -7.169 -13.182 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.667 -6.237 -11.566 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.655 -5.430 -13.122 1.00 0.00 H new ATOM 535 N THR A 42 -9.311 -4.924 -14.521 1.00 0.00 N ATOM 536 CA THR A 42 -8.820 -3.751 -15.215 1.00 0.00 C ATOM 537 C THR A 42 -9.394 -2.493 -14.578 1.00 0.00 C ATOM 538 O THR A 42 -10.596 -2.248 -14.658 1.00 0.00 O ATOM 539 CB THR A 42 -9.204 -3.834 -16.689 1.00 0.00 C ATOM 540 OG1 THR A 42 -8.395 -4.794 -17.332 1.00 0.00 O ATOM 541 CG2 THR A 42 -8.999 -2.473 -17.347 1.00 0.00 C ATOM 0 H THR A 42 -9.724 -5.631 -15.129 1.00 0.00 H new ATOM 0 HA THR A 42 -7.734 -3.709 -15.138 1.00 0.00 H new ATOM 0 HB THR A 42 -10.251 -4.124 -16.775 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.642 -4.849 -18.279 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.274 -2.533 -18.400 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.624 -1.731 -16.851 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.952 -2.181 -17.261 1.00 0.00 H new ATOM 549 N GLY A 43 -8.532 -1.695 -13.945 1.00 0.00 N ATOM 550 CA GLY A 43 -8.961 -0.470 -13.301 1.00 0.00 C ATOM 551 C GLY A 43 -9.765 -0.787 -12.047 1.00 0.00 C ATOM 552 O GLY A 43 -10.347 0.107 -11.437 1.00 0.00 O ATOM 0 H GLY A 43 -7.532 -1.883 -13.869 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.093 0.136 -13.041 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.566 0.119 -13.990 1.00 0.00 H new ATOM 556 N VAL A 44 -9.794 -2.066 -11.664 1.00 0.00 N ATOM 557 CA VAL A 44 -10.525 -2.495 -10.488 1.00 0.00 C ATOM 558 C VAL A 44 -9.578 -3.189 -9.519 1.00 0.00 C ATOM 559 O VAL A 44 -9.145 -4.311 -9.769 1.00 0.00 O ATOM 560 CB VAL A 44 -11.654 -3.432 -10.906 1.00 0.00 C ATOM 561 CG1 VAL A 44 -12.372 -3.950 -9.662 1.00 0.00 C ATOM 562 CG2 VAL A 44 -12.644 -2.674 -11.785 1.00 0.00 C ATOM 0 H VAL A 44 -9.315 -2.818 -12.159 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.957 -1.629 -9.986 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.241 -4.272 -11.464 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.179 -4.620 -9.960 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.665 -4.491 -9.033 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.785 -3.110 -9.104 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.451 -3.343 -12.084 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -13.057 -1.834 -11.227 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.132 -2.303 -12.673 1.00 0.00 H new ATOM 572 N LEU A 45 -9.258 -2.517 -8.410 1.00 0.00 N ATOM 573 CA LEU A 45 -8.366 -3.071 -7.411 1.00 0.00 C ATOM 574 C LEU A 45 -9.106 -3.232 -6.091 1.00 0.00 C ATOM 575 O LEU A 45 -10.158 -2.629 -5.889 1.00 0.00 O ATOM 576 CB LEU A 45 -7.157 -2.155 -7.245 1.00 0.00 C ATOM 577 CG LEU A 45 -7.517 -1.001 -6.315 1.00 0.00 C ATOM 578 CD1 LEU A 45 -7.223 -1.400 -4.871 1.00 0.00 C ATOM 579 CD2 LEU A 45 -6.689 0.227 -6.682 1.00 0.00 C ATOM 0 H LEU A 45 -9.610 -1.585 -8.189 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.019 -4.053 -7.732 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.316 -2.716 -6.837 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.843 -1.770 -8.215 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.577 -0.768 -6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.480 -0.575 -4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.815 -2.276 -4.608 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.163 -1.633 -4.767 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.947 1.051 -6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.629 -0.005 -6.579 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.899 0.513 -7.713 1.00 0.00 H new ATOM 591 N ALA A 46 -8.553 -4.048 -5.190 1.00 0.00 N ATOM 592 CA ALA A 46 -9.161 -4.284 -3.897 1.00 0.00 C ATOM 593 C ALA A 46 -8.145 -4.024 -2.794 1.00 0.00 C ATOM 594 O ALA A 46 -6.941 -4.091 -3.029 1.00 0.00 O ATOM 595 CB ALA A 46 -9.675 -5.719 -3.832 1.00 0.00 C ATOM 0 H ALA A 46 -7.681 -4.554 -5.342 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.002 -3.604 -3.756 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.133 -5.898 -2.859 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.416 -5.876 -4.616 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.844 -6.410 -3.974 1.00 0.00 H new ATOM 601 N CYS A 47 -8.634 -3.725 -1.588 1.00 0.00 N ATOM 602 CA CYS A 47 -7.769 -3.457 -0.457 1.00 0.00 C ATOM 603 C CYS A 47 -8.020 -4.483 0.639 1.00 0.00 C ATOM 604 O CYS A 47 -9.100 -5.066 0.710 1.00 0.00 O ATOM 605 CB CYS A 47 -8.029 -2.043 0.057 1.00 0.00 C ATOM 606 SG CYS A 47 -6.768 -0.840 -0.433 1.00 0.00 S ATOM 0 H CYS A 47 -9.630 -3.664 -1.378 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.726 -3.532 -0.766 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.999 -1.707 -0.309 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.090 -2.068 1.145 1.00 0.00 H new ATOM 611 N ASN A 48 -7.019 -4.704 1.494 1.00 0.00 N ATOM 612 CA ASN A 48 -7.139 -5.658 2.578 1.00 0.00 C ATOM 613 C ASN A 48 -7.125 -4.928 3.914 1.00 0.00 C ATOM 614 O ASN A 48 -6.114 -4.342 4.294 1.00 0.00 O ATOM 615 CB ASN A 48 -5.993 -6.662 2.499 1.00 0.00 C ATOM 616 CG ASN A 48 -5.953 -7.540 3.742 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.935 -7.623 4.477 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.814 -8.197 3.975 1.00 0.00 N ATOM 0 H ASN A 48 -6.117 -4.229 1.449 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.083 -6.195 2.491 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.111 -7.285 1.612 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.047 -6.132 2.393 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.732 -8.801 4.793 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.026 -8.095 3.335 1.00 0.00 H new ATOM 625 N PRO A 49 -8.253 -4.966 4.628 1.00 0.00 N ATOM 626 CA PRO A 49 -8.424 -4.334 5.918 1.00 0.00 C ATOM 627 C PRO A 49 -7.647 -5.108 6.973 1.00 0.00 C ATOM 628 O PRO A 49 -7.657 -4.744 8.146 1.00 0.00 O ATOM 629 CB PRO A 49 -9.926 -4.396 6.188 1.00 0.00 C ATOM 630 CG PRO A 49 -10.350 -5.666 5.452 1.00 0.00 C ATOM 631 CD PRO A 49 -9.460 -5.646 4.211 1.00 0.00 C ATOM 0 HA PRO A 49 -8.055 -3.309 5.941 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -10.143 -4.455 7.255 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.442 -3.515 5.806 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.184 -6.558 6.055 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.408 -5.649 5.192 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.244 -6.656 3.864 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.944 -5.122 3.387 1.00 0.00 H new ATOM 639 N ALA A 50 -6.974 -6.182 6.552 1.00 0.00 N ATOM 640 CA ALA A 50 -6.199 -7.002 7.461 1.00 0.00 C ATOM 641 C ALA A 50 -4.766 -6.492 7.522 1.00 0.00 C ATOM 642 O ALA A 50 -3.984 -6.933 8.362 1.00 0.00 O ATOM 643 CB ALA A 50 -6.237 -8.454 6.992 1.00 0.00 C ATOM 0 H ALA A 50 -6.956 -6.497 5.582 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.626 -6.946 8.462 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.654 -9.072 7.675 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.269 -8.804 6.976 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.815 -8.524 5.990 1.00 0.00 H new ATOM 649 N ASP A 51 -4.424 -5.561 6.629 1.00 0.00 N ATOM 650 CA ASP A 51 -3.089 -4.998 6.586 1.00 0.00 C ATOM 651 C ASP A 51 -3.173 -3.484 6.460 1.00 0.00 C ATOM 652 O ASP A 51 -2.269 -2.854 5.916 1.00 0.00 O ATOM 653 CB ASP A 51 -2.323 -5.597 5.410 1.00 0.00 C ATOM 654 CG ASP A 51 -3.142 -5.514 4.129 1.00 0.00 C ATOM 655 OD1 