USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 700 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (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= -0.274 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 52 THR OG1 : rot -140:sc=0.000904 USER MOD Single : A 62 SER OG : rot 34:sc= 0.47 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.8 K(o=-1.8,f=-2.6!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-3.3!) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.106 USER MOD Single : A 77 CYS SG : rot -130:sc= 1.02 USER MOD Single : A 78 ASN : amide:sc=-0.00418 K(o=-0.0042,f=-0.52) USER MOD Single : A 81 TYR OH : rot 150:sc= -0.312 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -0:sc= 1.9 USER MOD Single : A 95 SER OG : rot 170:sc= -0.579 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.859 -26.142 17.628 1.00 0.00 N ATOM 2 CA GLY A 1 -14.659 -25.395 17.155 1.00 0.00 C ATOM 3 C GLY A 1 -14.179 -25.867 15.797 1.00 0.00 C ATOM 4 O GLY A 1 -13.955 -27.060 15.590 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.147 -25.782 18.560 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.638 -26.013 16.951 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.631 -27.154 17.704 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.894 -24.332 17.104 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.854 -25.510 17.881 1.00 0.00 H new ATOM 10 N SER A 2 -14.022 -24.930 14.868 1.00 0.00 N ATOM 11 CA SER A 2 -13.566 -25.256 13.522 1.00 0.00 C ATOM 12 C SER A 2 -12.046 -25.362 13.473 1.00 0.00 C ATOM 13 O SER A 2 -11.343 -24.712 14.247 1.00 0.00 O ATOM 14 CB SER A 2 -14.048 -24.199 12.528 1.00 0.00 C ATOM 15 OG SER A 2 -13.502 -22.926 12.831 1.00 0.00 O ATOM 0 H SER A 2 -14.204 -23.938 15.023 1.00 0.00 H new ATOM 0 HA SER A 2 -13.988 -26.223 13.247 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.762 -24.489 11.517 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.136 -24.145 12.549 1.00 0.00 H new ATOM 0 HG SER A 2 -13.824 -22.268 12.180 1.00 0.00 H new ATOM 21 N SER A 3 -11.544 -26.186 12.559 1.00 0.00 N ATOM 22 CA SER A 3 -10.106 -26.376 12.409 1.00 0.00 C ATOM 23 C SER A 3 -9.736 -26.607 10.947 1.00 0.00 C ATOM 24 O SER A 3 -10.609 -26.783 10.097 1.00 0.00 O ATOM 25 CB SER A 3 -9.636 -27.558 13.258 1.00 0.00 C ATOM 26 OG SER A 3 -10.066 -28.789 12.704 1.00 0.00 O ATOM 0 H SER A 3 -12.112 -26.733 11.911 1.00 0.00 H new ATOM 0 HA SER A 3 -9.608 -25.469 12.752 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.548 -27.548 13.329 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.023 -27.458 14.272 1.00 0.00 H new ATOM 0 HG SER A 3 -9.751 -29.528 13.265 1.00 0.00 H new ATOM 32 N GLY A 4 -8.439 -26.604 10.663 1.00 0.00 N ATOM 33 CA GLY A 4 -7.976 -26.816 9.304 1.00 0.00 C ATOM 34 C GLY A 4 -6.540 -26.376 9.104 1.00 0.00 C ATOM 35 O GLY A 4 -5.827 -26.922 8.261 1.00 0.00 O ATOM 0 H GLY A 4 -7.699 -26.458 11.350 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.067 -27.873 9.054 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.619 -26.269 8.615 1.00 0.00 H new ATOM 39 N SER A 5 -6.112 -25.387 9.883 1.00 0.00 N ATOM 40 CA SER A 5 -4.750 -24.874 9.789 1.00 0.00 C ATOM 41 C SER A 5 -3.733 -25.972 10.082 1.00 0.00 C ATOM 42 O SER A 5 -4.044 -26.955 10.755 1.00 0.00 O ATOM 43 CB SER A 5 -4.553 -23.707 10.758 1.00 0.00 C ATOM 44 OG SER A 5 -4.827 -22.468 10.129 1.00 0.00 O ATOM 0 H SER A 5 -6.689 -24.925 10.586 1.00 0.00 H new ATOM 0 HA SER A 5 -4.592 -24.521 8.770 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.207 -23.833 11.621 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.529 -23.710 11.132 1.00 0.00 H new ATOM 0 HG SER A 5 -4.695 -21.739 10.771 1.00 0.00 H new ATOM 50 N SER A 6 -2.517 -25.797 9.575 1.00 0.00 N ATOM 51 CA SER A 6 -1.454 -26.774 9.784 1.00 0.00 C ATOM 52 C SER A 6 -0.083 -26.110 9.699 1.00 0.00 C ATOM 53 O SER A 6 0.774 -26.324 10.557 1.00 0.00 O ATOM 54 CB SER A 6 -1.554 -27.896 8.749 1.00 0.00 C ATOM 55 OG SER A 6 -0.986 -27.504 7.512 1.00 0.00 O ATOM 0 H SER A 6 -2.243 -24.988 9.017 1.00 0.00 H new ATOM 0 HA SER A 6 -1.573 -27.197 10.781 