ASP A 51 -3.833 -4.486 3.963 1.00 0.00 O ATOM 656 OD2 ASP A 51 -3.060 -6.479 3.340 1.00 0.00 O ATOM 0 H ASP A 51 -5.061 -5.185 5.927 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.558 -5.237 7.508 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.379 -5.068 5.278 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.078 -6.638 5.623 1.00 0.00 H new ATOM 661 N PHE A 52 -4.262 -2.899 6.965 1.00 0.00 N ATOM 662 CA PHE A 52 -4.455 -1.465 6.906 1.00 0.00 C ATOM 663 C PHE A 52 -3.765 -0.801 8.089 1.00 0.00 C ATOM 664 O PHE A 52 -4.234 -0.903 9.221 1.00 0.00 O ATOM 665 CB PHE A 52 -5.949 -1.153 6.905 1.00 0.00 C ATOM 666 CG PHE A 52 -6.450 -0.605 5.591 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.581 0.100 4.749 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.784 -0.800 5.214 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.046 0.610 3.531 1.00 0.00 C ATOM 670 CE2 PHE A 52 -8.249 -0.290 3.996 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.380 0.415 3.154 1.00 0.00 C ATOM 0 H PHE A 52 -5.021 -3.407 7.419 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.015 -1.073 5.989 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.502 -2.061 7.145 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.162 -0.432 7.695 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.552 0.250 5.039 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.454 -1.344 5.863 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.376 1.154 2.882 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.278 -0.440 3.706 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.739 0.808 2.214 1.00 0.00 H new ATOM 681 N SER A 53 -2.648 -0.119 7.826 1.00 0.00 N ATOM 682 CA SER A 53 -1.902 0.557 8.869 1.00 0.00 C ATOM 683 C SER A 53 -2.167 2.054 8.805 1.00 0.00 C ATOM 684 O SER A 53 -2.790 2.537 7.862 1.00 0.00 O ATOM 685 CB SER A 53 -0.414 0.263 8.701 1.00 0.00 C ATOM 686 OG SER A 53 0.270 0.614 9.883 1.00 0.00 O ATOM 0 H SER A 53 -2.246 -0.025 6.893 1.00 0.00 H new ATOM 0 HA SER A 53 -2.223 0.193 9.845 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.264 -0.794 8.481 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.014 0.824 7.856 1.00 0.00 H new ATOM 0 HG SER A 53 1.226 0.424 9.777 1.00 0.00 H new ATOM 692 N SER A 54 -1.690 2.790 9.812 1.00 0.00 N ATOM 693 CA SER A 54 -1.876 4.226 9.863 1.00 0.00 C ATOM 694 C SER A 54 -0.655 4.882 10.492 1.00 0.00 C ATOM 695 O SER A 54 0.051 4.259 11.282 1.00 0.00 O ATOM 696 CB SER A 54 -3.134 4.547 10.664 1.00 0.00 C ATOM 697 OG SER A 54 -2.820 4.586 12.038 1.00 0.00 O ATOM 0 H SER A 54 -1.171 2.405 10.602 1.00 0.00 H new ATOM 0 HA SER A 54 -1.994 4.617 8.853 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.545 5.505 10.347 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.899 3.794 10.476 1.00 0.00 H new ATOM 0 HG SER A 54 -3.628 4.794 12.552 1.00 0.00 H new ATOM 703 N VAL A 55 -0.407 6.146 10.139 1.00 0.00 N ATOM 704 CA VAL A 55 0.724 6.880 10.669 1.00 0.00 C ATOM 705 C VAL A 55 0.567 8.362 10.359 1.00 0.00 C ATOM 706 O VAL A 55 -0.159 8.732 9.439 1.00 0.00 O ATOM 707 CB VAL A 55 2.014 6.335 10.061 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.925 6.397 8.539 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.195 7.175 10.537 1.00 0.00 C ATOM 0 H VAL A 55 -0.982 6.676 9.485 1.00 0.00 H new ATOM 0 HA VAL A 55 0.767 6.757 11.751 1.00 0.00 H new ATOM 0 HB VAL A 55 2.155 5.301 10.374 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.846 6.008 8.105 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.081 5.796 8.199 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.784 7.431 8.225 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.116 6.786 10.103 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.055 8.210 10.224 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.259 7.130 11.624 1.00 0.00 H new ATOM 719 N THR A 56 1.249 9.212 11.130 1.00 0.00 N ATOM 720 CA THR A 56 1.179 10.645 10.931 1.00 0.00 C ATOM 721 C THR A 56 2.583 11.221 10.810 1.00 0.00 C ATOM 722 O THR A 56 3.471 10.868 11.583 1.00 0.00 O ATOM 723 CB THR A 56 0.432 11.284 12.098 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.851 10.709 12.205 1.00 0.00 O ATOM 725 CG2 THR A 56 0.298 12.785 11.855 1.00 0.00 C ATOM 0 H THR A 56 1.855 8.923 11.898 1.00 0.00 H new ATOM 0 HA THR A 56 0.640 10.860 10.009 1.00 0.00 H new ATOM 0 HB THR A 56 0.985 11.113 13.021 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.331 11.118 12.955 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.236 13.242 12.688 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.290 13.230 11.771 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.256 12.956 10.932 1.00 0.00 H new ATOM 733 N ALA A 57 2.781 12.111 9.834 1.00 0.00 N ATOM 734 CA ALA A 57 4.073 12.730 9.616 1.00 0.00 C ATOM 735 C ALA A 57 4.356 13.737 10.722 1.00 0.00 C ATOM 736 O ALA A 57 3.460 14.463 11.146 1.00 0.00 O ATOM 737 CB ALA A 57 4.085 13.409 8.249 1.00 0.00 C ATOM 0 H ALA A 57 2.055 12.414 9.185 1.00 0.00 H new ATOM 0 HA ALA A 57 4.854 11.970 9.637 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.056 13.875 8.083 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.901 12.667 7.472 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.306 14.171 8.214 1.00 0.00 H new ATOM 743 N ASP A 58 5.606 13.779 11.188 1.00 0.00 N ATOM 744 CA ASP A 58 5.998 14.694 12.241 1.00 0.00 C ATOM 745 C ASP A 58 6.175 16.092 11.668 1.00 0.00 C ATOM 746 O ASP A 58 5.894 16.324 10.495 1.00 0.00 O ATOM 747 CB ASP A 58 7.294 14.204 12.882 1.00 0.00 C ATOM 748 CG ASP A 58 8.392 14.050 11.840 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.357 14.826 10.861 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.246 13.160 12.042 1.00 0.00 O ATOM 0 H ASP A 58 6.361 13.184 10.846 1.00 0.00 H new ATOM 0 HA ASP A 58 5.221 14.731 13.005 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.613 14.908 13.651 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.121 13.249 13.377 1.00 0.00 H new ATOM 755 N ALA A 59 6.642 17.026 12.501 1.00 0.00 N ATOM 756 CA ALA A 59 6.852 18.395 12.074 1.00 0.00 C ATOM 757 C ALA A 59 7.908 18.437 10.979 1.00 0.00 C ATOM 758 O ALA A 59 7.927 19.360 10.167 1.00 0.00 O ATOM 759 CB ALA A 59 7.280 19.239 13.271 1.00 0.00 C ATOM 0 H ALA A 59 6.880 16.849 13.477 1.00 0.00 H new ATOM 0 HA ALA A 59 5.924 18.802 11.672 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.438 20.269 12.952 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.501 19.211 14.033 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.207 18.841 13.684 1.00 0.00 H new ATOM 765 N ASN A 60 8.788 17.434 10.956 1.00 0.00 N ATOM 766 CA ASN A 60 9.840 17.364 9.961 1.00 0.00 C ATOM 767 C ASN A 60 9.262 16.916 8.626 1.00 0.00 C ATOM 768 O ASN A 60 9.953 16.933 7.610 1.00 0.00 O ATOM 769 CB ASN A 60 10.921 16.396 10.434 1.00 0.00 C ATOM 770 CG ASN A 60 12.286 17.068 10.441 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.427 18.185 10.934 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.294 16.384 9.894 1.00 0.00 N ATOM 0 H ASN A 60 8.786 16.660 11.621 1.00 0.00 H new ATOM 0 HA ASN A 60 10.285 18.350 9.827 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.682 16.039 11.436 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.944 15.523 9.781 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.231 16.786 9.873 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.127 15.459 9.497 1.00 0.00 H new ATOM 779 N GLY A 61 7.988 16.515 8.629 1.00 0.00 N ATOM 780 CA GLY A 61 7.329 16.067 7.419 1.00 