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.044 -28.784 9.121 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.600 -28.167 8.602 1.00 0.00 H new ATOM 0 HG SER A 6 -1.062 -28.240 6.869 1.00 0.00 H new ATOM 61 N GLY A 7 0.117 -25.306 8.662 1.00 0.00 N ATOM 62 CA GLY A 7 1.386 -24.624 8.486 1.00 0.00 C ATOM 63 C GLY A 7 1.490 -23.365 9.325 1.00 0.00 C ATOM 64 O GLY A 7 2.513 -23.120 9.963 1.00 0.00 O ATOM 0 H GLY A 7 -0.577 -25.114 7.939 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.198 -25.301 8.750 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.514 -24.368 7.434 1.00 0.00 H new ATOM 68 N GLN A 8 0.427 -22.567 9.326 1.00 0.00 N ATOM 69 CA GLN A 8 0.403 -21.328 10.094 1.00 0.00 C ATOM 70 C GLN A 8 1.494 -20.373 9.621 1.00 0.00 C ATOM 71 O GLN A 8 2.177 -20.636 8.631 1.00 0.00 O ATOM 72 CB GLN A 8 0.574 -21.624 11.585 1.00 0.00 C ATOM 73 CG GLN A 8 -0.732 -21.610 12.363 1.00 0.00 C ATOM 74 CD GLN A 8 -1.127 -20.216 12.814 1.00 0.00 C ATOM 75 OE1 GLN A 8 -1.687 -19.438 12.043 1.00 0.00 O ATOM 76 NE2 GLN A 8 -0.834 -19.896 14.069 1.00 0.00 N ATOM 0 H GLN A 8 -0.428 -22.756 8.804 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.564 -20.850 9.936 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.046 -22.600 11.701 1.00 0.00 H new ATOM 0 HB3 GLN A 8 1.252 -20.888 12.017 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.525 -22.025 11.742 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.638 -22.257 13.235 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.369 -20.574 14.673 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.074 -18.972 14.429 1.00 0.00 H new ATOM 85 N ALA A 9 1.652 -19.263 10.336 1.00 0.00 N ATOM 86 CA ALA A 9 2.660 -18.268 9.991 1.00 0.00 C ATOM 87 C ALA A 9 2.403 -17.681 8.607 1.00 0.00 C ATOM 88 O ALA A 9 3.332 -17.246 7.925 1.00 0.00 O ATOM 89 CB ALA A 9 4.051 -18.881 10.057 1.00 0.00 C ATOM 0 H ALA A 9 1.094 -19.031 11.158 1.00 0.00 H new ATOM 0 HA ALA A 9 2.597 -17.457 10.717 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.794 -18.127 9.797 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.241 -19.244 11.067 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.116 -19.712 9.354 1.00 0.00 H new ATOM 95 N LEU A 10 1.139 -17.671 8.197 1.00 0.00 N ATOM 96 CA LEU A 10 0.760 -17.136 6.893 1.00 0.00 C ATOM 97 C LEU A 10 1.518 -17.842 5.773 1.00 0.00 C ATOM 98 O LEU A 10 2.623 -17.438 5.407 1.00 0.00 O ATOM 99 CB LEU A 10 1.028 -15.629 6.841 1.00 0.00 C ATOM 100 CG LEU A 10 -0.206 -14.744 7.048 1.00 0.00 C ATOM 101 CD1 LEU A 10 0.002 -13.797 8.219 1.00 0.00 C ATOM 102 CD2 LEU A 10 -0.525 -13.966 5.779 1.00 0.00 C ATOM 0 H LEU A 10 0.359 -18.027 8.749 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.306 -17.313 6.750 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.767 -15.380 7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.472 -15.387 5.875 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.054 -15.389 7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.886 -13.178 8.348 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.178 -14.374 9.127 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.864 -13.159 8.022 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.404 -13.343 5.945 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.323 -13.334 5.517 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.723 -14.663 4.965 1.00 0.00 H new ATOM 114 N ALA A 11 0.917 -18.896 5.230 1.00 0.00 N ATOM 115 CA ALA A 11 1.536 -19.656 4.151 1.00 0.00 C ATOM 116 C ALA A 11 0.502 -20.084 3.117 1.00 0.00 C ATOM 117 O ALA A 11 -0.588 -20.540 3.466 1.00 0.00 O ATOM 118 CB ALA A 11 2.261 -20.872 4.711 1.00 0.00 C ATOM 0 H ALA A 11 0.003 -19.243 5.520 1.00 0.00 H new ATOM 0 HA ALA A 11 2.261 -19.011 3.655 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.719 -21.431 3.895 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.035 -20.546 5.406 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.549 -21.511 5.234 1.00 0.00 H new ATOM 124 N SER A 12 0.849 -19.935 1.843 1.00 0.00 N ATOM 125 CA SER A 12 -0.051 -20.307 0.757 1.00 0.00 C ATOM 126 C SER A 12 0.472 -21.533 0.013 1.00 0.00 C ATOM 127 