0.00 C ATOM 781 C GLY A 61 7.801 14.668 7.047 1.00 0.00 C ATOM 782 O GLY A 61 7.875 14.328 5.869 1.00 0.00 O ATOM 0 H GLY A 61 7.399 16.495 9.462 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.249 16.067 7.564 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.541 16.759 6.604 1.00 0.00 H new ATOM 786 N SER A 62 8.123 13.858 8.058 1.00 0.00 N ATOM 787 CA SER A 62 8.585 12.503 7.833 1.00 0.00 C ATOM 788 C SER A 62 7.792 11.536 8.700 1.00 0.00 C ATOM 789 O SER A 62 7.534 11.814 9.869 1.00 0.00 O ATOM 790 CB SER A 62 10.075 12.416 8.150 1.00 0.00 C ATOM 791 OG SER A 62 10.286 12.734 9.507 1.00 0.00 O ATOM 0 H SER A 62 8.069 14.126 9.041 1.00 0.00 H new ATOM 0 HA SER A 62 8.432 12.231 6.789 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.445 11.413 7.939 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.634 13.102 7.513 1.00 0.00 H new ATOM 0 HG SER A 62 9.464 12.567 10.014 1.00 0.00 H new ATOM 797 N ALA A 63 7.405 10.395 8.123 1.00 0.00 N ATOM 798 CA ALA A 63 6.645 9.394 8.843 1.00 0.00 C ATOM 799 C ALA A 63 7.365 8.055 8.779 1.00 0.00 C ATOM 800 O ALA A 63 8.298 7.886 7.997 1.00 0.00 O ATOM 801 CB ALA A 63 5.248 9.286 8.239 1.00 0.00 C ATOM 0 H ALA A 63 7.611 10.150 7.155 1.00 0.00 H new ATOM 0 HA ALA A 63 6.553 9.685 9.889 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.675 8.533 8.780 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.744 10.249 8.314 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.326 8.998 7.191 1.00 0.00 H new ATOM 807 N SER A 64 6.930 7.100 9.605 1.00 0.00 N ATOM 808 CA SER A 64 7.534 5.784 9.636 1.00 0.00 C ATOM 809 C SER A 64 6.496 4.748 10.046 1.00 0.00 C ATOM 810 O SER A 64 5.860 4.883 11.088 1.00 0.00 O ATOM 811 CB SER A 64 8.709 5.787 10.611 1.00 0.00 C ATOM 812 OG SER A 64 9.389 7.019 10.522 1.00 0.00 O ATOM 0 H SER A 64 6.158 7.224 10.260 1.00 0.00 H new ATOM 0 HA SER A 64 7.903 5.526 8.643 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.352 5.629 11.629 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.389 4.967 10.381 1.00 0.00 H new ATOM 0 HG SER A 64 10.143 7.023 11.149 1.00 0.00 H new ATOM 818 N THR A 65 6.327 3.711 9.222 1.00 0.00 N ATOM 819 CA THR A 65 5.370 2.662 9.507 1.00 0.00 C ATOM 820 C THR A 65 5.723 1.410 8.716 1.00 0.00 C ATOM 821 O THR A 65 6.416 1.486 7.705 1.00 0.00 O ATOM 822 CB THR A 65 3.966 3.146 9.154 1.00 0.00 C ATOM 823 OG1 THR A 65 3.183 3.209 10.325 1.00 0.00 O ATOM 824 CG2 THR A 65 3.326 2.175 8.166 1.00 0.00 C ATOM 0 H THR A 65 6.846 3.584 8.353 1.00 0.00 H new ATOM 0 HA THR A 65 5.400 2.417 10.569 1.00 0.00 H new ATOM 0 HB THR A 65 4.026 4.136 8.703 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.660 3.723 11.010 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.323 2.521 7.914 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.931 2.125 7.261 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.266 1.184 8.617 1.00 0.00 H new ATOM 832 N SER A 66 5.242 0.254 9.181 1.00 0.00 N ATOM 833 CA SER A 66 5.507 -1.005 8.516 1.00 0.00 C ATOM 834 C SER A 66 4.225 -1.543 7.897 1.00 0.00 C ATOM 835 O SER A 66 3.180 -1.559 8.544 1.00 0.00 O ATOM 836 CB SER A 66 6.080 -2.000 9.522 1.00 0.00 C ATOM 837 OG SER A 66 6.663 -1.297 10.597 1.00 0.00 O ATOM 0 H SER A 66 4.666 0.174 10.019 1.00 0.00 H new ATOM 0 HA SER A 66 6.235 -0.853 7.719 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.292 -2.658 9.888 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.825 -2.633 9.040 1.00 0.00 H new ATOM 0 HG SER A 66 7.030 -1.935 11.244 1.00 0.00 H new ATOM 843 N LEU A 67 4.306 -1.984 6.639 1.00 0.00 N ATOM 844 CA LEU A 67 3.156 -2.520 5.940 1.00 0.00 C ATOM 845 C LEU A 67 3.326 -4.019 5.739 1.00 0.00 C ATOM 846 O LEU A 67 4.281 -4.458 5.102 1.00 0.00 O ATOM 847 CB LEU A 67 3.000 -1.809 4.599 1.00 0.00 C ATOM 848 CG LEU A 67 1.528 -1.802 4.196 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.031 -3.238 4.057 1.00 0.00 C ATOM 850 CD2 LEU A 67 0.711 -1.081 5.264 1.00 0.00 C ATOM 0 H LEU A 67 5.165 -1.976 6.089 1.00 0.00 H new ATOM 0 HA LEU A 67 2.256 -2.353 6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.373 -0.787 4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.595 -2.313 3.837 1.00 0.00 H new ATOM 0 HG LEU A 67 1.415 -1.285 3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.020 -3.233 3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.614 -3.752 3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.144 -3.756 5.009 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.340 -1.076 4.976 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.824 -1.596 6.218 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.065 -0.055 5.362 1.00 0.00 H new ATOM 862 N THR A 68 2.395 -4.806 6.284 1.00 0.00 N ATOM 863 CA THR A 68 2.450 -6.248 6.158 1.00 0.00 C ATOM 864 C THR A 68 1.939 -6.670 4.788 1.00 0.00 C ATOM 865 O THR A 68 0.866 -6.247 4.365 1.00 0.00 O ATOM 866 CB THR A 68 1.615 -6.886 7.265 1.00 0.00 C ATOM 867 OG1 THR A 68 1.540 -8.278 7.054 1.00 0.00 O ATOM 868 CG2 THR A 68 0.209 -6.293 7.249 1.00 0.00 C ATOM 0 H THR A 68 1.597 -4.460 6.816 1.00 0.00 H new ATOM 0 HA THR A 68 3.482 -6.584 6.257 1.00 0.00 H new ATOM 0 HB THR A 68 2.081 -6.689 8.230 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.185 -8.732 7.635 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.387 -6.749 8.040 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.266 -5.217 7.412 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.258 -6.489 6.284 1.00 0.00 H new ATOM 876 N VAL A 69 2.713 -7.507 4.094 1.00 0.00 N ATOM 877 CA VAL A 69 2.338 -7.982 2.777 1.00 0.00 C ATOM 878 C VAL A 69 1.935 -9.447 2.854 1.00 0.00 C ATOM 879 O VAL A 69 2.595 -10.240 3.522 1.00 0.00 O ATOM 880 CB VAL A 69 3.508 -7.792 1.816 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.786 -7.546 2.613 1.00 0.00 C ATOM 882 CG2 VAL A 69 3.675 -9.047 0.963 1.00 0.00 C ATOM 0 H VAL A 69 3.606 -7.867 4.431 1.00 0.00 H new ATOM 0 HA VAL A 69 1.486 -7.410 2.408 1.00 0.00 H new ATOM 0 HB VAL A 69 3.312 -6.936 1.170 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.622 -7.410 1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.668 -6.650 3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.982 -8.402 3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.511 -8.912 0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.871 -9.903 1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.763 -9.224 0.394 1.00 0.00 H new ATOM 892 N ARG A 70 0.849 -9.806 2.166 1.00 0.00 N ATOM 893 CA ARG A 70 0.364 -11.172 2.160 1.00 0.00 C ATOM 894 C ARG A 70 0.355 -11.709 0.736 1.00 0.00 C ATOM 895 O ARG A 70 0.468 -10.944 -0.219 1.00 0.00 O ATOM 896 CB ARG A 70 -1.038 -11.215 2.762 1.00 0.00 C ATOM 897 CG ARG A 70 -1.353 -9.871 3.413 1.00 0.00 C ATOM 898 CD ARG A 70 -0.381 -9.622 4.563 1.00 0.00 C ATOM 899 NE ARG A 70 -1.088 -9.158 5.757 1.00 0.00 N ATOM 900 CZ ARG A 70 -0.710 -9.489 6.999 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.358 -10.277 7.186 1.00 0.00 N ATOM 902 NH2 ARG A 70 -1.400 -9.033 8.053 1.00 0.00 N ATOM 0 H ARG A 70 0.292 -9.160 1.606 1.00 0.00 H new ATOM 0 HA ARG A 70 1.023 -11.799 2.760 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.772 -11.437 1.987 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.104 -12.014 3.501 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.274 -9.071 2.677 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.379 -9.865 3.782 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.161 -10.540 4.791 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.360 -8.880 4.264 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.903 -8.557 5.639 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.882 -10.624 6.383 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.646 -10.529 8.131 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.213 -8.434 7.910 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.112 -9.285 8.999 1.00 0.00 H new ATOM 916 N ARG A 71 0.220 -13.030 0.596 1.00 0.00 N ATOM 917 CA ARG A 71 0.198 -13.663 -0.707 1.00 0.00 C ATOM 918 C ARG A 71 -1.234 -13.749 -1.215 1.00 0.00 C ATOM 919 O ARG A 71 -1.462 -14.009 -2.394 1.00 0.00 O ATOM 920 CB ARG A 71 0.821 -15.053 -0.608 1.00 0.00 C ATOM 921 CG ARG A 71 0.475 -15.856 -1.858 1.00 0.00 C ATOM 922 CD ARG A 71 -0.837 -16.604 -1.636 1.00 0.00 C ATOM 923 NE ARG A 71 -0.590 -18.002 -1.283 1.00 0.00 N ATOM 924 CZ ARG A 71 -0.213 -18.922 -2.182 1.00 0.00 C ATOM 925 NH1 ARG A 71 -0.044 -18.575 -3.465 1.00 0.00 N ATOM 926 NH2 ARG A 71 -0.003 -20.188 -1.797 1.00 0.00 N ATOM 0 H ARG A 71 0.124 -13.677 1.379 1.00 0.00 H new ATOM 0 HA ARG A 71 0.778 -13.069 -1.413 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.903 -14.972 -0.503 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.452 -15.566 0.280 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.386 -15.191 -2.717 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.275 -16.562 -2.083 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.406 -16.120 -0.842 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.445 -16.555 -2.539 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.710 -18.289 -0.312 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.202 -17.611 -3.758 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.243 -19.275 -4.149 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.130 -20.452 -0.820 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.284 -20.888 -2.481 1.00 0.00 H new ATOM 940 N SER A 72 -2.200 -13.529 -0.320 1.00 0.00 N ATOM 941 CA SER A 72 -3.602 -13.582 -0.682 1.00 0.00 C ATOM 942 C SER A 72 -4.442 -12.929 0.407 1.00 0.00 C ATOM 943 O SER A 72 -4.124 -13.040 1.589 1.00 0.00 O ATOM 944 CB SER A 72 -4.019 -15.035 -0.889 1.00 0.00 C ATOM 945 OG SER A 72 -3.882 -15.374 -2.251 1.00 0.00 O ATOM 0 H SER A 72 -2.027 -13.312 0.662 1.00 0.00 H new ATOM 0 HA SER A 72 -3.762 -13.036 -1.612 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.402 -15.692 -0.276 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.052 -15.177 -0.570 1.00 0.00 H new ATOM 0 HG SER A 72 -2.983 -15.135 -2.559 1.00 0.00 H new ATOM 951 N PHE A 73 -5.518 -12.249 0.006 1.00 0.00 N ATOM 952 CA PHE A 73 -6.396 -11.585 0.948 1.00 0.00 C ATOM 953 C PHE A 73 -7.579 -10.974 0.211 1.00 0.00 C ATOM 954 O PHE A 73 -7.480 -10.660 -0.973 1.00 0.00 O ATOM 955 CB PHE A 73 -5.614 -10.512 1.701 1.00 0.00 C ATOM 956 CG PHE A 73 -4.875 -9.557 0.793 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.589 -8.698 -0.050 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.475 -9.530 0.798 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.904 -7.812 -0.890 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.790 -8.644 -0.042 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.504 -7.785 -0.885 1.00 0.00 C ATOM 0 H PHE A 73 -5.796 -12.149 -0.970 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.778 -12.310 1.667 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.302 -9.945 2.329 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.899 -10.995 2.367 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.669 -8.719 -0.053 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.924 -10.192 1.449 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.455 -7.150 -1.541 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.710 -8.623 -0.039 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.975 -7.101 -1.532 1.00 0.00 H new ATOM 971 N GLU A 74 -8.702 -10.806 0.914 1.00 0.00 N ATOM 972 CA GLU A 74 -9.894 -10.233 0.322 1.00 0.00 C ATOM 973 C GLU A 74 -9.583 -8.853 -0.240 1.00 0.00 C ATOM 974 O GLU A 74 -9.098 -7.982 0.479 1.00 0.00 O ATOM 975 CB GLU A 74 -10.995 -10.153 1.375 1.00 0.00 C ATOM 976 CG GLU A 74 -10.496 -9.350 2.572 1.00 0.00 C ATOM 977 CD GLU A 74 -10.254 -10.256 3.771 1.00 0.00 C ATOM 978 OE1 GLU A 74 -9.116 -10.760 3.881 1.00 0.00 O ATOM 979 OE2 GLU A 74 -11.212 -10.427 4.556 1.00 0.00 O ATOM 0 H GLU A 74 -8.802 -11.062 1.896 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.237 -10.866 -0.497 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.883 -9.683 0.953 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.284 -11.155 1.691 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.573 -8.834 2.309 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.227 -8.584 2.831 1.00 0.00 H new ATOM 986 N GLY A 75 -9.863 -8.655 -1.530 1.00 0.00 N ATOM 987 CA GLY A 75 -9.612 -7.382 -2.177 1.00 0.00 C ATOM 988 C GLY A 75 -10.782 -6.435 -1.949 1.00 0.00 C ATOM 989 O GLY A 75 -11.787 -6.506 -2.652 1.00 0.00 O ATOM 0 H GLY A 75 -10.264 -9.366 -2.141 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.696 -6.941 -1.784 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.460 -7.533 -3.246 1.00 0.00 H new ATOM 993 N PHE A 76 -10.648 -5.545 -0.963 1.00 0.00 N ATOM 994 CA PHE A 76 -11.693 -4.591 -0.649 1.00 0.00 C ATOM 995 C PHE A 76 -11.574 -3.377 -1.560 1.00 0.00 C ATOM 996 O PHE A 76 -10.729 -2.513 -1.338 1.00 0.00 O ATOM 997 CB PHE A 76 -11.583 -4.181 0.816 1.00 0.00 C ATOM 998 CG PHE A 76 -12.717 -4.693 1.672 1.00 0.00 C ATOM 999 CD1 PHE A 76 -13.918 -3.977 1.744 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.568 -5.885 2.392 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -14.970 -4.453 2.536 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.619 -6.361 3.184 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.820 -5.645 3.256 1.00 0.00 C ATOM 0 H PHE A 76 -9.820 -5.472 -0.372 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.669 -5.048 -0.812 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.640 -4.550 1.218 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.553 -3.093 0.879 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -14.033 -3.058 1.189 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.642 -6.437 2.336 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -15.897 -3.901 2.592 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.504 -7.280 3.739 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.631 -6.012 3.867 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.424 -3.314 -2.588 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.410 -2.209 -3.525 1.00 0.00 C ATOM 1015 C LEU A 77 -12.623 -0.898 -2.781 1.00 0.00 C ATOM 1016 O LEU A 77 -13.536 -0.785 -1.966 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.499 -2.418 -4.573 1.00 0.00 C ATOM 1018 CG LEU A 77 -13.983 -1.063 -5.082 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.833 -0.340 -5.777 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.127 -1.270 -6.071 1.00 0.00 C ATOM 0 H LEU A 77 -13.130 -4.023 -2.785 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.444 -2.166 -4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.112 -3.012 -5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.331 -2.975 -4.142 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.334 -0.463 -4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.178 0.628 -6.141 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.016 -0.192 -5.070 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.482 -0.939 -6.617 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.473 -0.303 -6.435 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.777 -1.870 -6.911 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.949 -1.786 -5.574 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.777 0.095 -3.064 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.879 1.390 -2.421 1.00 0.00 C ATOM 1034 C PHE A 78 -13.322 1.872 -2.456 1.00 0.00 C ATOM 1035 O PHE A 78 -13.789 2.509 -1.514 1.00 0.00 O ATOM 1036 CB PHE A 78 -10.960 2.382 -3.129 1.00 0.00 C ATOM 1037 CG PHE A 78 -11.222 2.493 -4.612 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -12.290 3.269 -5.078 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -10.395 1.823 -5.522 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -12.532 3.374 -6.453 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -10.636 1.928 -6.897 1.00 0.00 C ATOM 1042 CZ PHE A 78 -11.705 2.704 -7.362 1.00 0.00 C ATOM 0 H PHE A 78 -11.015 0.018 -3.737 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.570 1.308 -1.379 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -11.079 3.365 -2.673 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -9.924 2.081 -2.973 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.927 3.787 -4.377 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.571 1.225 -5.163 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -13.357 3.972 -6.812 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -9.998 1.411 -7.599 1.00 0.00 H new ATOM 0 HZ PHE A 78 -11.891 2.786 -8.423 1.00 0.00 H new ATOM 1052 N ASP A 79 -14.030 1.566 -3.546 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.413 1.969 -3.698 1.00 0.00 C ATOM 1054 C ASP A 79 -16.241 1.413 -2.548 1.00 0.00 C ATOM 1055 O ASP A 79 -17.358 1.866 -2.309 1.00 0.00 O ATOM 1056 CB ASP A 79 -15.944 1.469 -5.038 1.00 0.00 C ATOM 1057 CG ASP A 79 -16.698 2.571 -5.769 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -16.448 3.749 -5.435 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -17.511 2.214 -6.649 1.00 0.00 O ATOM 0 H ASP A 79 -13.658 1.037 -4.335 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.483 3.057 -3.678 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.116 1.119 -5.654 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.604 0.616 -4.877 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.691 0.427 -1.835 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.384 -0.182 -0.717 1.00 0.00 C ATOM 1066 C GLY A 80 -17.091 -1.453 -1.165 1.00 0.00 C ATOM 1067 O GLY A 80 -18.109 -1.835 -0.591 1.00 0.00 O ATOM 0 H GLY A 80 -14.766 0.039 -2.019 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.675 -0.413 0.078 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.109 0.519 -0.304 1.00 0.00 H new ATOM 1071 N THR A 81 -16.550 -2.109 -2.193 1.00 0.00 N ATOM 1072 CA THR A 81 -17.133 -3.332 -2.708 1.00 0.00 C ATOM 1073 C THR A 81 -16.172 -4.493 -2.499 1.00 0.00 C ATOM 1074 O THR A 81 -14.957 -4.315 -2.554 1.00 0.00 O ATOM 1075 CB THR A 81 -17.454 -3.156 -4.190 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.523 -2.248 -4.334 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.847 -4.504 -4.789 1.00 0.00 C ATOM 0 H THR A 81 -15.707 -1.806 -2.681 1.00 0.00 H new ATOM 0 HA THR A 81 -18.056 -3.552 -2.172 1.00 0.00 H new ATOM 0 HB THR A 81 -16.577 -2.770 -4.709 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.729 -2.133 -5.285 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.076 -4.379 -5.847 1.00 0.00 H new ATOM 0 HG22 THR A 81 -17.021 -5.206 -4.677 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.725 -4.890 -4.271 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.720 -5.686 -2.258 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.913 -6.869 -2.041 1.00 0.00 C ATOM 1087 C ARG A 82 -15.524 -7.481 -3.380 1.00 0.00 C ATOM 1088 O ARG A 82 -16.297 -8.235 -3.968 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.695 -7.870 -1.197 1.00 0.00 C ATOM 1090 CG ARG A 82 -15.751 -8.552 -0.210 1.00 0.00 C ATOM 1091 CD ARG A 82 -16.480 -9.701 0.480 1.00 0.00 C ATOM 1092 NE ARG A 82 -16.545 -9.488 1.926 1.00 0.00 N ATOM 1093 CZ ARG A 82 -16.749 -10.485 2.798 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -16.902 -11.741 2.357 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -16.800 -10.226 4.112 1.00 0.00 N ATOM 0 H ARG A 82 -17.726 -5.849 -2.210 1.00 0.00 H new ATOM 0 HA ARG A 82 -15.001 -6.599 -1.508 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.495 -7.361 -0.659 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -17.166 -8.614 -1.840 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.871 -8.927 -0.732 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -15.400 -7.833 0.530 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -17.489 -9.791 0.076 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.968 -10.640 0.270 1.00 0.00 H new ATOM 0 HE ARG A 82 -16.430 -8.540 2.286 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -16.863 -11.939 1.357 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -17.057 -12.499 3.021 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -16.684 -9.270 4.448 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -16.955 -10.985 4.776 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.322 -7.156 -3.862 1.00 0.00 N ATOM 1110 CA TRP A 83 -13.842 -7.678 -5.125 1.00 0.00 C ATOM 1111 C TRP A 83 -13.701 -9.191 -5.041 1.00 0.00 C ATOM 1112 O TRP A 83 -14.073 -9.905 -5.970 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.505 -7.029 -5.468 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.284 -6.773 -6.924 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -11.427 -7.455 -7.715 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -12.912 -5.775 -7.785 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -11.481 -6.951 -8.997 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -12.382 -5.911 -9.097 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -13.874 -4.767 -7.592 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -12.784 -5.095 -10.158 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -14.284 -3.943 -8.649 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -13.743 -4.103 -9.930 1.00 0.00 C ATOM 0 H TRP A 83 -13.669 -6.532 -3.389 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.558 -7.444 -5.913 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.429 -6.083 -4.932 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.702 -7.669 -5.101 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -10.796 -8.270 -7.392 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -10.924 -7.303 -9.775 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -14.304 -4.625 -6.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -12.359 -5.229 -11.