O SER A 12 1.594 -21.981 0.247 1.00 0.00 O ATOM 128 CB SER A 12 -0.218 -19.139 -0.217 1.00 0.00 C ATOM 129 OG SER A 12 -1.414 -19.267 -0.966 1.00 0.00 O ATOM 0 H SER A 12 1.747 -19.559 1.537 1.00 0.00 H new ATOM 0 HA SER A 12 -1.021 -20.552 1.190 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.230 -18.199 0.335 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.636 -19.100 -0.893 1.00 0.00 H new ATOM 0 HG SER A 12 -1.498 -18.508 -1.580 1.00 0.00 H new ATOM 135 N ASP A 13 -0.349 -22.068 -0.884 1.00 0.00 N ATOM 136 CA ASP A 13 0.031 -23.242 -1.663 1.00 0.00 C ATOM 137 C ASP A 13 1.203 -22.927 -2.585 1.00 0.00 C ATOM 138 O ASP A 13 2.028 -23.793 -2.876 1.00 0.00 O ATOM 139 CB ASP A 13 -1.159 -23.741 -2.484 1.00 0.00 C ATOM 140 CG ASP A 13 -0.915 -25.112 -3.082 1.00 0.00 C ATOM 141 OD1 ASP A 13 -0.336 -25.183 -4.187 1.00 0.00 O ATOM 142 OD2 ASP A 13 -1.301 -26.116 -2.447 1.00 0.00 O ATOM 0 H ASP A 13 -1.281 -21.708 -1.090 1.00 0.00 H new ATOM 0 HA ASP A 13 0.339 -24.024 -0.969 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.045 -23.777 -1.850 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.368 -23.031 -3.284 1.00 0.00 H new ATOM 147 N SER A 14 1.271 -21.681 -3.044 1.00 0.00 N ATOM 148 CA SER A 14 2.342 -21.251 -3.935 1.00 0.00 C ATOM 149 C SER A 14 3.645 -21.063 -3.165 1.00 0.00 C ATOM 150 O SER A 14 3.644 -20.957 -1.938 1.00 0.00 O ATOM 151 CB SER A 14 1.957 -19.948 -4.637 1.00 0.00 C ATOM 152 OG SER A 14 1.082 -20.194 -5.724 1.00 0.00 O ATOM 0 H SER A 14 0.597 -20.951 -2.813 1.00 0.00 H new ATOM 0 HA SER A 14 2.493 -22.028 -4.685 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.478 -19.276 -3.925 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.855 -19.445 -4.996 1.00 0.00 H new ATOM 0 HG SER A 14 0.849 -19.345 -6.155 1.00 0.00 H new ATOM 158 N GLU A 15 4.756 -21.021 -3.894 1.00 0.00 N ATOM 159 CA GLU A 15 6.067 -20.845 -3.279 1.00 0.00 C ATOM 160 C GLU A 15 6.624 -19.453 -3.561 1.00 0.00 C ATOM 161 O GLU A 15 7.492 -18.963 -2.838 1.00 0.00 O ATOM 162 CB GLU A 15 7.040 -21.909 -3.791 1.00 0.00 C ATOM 163 CG GLU A 15 6.447 -23.308 -3.829 1.00 0.00 C ATOM 164 CD GLU A 15 6.000 -23.713 -5.220 1.00 0.00 C ATOM 165 OE1 GLU A 15 6.858 -23.776 -6.125 1.00 0.00 O ATOM 166 OE2 GLU A 15 4.791 -23.967 -5.404 1.00 0.00 O ATOM 0 H GLU A 15 4.775 -21.106 -4.910 1.00 0.00 H new ATOM 0 HA GLU A 15 5.950 -20.955 -2.201 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.370 -21.636 -4.793 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.925 -21.916 -3.155 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.186 -24.022 -3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.596 -23.357 -3.149 1.00 0.00 H new ATOM 173 N GLU A 16 6.121 -18.821 -4.615 1.00 0.00 N ATOM 174 CA GLU A 16 6.569 -17.485 -4.992 1.00 0.00 C ATOM 175 C GLU A 16 5.467 -16.730 -5.728 1.00 0.00 C ATOM 176 O GLU A 16 5.289 -16.893 -6.936 1.00 0.00 O ATOM 177 CB GLU A 16 7.818 -17.573 -5.870 1.00 0.00 C ATOM 178 CG GLU A 16 8.822 -16.461 -5.612 1.00 0.00 C ATOM 179 CD GLU A 16 9.742 -16.221 -6.793 1.00 0.00 C ATOM 180 OE1 GLU A 16 10.238 -17.211 -7.370 1.00 0.00 O ATOM 181 OE2 GLU A 16 9.966 -15.042 -7.141 1.00 0.00 O ATOM 0 H GLU A 16 5.402 -19.212 -5.224 1.00 0.00 H new ATOM 0 HA GLU A 16 6.812 -16.939 -4.081 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.303 -18.535 -5.703 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.518 -17.545 -6.918 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.287 -15.540 -5.380 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.420 -16.712 -4.736 1.00 0.00 H new ATOM 188 N ALA A 17 4.728 -15.905 -4.993 1.00 0.00 N ATOM 189 CA ALA A 17 3.643 -15.126 -5.576 1.00 0.00 C ATOM 190 C ALA A 17 3.372 -13.866 -4.762 1.00 0.00 C ATOM 191 O ALA A 17 2.631 -13.899 -3.779 1.00 0.00 O ATOM 192 CB ALA A 17 2.383 -15.972 -5.679 1.00 0.00 C ATOM 0 H ALA A 17 4.861 -15.759 -3.992 1.00 0.00 H new ATOM 0 HA ALA A 17 3.945 -14.821 -6.578 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.581 -15.378 -6.116 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.578 -16.839 -6.310 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.087 -16.306 -4.685 1.00 0.00 H new ATOM 198 N ASP A 18 3.974 -12.757 -5.177 1.00 0.00 N ATOM 199 CA ASP A 18 3.797 -11.485 -4.487 1.00 0.00 C ATOM 200 C ASP A 18 4.285 -11.576 -3.044 1.00 0.00 C ATOM 201 O ASP A 18 3.598 -12.120 -2.179 1.00 0.00 O ATOM 202 CB ASP A 18 2.326 -11.067 -4.516 1.00 0.00 C ATOM 203 CG ASP A 18 2.154 -9.576 -4.736 1.00 0.00 C ATOM 204 OD1 ASP A 18 2.567 -8.794 -3.855 1.00 0.00 O ATOM 205 OD2 ASP A 18 1.605 -9.191 -5.790 1.00 0.00 O ATOM 0 H ASP A 18 4.590 -12.713 -5.989 1.00 0.00 H new ATOM 0 HA ASP A 18 4.392 -10.732 -5.005 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.812 -11.610 -5.309 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.852 -11.350 -3.576 1.00 0.00 H new ATOM 210 N GLU A 19 5.474 -11.039 -2.792 1.00 0.00 N ATOM 211 CA GLU A 19 6.053 -11.058 -1.454 1.00 0.00 C ATOM 212 C GLU A 19 5.768 -9.753 -0.719 1.00 0.00 C ATOM 213 O GLU A 19 5.912 -8.668 -1.283 1.00 0.00 O ATOM 214 CB GLU A 19 7.564 -11.298 -1.534 1.00 0.00 C ATOM 215 CG GLU A 19 7.976 -12.711 -1.156 1.00 0.00 C ATOM 216 CD GLU A 19 7.388 -13.757 -2.081 1.00 0.00 C ATOM 217 OE1 GLU A 19 7.491 -13.584 -3.314 1.00 0.00 O ATOM 218 OE2 GLU A 19 6.826 -14.750 -1.574 1.00 0.00 O ATOM 0 H GLU A 19 6.055 -10.585 -3.497 1.00 0.00 H new ATOM 0 HA GLU A 19 5.593 -11.873 -0.896 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.904 -11.088 -2.548 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.071 -10.592 -0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.063 -12.785 -1.174 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.659 -12.916 -0.133 1.00 0.00 H new ATOM 225 N VAL A 20 5.361 -9.865 0.540 1.00 0.00 N ATOM 226 CA VAL A 20 5.054 -8.694 1.354 1.00 0.00 C ATOM 227 C VAL A 20 6.297 -8.199 2.094 1.00 0.00 C ATOM 228 O VAL A 20 6.797 -8.869 2.997 1.00 0.00 O ATOM 229 CB VAL A 20 3.949 -9.001 2.382 1.00 0.00 C ATOM 230 CG1 VAL A 20 3.507 -7.727 3.086 1.00 0.00 C ATOM 231 CG2 VAL A 20 2.769 -9.684 1.709 1.00 0.00 C ATOM 0 H VAL A 20 5.236 -10.756 1.020 1.00 0.00 H new ATOM 0 HA VAL A 20 4.704 -7.917 0.674 1.00 0.00 H new ATOM 0 HB VAL A 20 4.353 -9.681 3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.726 -7.963 3.809 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.358 -7.283 3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.120 -7.021 2.351 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.998 -9.893 2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.362 -9.031 0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.100 -10.619 1.256 1.00 0.00 H new ATOM 241 N PRO A 21 6.814 -7.012 1.724 1.00 0.00 N ATOM 242 CA PRO A 21 8.004 -6.439 2.364 1.00 0.00 C ATOM 243 C PRO A 21 7.854 -6.339 3.879 1.00 0.00 C ATOM 244 O PRO A 21 6.741 -6.342 4.405 1.00 0.00 O ATOM 245 CB PRO A 21 8.108 -5.043 1.745 1.00 0.00 C ATOM 246 CG PRO A 21 7.397 -5.150 0.441 1.00 0.00 C ATOM 247 CD PRO A 21 6.286 -6.139 0.658 1.00 0.00 C ATOM 0 HA PRO A 21 8.888 -7.056 2.204 1.00 0.00 H new ATOM 0 HB2 PRO A 21 7.648 -4.291 2.386 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.148 -4.749 1.605 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.003 -4.182 0.130 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.072 -5.487 -0.346 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.362 -5.646 0.962 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.064 -6.701 -0.249 1.00 0.00 H new ATOM 255 N GLU A 22 8.983 -6.248 4.575 1.00 0.00 N ATOM 256 CA GLU A 22 8.979 -6.147 6.029 1.00 0.00 C ATOM 257 C GLU A 22 8.644 -4.727 6.475 1.00 0.00 C ATOM 258 O GLU A 22 7.916 -4.526 7.446 1.00 0.00 O ATOM 259 CB GLU A 22 10.338 -6.565 6.595 1.00 0.00 C ATOM 260 CG GLU A 22 10.500 -8.069 6.740 1.00 0.00 C ATOM 261 CD GLU A 22 9.817 -8.611 7.981 1.00 0.00 C ATOM 262 OE1 GLU A 22 8.792 -8.031 8.395 1.00 0.00 O ATOM 263 OE2 GLU A 22 10.308 -9.616 8.537 1.00 0.00 O ATOM 0 H GLU A 22 9.912 -6.242 4.155 1.00 0.00 H new ATOM 0 HA GLU A 22 8.212 -6.820 6.412 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.126 -6.184 5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.476 -6.097 7.570 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.089 -8.562 5.859 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.561 -8.315 6.777 1.00 0.00 H new ATOM 270 N TRP A 23 9.182 -3.745 5.758 1.00 0.00 N ATOM 271 CA TRP A 23 8.939 -2.344 6.078 1.00 0.00 C ATOM 272 C TRP A 23 7.467 -1.991 5.901 1.00 0.00 C ATOM 273 O TRP A 23 6.933 -1.134 6.604 1.00 0.00 O ATOM 274 CB TRP A 23 9.802 -1.440 5.196 1.00 0.00 C ATOM 275 CG TRP A 23 9.740 -1.796 3.742 1.00 0.00 C ATOM 276 CD1 TRP A 23 10.636 -2.554 3.044 1.00 0.00 C ATOM 277 CD2 TRP A 23 8.727 -1.408 2.807 1.00 0.00 C ATOM 278 NE1 TRP A 23 10.242 -2.660 1.732 1.00 0.00 N ATOM 279 CE2 TRP A 23 9.073 -1.967 1.561 1.00 0.00 C ATOM 280 CE3 TRP A 23 7.560 -0.644 2.901 1.00 0.00 C ATOM 281 CZ2 TRP A 23 8.295 -1.784 0.421 1.00 0.00 C ATOM 282 CZ3 TRP A 23 6.789 -0.464 1.768 1.00 0.00 C ATOM 283 CH2 TRP A 23 7.158 -1.032 0.543 1.00 0.00 C ATOM 0 H TRP A 23 9.789 -3.894 4.952 1.00 0.00 H new ATOM 0 HA TRP A 23 9.208 -2.185 7.122 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.481 -0.406 5.324 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.837 -1.496 5.533 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.524 -3.004 3.462 1.00 0.00 H new ATOM 0 HE1 TRP A 23 10.739 -3.172 1.003 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.266 -0.202 3.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 8.579 -2.220 -0.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 5.886 0.125 1.829 1.00 0.00 H new ATOM 0 HH2 TRP A 23 6.533 -0.874 -0.323 1.00 0.00 H new ATOM 294 N LEU A 24 6.815 -2.659 4.954 1.00 0.00 N ATOM 295 CA LEU A 24 5.402 -2.415 4.681 1.00 0.00 C ATOM 296 C LEU A 24 4.549 -2.740 5.903 1.00 0.00 C ATOM 297 O LEU A 24 4.455 -3.894 6.319 1.00 0.00 O ATOM 298 CB LEU A 24 4.943 -3.253 3.486 1.00 0.00 C ATOM 299 CG LEU A 24 3.539 -2.929 2.970 1.00 0.00 C ATOM 300 CD1 LEU A 24 3.521 -1.567 2.294 1.00 0.00 C ATOM 301 CD2 LEU A 24 3.063 -4.011 2.012 1.00 0.00 C ATOM 0 H LEU A 24 7.242 -3.373 4.363 1.00 0.00 H new ATOM 0 HA LEU A 24 5.278 -1.358 4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.654 -3.116 2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.977 -4.306 3.765 1.00 0.00 H new ATOM 0 HG LEU A 24 2.856 -2.898 3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.515 -1.353 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.820 -0.801 3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.215 -1.569 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.063 -3.766 1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.746 -4.074 1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.038 -4.970 2.530 1.00 0.00 H new ATOM 313 N ARG A 25 3.927 -1.712 6.473 1.00 0.00 N ATOM 314 CA ARG A 25 3.080 -1.887 7.647 1.00 0.00 C ATOM 315 C ARG A 25 2.179 -0.672 7.853 1.00 0.00 C ATOM 316 O ARG A 25 2.440 0.403 7.314 1.00 0.00 O ATOM 317 CB ARG A 25 3.937 -2.118 8.894 1.00 0.00 C ATOM 318 CG ARG A 25 5.153 -1.207 8.975 1.00 0.00 C ATOM 319 CD ARG A 25 5.293 -0.577 10.353 1.00 0.00 C ATOM 320 NE ARG A 25 6.639 -0.744 10.896 1.00 0.00 N ATOM 321 CZ ARG A 25 7.076 -1.868 11.461 1.00 0.00 C ATOM 322 NH1 ARG A 25 6.279 -2.925 11.557 1.00 0.00 N ATOM 323 NH2 ARG A 25 8.315 -1.935 11.930 1.00 0.00 N ATOM 0 H ARG A 25 3.994 -0.750 6.141 1.00 0.00 H new ATOM 0 HA ARG A 25 2.451 -2.761 7.482 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.321 -1.968 9.781 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.269 -3.156 8.909 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.052 -1.778 8.743 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.071 -0.422 8.223 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.056 0.485 10.292 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.569 -1.027 11.033 1.00 0.00 H new ATOM 0 HE ARG A 25 7.281 0.046 10.839 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.326 -2.879 11.197 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.620 -3.783 11.991 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.932 -1.126 11.858 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.651 -2.795 12.363 1.00 0.00 H new ATOM 337 N GLU A 26 1.120 -0.853 8.635 1.00 0.00 N ATOM 338 CA GLU A 26 0.179 0.228 8.913 1.00 0.00 C ATOM 339 C GLU A 26 0.895 1.437 9.507 1.00 0.00 C ATOM 340 O GLU A 26 1.680 1.307 10.447 1.00 0.00 O ATOM 341 CB GLU A 26 -0.914 -0.253 9.870 1.00 0.00 C ATOM 342 CG GLU A 26 -1.571 -1.553 9.439 1.00 0.00 C ATOM 343 CD GLU A 26 -2.923 -1.768 10.092 1.00 0.00 C ATOM 344 OE1 GLU A 26 -3.623 -0.766 10.350 1.00 0.00 O ATOM 345 OE2 GLU A 26 -3.280 -2.937 10.346 1.00 0.00 O ATOM 0 H GLU A 26 0.891 -1.738 9.088 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.278 0.528 7.970 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.484 -0.385 10.863 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.678 0.520 9.954 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.691 -1.553 8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.915 -2.387 9.688 1.00 0.00 H new ATOM 352 N GLY A 27 0.620 2.614 8.952 1.00 0.00 N ATOM 353 CA GLY A 27 1.247 3.827 9.439 1.00 0.00 C ATOM 354 C GLY A 27 2.505 4.184 8.669 1.00 0.00 C ATOM 355 O GLY A 27 2.955 5.329 8.699 1.00 0.00 O ATOM 0 H GLY A 27 -0.026 2.748 8.174 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.537 4.651 9.370 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.493 3.706 10.494 1.00 0.00 H new ATOM 359 N GLU A 28 3.074 3.200 7.977 1.00 0.00 N ATOM 360 CA GLU A 28 4.287 3.418 7.197 1.00 0.00 C ATOM 361 C GLU A 28 3.978 4.165 5.905 1.00 0.00 C ATOM 362 O GLU A 28 2.962 3.911 5.256 1.00 0.00 O ATOM 363 CB GLU A 28 4.958 2.079 6.878 1.00 0.00 C ATOM 364 CG GLU A 28 6.331 2.223 6.243 1.00 0.00 C ATOM 365 CD GLU A 28 7.347 2.839 7.185 1.00 0.00 C ATOM 366 OE1 GLU A 28 7.486 2.336 8.320 1.00 0.00 O ATOM 367 OE2 GLU A 28 8.005 3.822 6.786 1.00 0.00 O ATOM 0 H GLU A 28 2.715 2.246 7.941 1.00 0.00 H new ATOM 0 HA GLU A 28 4.967 4.027 7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.051 1.500 7.797 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.314 1.510 6.207 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.684 1.242 5.924 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.250 2.840 5.348 1.00 0.00 H new ATOM 374 N PHE A 29 4.861 5.087 5.535 1.00 0.00 N ATOM 375 CA PHE A 29 4.684 5.872 4.319 1.00 0.00 C ATOM 376 C PHE A 29 5.034 5.047 3.084 1.00 0.00 C ATOM 377 O PHE A 29 5.976 4.255 3.101 1.00 0.00 O ATOM 378 CB PHE A 29 5.551 7.132 4.370 1.00 0.00 C ATOM 379 CG PHE A 29 4.796 8.362 4.784 1.00 0.00 C ATOM 380 CD1 PHE A 29 3.592 8.689 4.181 1.00 0.00 C ATOM 381 CD2 PHE A 29 5.290 9.194 5.778 1.00 0.00 C ATOM 382 CE1 PHE A 29 2.895 9.821 4.561 1.00 0.00 C ATOM 383 CE2 PHE A 29 4.599 10.326 6.161 1.00 0.00 C ATOM 384 CZ PHE A 29 3.399 10.640 5.552 1.00 0.00 C ATOM 0 H PHE A 29 5.707 5.309 6.060 1.00 0.00 H new ATOM 0 HA PHE A 29 3.636 6.164 4.253 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.374 6.969 5.066 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.992 7.300 3.388 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.193 8.052 3.405 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.227 8.953 6.258 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.957 10.064 4.083 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.996 10.965 6.936 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.856 11.525 5.851 1.00 0.00 H new ATOM 394 N VAL A 30 4.270 5.238 2.014 1.00 0.00 N ATOM 395 CA VAL A 30 4.500 4.513 0.771 1.00 0.00 C ATOM 396 C VAL A 30 4.102 5.354 -0.437 1.00 0.00 C ATOM 397 O VAL A 30 3.554 6.447 -0.292 1.00 0.00 O ATOM 398 CB VAL A 30 3.715 3.188 0.741 1.00 0.00 C ATOM 399 CG1 VAL A 30 4.225 2.240 1.815 1.00 0.00 C ATOM 400 CG2 VAL A 30 2.225 3.444 0.909 1.00 0.00 C ATOM 0 H VAL A 30 3.486 5.889 1.983 1.00 0.00 H new ATOM 0 HA VAL A 30 5.567 4.296 0.724 1.00 0.00 H new ATOM 0 HB VAL A 30 3.871 2.718 -0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.658 1.310 1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.280 2.029 1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.102 2.701 2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.688 2.496 0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.046 3.938 1.864 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.872 4.082 0.099 1.00 0.00 H new ATOM 410 N THR A 31 4.380 4.836 -1.629 