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -15.025 -3.177 -8.473 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -14.065 -3.463 -10.739 1.00 0.00 H new ATOM 1133 N GLY A 84 -13.162 -9.681 -3.922 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.976 -11.105 -3.727 1.00 0.00 C ATOM 1135 C GLY A 84 -11.540 -11.398 -3.315 1.00 0.00 C ATOM 1136 O GLY A 84 -10.712 -10.493 -3.253 1.00 0.00 O ATOM 0 H GLY A 84 -12.849 -9.104 -3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.662 -11.467 -2.961 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.214 -11.639 -4.647 1.00 0.00 H new ATOM 1140 N THR A 85 -11.246 -12.670 -3.032 1.00 0.00 N ATOM 1141 CA THR A 85 -9.914 -13.071 -2.630 1.00 0.00 C ATOM 1142 C THR A 85 -8.904 -12.655 -3.689 1.00 0.00 C ATOM 1143 O THR A 85 -9.140 -12.836 -4.882 1.00 0.00 O ATOM 1144 CB THR A 85 -9.882 -14.582 -2.417 1.00 0.00 C ATOM 1145 OG1 THR A 85 -11.199 -15.064 -2.273 1.00 0.00 O ATOM 1146 CG2 THR A 85 -9.082 -14.902 -1.157 1.00 0.00 C ATOM 0 H THR A 85 -11.920 -13.434 -3.077 1.00 0.00 H new ATOM 0 HA THR A 85 -9.650 -12.578 -1.694 1.00 0.00 H new ATOM 0 HB THR A 85 -9.412 -15.060 -3.276 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.179 -16.034 -2.138 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.059 -15.981 -1.005 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.064 -14.530 -1.268 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.551 -14.424 -0.297 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.775 -12.094 -3.250 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.735 -11.655 -4.159 1.00 0.00 C ATOM 1156 C VAL A 86 -5.479 -12.487 -3.946 1.00 0.00 C ATOM 1157 O VAL A 86 -5.269 -13.031 -2.864 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.449 -10.174 -3.926 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -4.963 -9.902 -4.145 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -7.268 -9.338 -4.905 1.00 0.00 C ATOM 0 H VAL A 86 -7.565 -11.936 -2.264 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.066 -11.790 -5.189 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.721 -9.908 -2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.758 -8.844 -3.979 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.377 -10.499 -3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.691 -10.168 -5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.064 -8.280 -4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.996 -9.604 -5.927 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.329 -9.532 -4.750 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.643 -12.586 -4.982 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.415 -13.351 -4.902 1.00 0.00 C ATOM 1172 C ASP A 87 -2.242 -12.490 -5.349 1.00 0.00 C ATOM 1173 O ASP A 87 -2.029 -12.300 -6.544 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.535 -14.597 -5.776 1.00 0.00 C ATOM 1175 CG ASP A 87 -3.895 -15.815 -4.938 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -2.948 -16.470 -4.452 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -5.111 -16.069 -4.800 1.00 0.00 O ATOM 0 H ASP A 87 -4.803 -12.141 -5.886 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.241 -13.661 -3.872 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.296 -14.438 -6.540 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.593 -14.774 -6.296 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.480 -11.968 -4.385 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.336 -11.131 -4.682 1.00 0.00 C ATOM 1184 C CYS A 88 0.590 -11.851 -5.653 1.00 0.00 C ATOM 1185 O CYS A 88 1.302 -11.212 -6.424 1.00 0.00 O ATOM 1186 CB CYS A 88 0.397 -10.793 -3.387 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.421 -9.523 -2.390 1.00 0.00 S ATOM 0 H CYS A 88 -1.644 -12.117 -3.389 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.670 -10.204 -5.147 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.498 -11.700 -2.791 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.405 -10.457 -3.629 1.00 0.00 H new ATOM 1192 N THR A 89 0.578 -13.185 -5.615 1.00 0.00 N ATOM 1193 CA THR A 89 1.415 -13.979 -6.492 1.00 0.00 C ATOM 1194 C THR A 89 0.791 -14.054 -7.877 1.00 0.00 C ATOM 1195 O THR A 89 1.365 -14.645 -8.789 1.00 0.00 O ATOM 1196 CB THR A 89 1.589 -15.375 -5.901 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.364 -15.809 -5.352 1.00 0.00 O ATOM 1198 CG2 THR A 89 2.651 -15.337 -4.806 1.00 0.00 C ATOM 0 H THR A 89 -0.006 -13.731 -4.982 1.00 0.00 H new ATOM 0 HA THR A 89 2.396 -13.512 -6.584 1.00 0.00 H new ATOM 0 HB THR A 89 1.901 -16.064 -6.686 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.233 -16.759 -5.555 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.775 -16.334 -4.384 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.598 -15.002 -5.229 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.340 -14.647 -4.021 1.00 0.00 H new ATOM 1206 N THR A 90 -0.390 -13.452 -8.035 1.00 0.00 N ATOM 1207 CA THR A 90 -1.082 -13.454 -9.308 1.00 0.00 C ATOM 1208 C THR A 90 -1.202 -12.032 -9.836 1.00 0.00 C ATOM 1209 O THR A 90 -1.272 -11.819 -11.045 1.00 0.00 O ATOM 1210 CB THR A 90 -2.461 -14.084 -9.135 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.354 -15.486 -9.245 1.00 0.00 O ATOM 1212 CG2 THR A 90 -3.400 -13.559 -10.217 1.00 0.00 C ATOM 0 H THR A 90 -0.881 -12.958 -7.290 1.00 0.00 H new ATOM 0 HA THR A 90 -0.516 -14.041 -10.031 1.00 0.00 H new ATOM 0 HB THR A 90 -2.858 -13.826 -8.153 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.239 -15.891 -9.132 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.385 -14.009 -10.094 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.483 -12.475 -10.132 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.004 -13.817 -11.199 1.00 0.00 H new ATOM 1220 N ALA A 91 -1.225 -11.056 -8.925 1.00 0.00 N ATOM 1221 CA ALA A 91 -1.337 -9.661 -9.301 1.00 0.00 C ATOM 1222 C ALA A 91 -0.241 -8.854 -8.619 1.00 0.00 C ATOM 1223 O ALA A 91 0.611 -9.416 -7.934 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.716 -9.139 -8.910 1.00 0.00 C ATOM 0 H ALA A 91 -1.167 -11.216 -7.919 1.00 0.00 H new ATOM 0 HA ALA A 91 -1.217 -9.560 -10.380 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.801 -8.090 -9.192 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.483 -9.717 -9.425 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.850 -9.237 -7.833 1.00 0.00 H new ATOM 1230 N ALA A 92 -0.265 -7.533 -8.808 1.00 0.00 N ATOM 1231 CA ALA A 92 0.724 -6.657 -8.213 1.00 0.00 C ATOM 1232 C ALA A 92 0.132 -5.963 -6.995 1.00 0.00 C ATOM 1233 O ALA A 92 -0.894 -5.294 -7.097 1.00 0.00 O ATOM 1234 CB ALA A 92 1.185 -5.635 -9.248 1.00 0.00 C ATOM 0 H ALA A 92 -0.966 -7.053 -9.373 1.00 0.00 H new ATOM 0 HA ALA A 92 1.586 -7.241 -7.890 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.929 -4.975 -8.802 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.624 -6.153 -10.100 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.331 -5.045 -9.582 1.00 0.00 H new ATOM 1240 N CYS A 93 0.782 -6.124 -5.840 1.00 0.00 N ATOM 1241 CA CYS A 93 0.319 -5.514 -4.610 1.00 0.00 C ATOM 1242 C CYS A 93 1.191 -4.313 -4.270 1.00 0.00 C ATOM 1243 O CYS A 93 2.361 -4.269 -4.643 1.00 0.00 O ATOM 1244 CB CYS A 93 0.356 -6.545 -3.486 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.726 -7.970 -3.759 1.00 0.00 S ATOM 0 H CYS A 93 1.634 -6.676 -5.740 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.707 -5.169 -4.734 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.380 -6.897 -3.364 1.00 0.00 H new ATOM 0 HB3 CYS A 93 0.072 -6.060 -2.552 1.00 0.00 H new ATOM 1250 N GLN A 94 0.618 -3.339 -3.560 1.00 0.00 N ATOM 1251 CA GLN A 94 1.344 -2.145 -3.176 1.00 0.00 C ATOM 1252 C GLN A 94 0.882 -1.678 -1.803 1.00 0.00 C ATOM 1253 O GLN A 94 -0.275 -1.870 -1.437 1.00 0.00 O ATOM 1254 CB GLN A 94 1.119 -1.056 -4.222 1.00 0.00 C ATOM 1255 CG GLN A 94 0.023 -0.108 -3.742 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.654 0.578 -4.919 1.00 0.00 C ATOM 1257 OE1 GLN A 94 -0.225 0.424 -6.061 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -1.714 1.339 -4.639 1.00 0.00 N ATOM 0 H GLN A 94 -0.351 -3.362 -3.242 1.00 0.00 H new ATOM 0 HA GLN A 94 2.410 -2.365 -3.122 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.043 -0.504 -4.392 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.835 -1.504 -5.174 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.716 -0.663 -3.165 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.451 0.641 -3.076 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -2.032 1.436 -3.675 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.206 1.824 -5.389 1.00 0.00 H new ATOM 1267 N VAL A 95 1.791 -1.063 -1.043 1.00 0.00 N ATOM 1268 CA VAL A 95 1.474 -0.572 0.283 1.00 0.00 C ATOM 1269 C VAL A 95 1.563 0.947 0.304 1.00 0.00 C ATOM 1270 O VAL A 95 2.368 1.533 -0.416 1.00 0.00 O ATOM 1271 CB VAL A 95 2.437 -1.185 1.295 1.00 0.00 C ATOM 1272 CG1 VAL A 95 2.581 -0.250 2.492 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.892 -2.531 1.765 1.00 0.00 C ATOM 0 H VAL A 95 2.755 -0.897 -1.333 1.00 0.00 H new ATOM 0 HA VAL A 95 0.457 -0.860 0.549 1.00 0.00 H new ATOM 0 HB VAL A 95 3.411 -1.330 0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 95 3.269 -0.688 3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.970 0.712 2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.607 -0.105 2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.580 -2.970 2.488 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.918 -2.386 2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.789 -3.200 0.911 1.00 0.00 H new ATOM 1283 N GLY A 96 0.734 1.585 1.134 1.00 0.00 N ATOM 1284 CA GLY A 96 0.729 3.030 1.241 1.00 0.00 C ATOM 1285 C GLY A 96 -0.272 3.477 2.298 1.00 0.00 C ATOM 1286 O GLY A 96 -1.014 2.660 2.838 1.00 0.00 O ATOM 0 H GLY A 96 0.060 1.115 1.739 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.726 3.386 1.501 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.473 3.472 0.278 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.290 4.779 2.591 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.197 5.328 3.580 1.00 0.00 C ATOM 1292 C LEU A 97 -2.006 6.461 2.965 1.00 0.00 C ATOM 1293 O LEU A 97 -1.611 7.030 1.950 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.398 5.825 4.782 1.00 0.00 C ATOM 1295 CG LEU A 97 0.595 6.890 4.327 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.724 7.960 5.407 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.957 6.245 4.085 1.00 0.00 C ATOM 0 H LEU A 97 0.319 5.469 2.151 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.888 4.554 3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.071 6.237 5.534 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.132 4.994 5.249 1.00 0.00 H new ATOM 0 HG LEU A 97 0.240 7.347 3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.433 8.721 5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.248 8.421 5.581 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.079 7.504 6.331 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.667 7.005 3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.312 5.788 5.009 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.866 5.480 3.314 1.00 0.00 H new ATOM 1309 N SER A 98 -3.143 6.788 3.584 1.00 0.00 N ATOM 1310 CA SER A 98 -4.000 7.851 3.096 1.00 0.00 C ATOM 1311 C SER A 98 -4.538 8.660 4.268 1.00 0.00 C ATOM 1312 O SER A 98 -4.599 8.165 5.391 1.00 0.00 O ATOM 1313 CB SER A 98 -5.143 7.249 2.284 1.00 0.00 C ATOM 1314 OG SER A 98 -4.732 7.084 0.946 1.00 0.00 O ATOM 0 HA SER A 98 -3.427 8.519 2.453 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.437 6.288 2.707 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.017 7.898 2.330 1.00 0.00 H new ATOM 0 HG SER A 98 -3.754 7.031 0.908 1.00 0.00 H new ATOM 1320 N ASP A 99 -4.930 9.908 4.003 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.460 10.777 5.034 1.00 0.00 C ATOM 1322 C ASP A 99 -6.948 10.999 4.806 1.00 0.00 C ATOM 1323 O ASP A 99 -7.573 10.277 4.033 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.706 12.104 5.016 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.401 13.112 4.112 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.682 12.735 2.953 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.639 14.240 4.595 1.00 0.00 O ATOM 0 H ASP A 99 -4.887 10.333 3.077 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.328 10.312 6.011 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.640 12.503 6.028 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.685 11.942 4.670 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.515 12.001 5.482 1.00 0.00 N ATOM 1333 CA ALA A 100 -8.925 12.310 5.351 1.00 0.00 C ATOM 1334 C ALA A 100 -9.264 12.555 3.888 1.00 0.00 C ATOM 1335 O ALA A 100 -10.226 11.993 3.369 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.256 13.537 6.196 1.00 0.00 C ATOM 0 H ALA A 100 -7.010 12.609 6.126 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.521 11.469 5.706 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.316 13.771 6.098 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.024 13.332 7.241 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.664 14.386 5.853 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.471 13.398 3.222 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.692 13.714 1.825 1.00 0.00 C ATOM 1344 C ALA A 101 -8.344 12.509 0.963 1.00 0.00 C ATOM 1345 O ALA A 101 -8.864 12.362 -0.141 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.843 14.920 1.437 1.00 0.00 C ATOM 0 H ALA A 101 -7.669 13.871 3.638 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.742 13.959 1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.008 15.159 0.386 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.123 15.775 2.052 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.789 14.689 1.595 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.462 11.644 1.469 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.053 10.460 0.740 1.00 0.00 C ATOM 1354 C GLY A 102 -5.708 10.694 0.066 1.00 0.00 C ATOM 1355 O GLY A 102 -5.493 10.262 -1.064 1.00 0.00 O ATOM 0 H GLY A 102 -7.021 11.749 2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.984 9.611 1.420 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.804 10.208 -0.009 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.800 11.381 0.764 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.484 11.668 0.231 1.00 0.00 C ATOM 1361 C ASN A 103 -2.425 10.928 1.036 1.00 0.00 C ATOM 1362 O ASN A 103 -2.637 10.616 2.206 1.00 0.00 O ATOM 1363 CB ASN A 103 -3.238 13.173 0.269 1.00 0.00 C ATOM 1364 CG ASN A 103 -3.753 13.775 1.568 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.105 13.435 2.684 1.00 0.00 O flip ATOM 1366 ND2 ASN A 103 -4.721 14.532 1.562 1.00 0.00 N flip ATOM 0 H ASN A 103 -4.962 11.746 1.703 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.426 11.329 -0.803 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.171 13.374 0.168 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.733 13.648 -0.578 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -5.183 14.762 0.682 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.062 14.930 2.437 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.281 10.648 0.407 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.200 9.947 1.071 1.00 0.00 C ATOM 1375 C GLY A 104 1.104 10.151 0.313 1.00 0.00 C ATOM 1376 O GLY A 104 1.159 10.932 -0.635 1.00 0.00 O ATOM 0 H GLY A 104 -1.087 10.900 -0.562 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.095 10.310 2.093 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.430 8.883 1.133 1.00 0.00 H new ATOM 1380 N PRO A 105 2.156 9.445 0.733 1.00 0.00 N ATOM 1381 CA PRO A 105 3.473 9.508 0.135 1.00 0.00 C ATOM 1382 C PRO A 105 3.453 8.808 -1.216 1.00 0.00 C ATOM 1383 O PRO A 105 2.584 7.980 -1.476 1.00 0.00 O ATOM 1384 CB PRO A 105 4.385 8.777 1.118 1.00 0.00 C ATOM 1385 CG PRO A 105 3.445 7.753 1.753 1.00 0.00 C ATOM 1386 CD PRO A 105 2.127 8.518 1.844 1.00 0.00 C ATOM 0 HA PRO A 105 3.812 10.529 -0.041 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.223 8.298 0.612 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.806 9.455 1.860 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.351 6.856 1.141 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.797 7.434 2.734 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.273 7.844 1.774 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.040 9.044 2.795 1.00 0.00 H new ATOM 1394 N GLU A 106 4.415 9.144 -2.079 1.00 0.00 N ATOM 1395 CA GLU A 106 4.500 8.546 -3.396 1.00 0.00 C ATOM 1396 C GLU A 106 4.145 7.068 -3.320 1.00 0.00 C ATOM 1397 O GLU A 106 4.834 6.295 -2.657 1.00 0.00 O ATOM 1398 CB GLU A 106 5.910 8.736 -3.949 1.00 0.00 C ATOM 1399 CG GLU A 106 5.862 9.666 -5.158 1.00 0.00 C ATOM 1400 CD GLU A 106 7.207 9.704 -5.869 1.00 0.00 C ATOM 1401 OE1 GLU A 106 8.070 10.483 -5.410 1.00 0.00 O ATOM 1402 OE2 GLU A 106 7.347 8.952 -6.858 1.00 0.00 O ATOM 0 H GLU A 106 5.144 9.830 -1.880 1.00 0.00 H new ATOM 0 HA GLU A 106 3.791 9.033 -4.066 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.560 9.154 -3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.333 7.773 -4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.090 9.330 -5.850 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.587 10.671 -4.838 1.00 0.00 H new ATOM 1409 N GLY A 107 3.067 6.675 -4.001 1.00 0.00 N ATOM 1410 CA GLY A 107 2.630 5.293 -4.004 1.00 0.00 C ATOM 1411 C GLY A 107 3.834 4.360 -3.988 1.00 0.00 C ATOM 1412 O GLY A 107 4.911 4.725 -4.454 1.00 0.00 O ATOM 0 H GLY A 107 2.485 7.302 -4.556 1.00 0.00 H new ATOM 0 HA2 GLY A 107 2.001 5.101 -3.135 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.022 5.098 -4.887 1.00 0.00 H new ATOM 1416 N VAL A 108 3.647 3.153 -3.450 1.00 0.00 N ATOM 1417 CA VAL A 108 4.713 2.175 -3.376 1.00 0.00 C ATOM 1418 C VAL A 108 4.252 0.862 -3.990 1.00 0.00 C ATOM 1419 O VAL A 108 3.449 0.144 -3.397 1.00 0.00 O ATOM 1420 CB VAL A 108 5.120 1.977 -1.918 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.862 0.652 -1.772 1.00 0.00 C ATOM 1422 CG2 VAL A 108 6.032 3.121 -1.485 1.00 0.00 C ATOM 0 H VAL A 108 2.759 2.837 -3.060 1.00 0.00 H new ATOM 0 HA VAL A 108 5.578 2.531 -3.936 1.00 0.00 H new ATOM 0 HB VAL A 108 4.229 1.965 -1.291 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.153 0.511 -0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 108 5.211 -0.166 -2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.753 0.663 -2.399 1.00 0.00 H new ATOM 0 HG21 VAL A 108 6.323 2.980 -0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.923 3.133 -2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.502 4.068 -1.589 1.00 0.00 H new ATOM 1432 N ALA A 109 4.761 0.547 -5.184 1.00 0.00 N ATOM 1433 CA ALA A 109 4.399 -0.675 -5.872 1.00 0.00 C ATOM 1434 C ALA A 109 5.235 -1.832 -5.342 1.00 0.00 C ATOM 1435 O ALA A 109 6.449 -1.706 -5.193 1.00 0.00 O ATOM 1436 CB ALA A 109 4.613 -0.496 -7.372 1.00 0.00 C ATOM 0 H ALA A 109 5.428 1.131 -5.689 1.00 0.00 H new ATOM 0 HA ALA A 109 3.348 -0.900 -5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.341 -1.415 -7.891 1.00 0.00 H new ATOM 0 HB2 ALA A 109 3.990 0.322 -7.733 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.661 -0.267 -7.565 1.00 0.00 H new ATOM 1442 N ILE A 110 4.583 -2.961 -5.058 1.00 0.00 N ATOM 1443 CA ILE A 110 5.266 -4.134 -4.549 1.00 0.00 C ATOM 1444 C ILE A 110 5.439 -5.154 -5.665 1.00 0.00 C ATOM 1445 O ILE A 110 4.781 -5.063 -6.699 1.00 0.00 O ATOM 1446 CB ILE A 110 4.465 -4.726 -3.392 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.920 -3.598 -2.521 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.371 -5.623 -2.554 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.140 -4.191 -1.351 1.00 0.00 C ATOM 0 H ILE A 110 3.577 -3.080 -5.176 1.00 0.00 H new ATOM 0 HA ILE A 110 6.254 -3.855 -4.183 1.00 0.00 H new ATOM 0 HB ILE A 110 3.636 -5.313 -3.787 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.739 -2.982 -2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.274 -2.948 -3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.800 -6.046 -1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 110 5.761 -6.429 -3.176 1.00 0.00 H new ATOM 0 HG23 ILE A 110 6.200 -5.036 -2.159 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.750 -3.386 -0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.312 -4.789 -1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.800 -4.823 -0.756 1.00 0.00 H new ATOM 1461 N SER A 111 6.326 -6.129 -5.453 1.00 0.00 N ATOM 1462 CA SER A 111 6.578 -7.159 -6.440 1.00 0.00 C ATOM 1463 C SER A 111 6.886 -8.477 -5.744 1.00 0.00 C ATOM 1464 O SER A 111 7.808 -8.555 -4.935 1.00 0.00 O ATOM 1465 CB SER A 111 7.741 -6.735 -7.332 1.00 0.00 C ATOM 1466 OG SER A 111 7.557 -7.263 -8.627 1.00 0.00 O ATOM 0 H SER A 111 6.879 -6.219 -4.601 1.00 0.00 H new ATOM 0 HA SER A 111 5.692 -7.297 -7.060 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.802 -5.648 -7.376 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.683 -7.090 -6.913 1.00 0.00 H new ATOM 0 HG SER A 111 8.303 -6.989 -9.201 1.00 0.00 H new ATOM 1472 N PHE A 112 6.110 -9.517 -6.061 1.00 0.00 N ATOM 1473 CA PHE A 112 6.306 -10.824 -5.465 1.00 0.00 C ATOM 1474 C PHE A 112 7.169 -11.683 -6.378 1.00 0.00 C ATOM 1475 O PHE A 112 6.870 -11.831 -7.561 1.00 0.00 O ATOM 1476 CB PHE A 112 4.949 -11.481 -5.227 1.00 0.00 C ATOM 1477 CG PHE A 112 4.100 -10.757 -4.210 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.674 -9.447 -4.458 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.735 -11.398 -3.019 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.884 -8.777 -3.516 1.00 0.00 C ATOM 1481 CE2 PHE A 112 2.946 -10.728 -2.077 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.520 -9.418 -2.325 1.00 0.00 C ATOM 0 H PHE A 112 5.341 -9.470 -6.729 1.00 0.00 H new ATOM 0 HA PHE A 112 6.818 -10.720 -4.508 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.407 -11.530 -6.172 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.104 -12.507 -4.894 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.955 -8.953 -5.376 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.062 -12.409 -2.828 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.555 -7.766 -3.708 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.666 -11.222 -1.158 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.911 -8.902 -1.598 1.00 0.00 H new ATOM 1492 N ASN A 113 8.244 -12.251 -5.826 1.00 0.00 N ATOM 1493 CA ASN A 113 9.142 -13.091 -6.592 1.00 0.00 C ATOM 1494 C ASN A 113 9.407 -12.462 -7.953 1.00 0.00 C ATOM 1495 O ASN A 113 9.508 -11.242 -8.066 1.00 0.00 O ATOM 1496 CB ASN A 113 8.527 -14.479 -6.750 1.00 0.00 C ATOM 1497 CG ASN A 113 7.239 -14.414 -7.558 1.00 0.00 C ATOM 1498 OD1 ASN A 113 6.105 -14.271 -6.868 1.00 0.00 O flip ATOM 1499 ND2 ASN A 113 7.269 -14.494 -8.784 1.00 0.00 N flip ATOM 0 H ASN A 113 8.507 -12.138 -4.847 1.00 0.00 H new ATOM 0 HA ASN A 113 10.093 -13.185 -6.067 1.00 0.00 H new ATOM 0 HB2 ASN A 113 9.238 -15.142 -7.244 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.323 -14.905 -5.768 1.00 0.00 H new ATOM 0 HD21 ASN A 113 8.161 -14.603 -9.266 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.402 -14.452 -9.319 1.00 0.00 H new TER 1506 ASN A 113