1.00 0.00 N ATOM 411 CA THR A 31 4.051 5.539 -2.863 1.00 0.00 C ATOM 412 C THR A 31 3.564 4.566 -3.931 1.00 0.00 C ATOM 413 O THR A 31 4.053 3.440 -4.029 1.00 0.00 O ATOM 414 CB THR A 31 5.270 6.309 -3.376 1.00 0.00 C ATOM 415 OG1 THR A 31 4.986 6.924 -4.620 1.00 0.00 O ATOM 416 CG2 THR A 31 6.493 5.439 -3.563 1.00 0.00 C ATOM 0 H THR A 31 4.832 3.932 -1.766 1.00 0.00 H new ATOM 0 HA THR A 31 3.248 6.244 -2.647 1.00 0.00 H new ATOM 0 HB THR A 31 5.487 7.051 -2.608 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.776 7.413 -4.931 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.320 6.048 -3.928 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.768 4.988 -2.610 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.274 4.653 -4.286 1.00 0.00 H new ATOM 424 N VAL A 32 2.597 5.006 -4.730 1.00 0.00 N ATOM 425 CA VAL A 32 2.044 4.173 -5.790 1.00 0.00 C ATOM 426 C VAL A 32 2.793 4.381 -7.101 1.00 0.00 C ATOM 427 O VAL A 32 2.931 3.457 -7.903 1.00 0.00 O ATOM 428 CB VAL A 32 0.549 4.469 -6.014 1.00 0.00 C ATOM 429 CG1 VAL A 32 -0.057 3.461 -6.978 1.00 0.00 C ATOM 430 CG2 VAL A 32 -0.200 4.468 -4.690 1.00 0.00 C ATOM 0 H VAL A 32 2.181 5.935 -4.663 1.00 0.00 H new ATOM 0 HA VAL A 32 2.159 3.137 -5.470 1.00 0.00 H new ATOM 0 HB VAL A 32 0.457 5.461 -6.457 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.113 3.686 -7.124 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.461 3.516 -7.935 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.046 2.457 -6.567 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.254 4.679 -4.868 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.100 3.491 -4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.217 5.233 -4.035 1.00 0.00 H new ATOM 440 N GLY A 33 3.275 5.601 -7.314 1.00 0.00 N ATOM 441 CA GLY A 33 4.005 5.909 -8.530 1.00 0.00 C ATOM 442 C GLY A 33 3.533 7.196 -9.179 1.00 0.00 C ATOM 443 O GLY A 33 3.896 8.289 -8.743 1.00 0.00 O ATOM 0 H GLY A 33 3.173 6.382 -6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.068 5.989 -8.302 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.892 5.087 -9.236 1.00 0.00 H new ATOM 447 N ALA A 34 2.723 7.067 -10.225 1.00 0.00 N ATOM 448 CA ALA A 34 2.202 8.228 -10.935 1.00 0.00 C ATOM 449 C ALA A 34 0.757 8.513 -10.536 1.00 0.00 C ATOM 450 O ALA A 34 -0.046 8.960 -11.354 1.00 0.00 O ATOM 451 CB ALA A 34 2.304 8.016 -12.437 1.00 0.00 C ATOM 0 H ALA A 34 2.414 6.170 -10.599 1.00 0.00 H new ATOM 0 HA ALA A 34 2.805 9.093 -10.659 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.911 8.891 -12.955 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.348 7.869 -12.714 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.726 7.136 -12.720 1.00 0.00 H new ATOM 457 N HIS A 35 0.435 8.252 -9.273 1.00 0.00 N ATOM 458 CA HIS A 35 -0.913 8.481 -8.765 1.00 0.00 C ATOM 459 C HIS A 35 -0.896 9.472 -7.605 1.00 0.00 C ATOM 460 O HIS A 35 -1.256 10.638 -7.766 1.00 0.00 O ATOM 461 CB HIS A 35 -1.543 7.160 -8.317 1.00 0.00 C ATOM 462 CG HIS A 35 -2.456 6.555 -9.339 1.00 0.00 C ATOM 463 ND1 HIS A 35 -3.816 6.429 -9.174 1.00 0.00 N ATOM 464 CD2 HIS A 35 -2.177 6.035 -10.561 1.00 0.00 C ATOM 465 CE1 HIS A 35 -4.312 5.849 -10.276 1.00 0.00 C ATOM 466 NE2 HIS A 35 -3.358 5.590 -11.149 1.00 0.00 N ATOM 0 H HIS A 35 1.089 7.882 -8.583 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.512 8.905 -9.571 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.750 6.449 -8.084 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.102 7.327 -7.396 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.195 5.976 -11.007 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.357 5.623 -10.429 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -3.463 5.154 -12.065 1.00 0.00 H new ATOM 474 N LYS A 36 -0.474 8.999 -6.436 1.00 0.00 N ATOM 475 CA LYS A 36 -0.408 9.842 -5.248 1.00 0.00 C ATOM 476 C LYS A 36 0.170 9.073 -4.065 1.00 0.00 C ATOM 477 O LYS A 36 0.033 7.852 -3.979 1.00 0.00 O ATOM 478 CB LYS A 36 -1.800 10.372 -4.895 1.00 0.00 C ATOM 479 CG LYS A 36 -1.780 11.733 -4.220 1.00 0.00 C ATOM 480 CD LYS A 36 -1.766 12.861 -5.240 1.00 0.00 C ATOM 481 CE LYS A 36 -0.363 13.121 -5.763 1.00 0.00 C ATOM 482 NZ LYS A 36 -0.240 14.474 -6.373 1.00 0.00 N ATOM 0 H LYS A 36 -0.173 8.036 -6.287 1.00 0.00 H new ATOM 0 HA LYS A 36 0.250 10.683 -5.467 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.397 10.436 -5.805 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.296 9.657 -4.238 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.654 11.834 -3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.902 11.810 -3.579 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.425 12.610 -6.071 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.160 13.770 -4.785 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.353 13.024 -4.946 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.105 12.364 -6.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.731 14.612 -6.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.905 14.558 -7.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.461 15.198 -5.660 1.00 0.00 H new ATOM 496 N THR A 37 0.817 9.794 -3.155 1.00 0.00 N ATOM 497 CA THR A 37 1.416 9.178 -1.977 1.00 0.00 C ATOM 498 C THR A 37 0.398 9.063 -0.847 1.00 0.00 C ATOM 499 O THR A 37 -0.473 9.920 -0.692 1.00 0.00 O ATOM 500 CB THR A 37 2.625 9.989 -1.509 1.00 0.00 C ATOM 501 OG1 THR A 37 2.250 11.324 -1.218 1.00 0.00 O ATOM 502 CG2 THR A 37 3.742 10.038 -2.528 1.00 0.00 C ATOM 0 H THR A 37 0.940 10.805 -3.211 1.00 0.00 H new ATOM 0 HA THR A 37 1.745 8.175 -2.250 1.00 0.00 H new ATOM 0 HB THR A 37 2.990 9.478 -0.618 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.036 11.827 -0.919 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.569 10.629 -2.133 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.087 9.026 -2.738 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.376 10.495 -3.447 1.00 0.00 H new ATOM 510 N GLY A 38 0.512 7.999 -0.060 1.00 0.00 N ATOM 511 CA GLY A 38 -0.406 7.792 1.046 1.00 0.00 C ATOM 512 C GLY A 38 0.118 6.790 2.056 1.00 0.00 C ATOM 513 O GLY A 38 0.881 5.889 1.709 1.00 0.00 O ATOM 0 H GLY A 38 1.223 7.276 -0.168 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.589 8.744 1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.364 7.445 0.659 1.00 0.00 H new ATOM 517 N VAL A 39 -0.291 6.948 3.311 1.00 0.00 N ATOM 518 CA VAL A 39 0.142 6.051 4.375 1.00 0.00 C ATOM 519 C VAL A 39 -0.593 4.717 4.302 1.00 0.00 C ATOM 520 O VAL A 39 -1.725 4.645 3.822 1.00 0.00 O ATOM 521 CB VAL A 39 -0.087 6.675 5.765 1.00 0.00 C ATOM 522 CG1 VAL A 39 0.522 5.802 6.852 1.00 0.00 C ATOM 523 CG2 VAL A 39 0.484 8.083 5.819 1.00 0.00 C ATOM 0 H VAL A 39 -0.922 7.689 3.615 1.00 0.00 H new ATOM 0 HA VAL A 39 1.210 5.883 4.232 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.161 6.736 5.942 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.349 6.260 7.826 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.059 4.815 6.828 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.594 5.704 6.682 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.313 8.507 6.808 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.555 8.049 5.619 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.006 8.703 5.068 1.00 0.00 H new ATOM 533 N VAL A 40 0.057 3.662 4.781 1.00 0.00 N ATOM 534 CA VAL A 40 -0.534 2.331 4.772 1.00 0.00 C ATOM 535 C VAL A 40 -1.546 2.170 5.901 1.00 0.00 C ATOM 536 O VAL A 40 -1.221 2.373 7.072 1.00 0.00 O ATOM 537 CB VAL A 40 0.541 1.236 4.902 1.00 0.00 C ATOM 538 CG1 VAL A 40 -0.070 -0.142 4.709 1.00 0.00 C ATOM 539 CG2 VAL A 40 1.668 1.472 3.909 1.00 0.00 C ATOM 0 H VAL A 40 0.995 3.704 5.181 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.041 2.219 3.814 1.00 0.00 H new ATOM 0 HB VAL A 40 0.959 1.283 5.908 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.706 -0.901 4.805 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.836 -0.309 5.466 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.519 -0.205 3.718 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.418 0.688 4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.269 1.456 2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.127 2.442 4.103 1.00 0.00 H new ATOM 549 N ARG A 41 -2.773 1.805 5.544 1.00 0.00 N ATOM 550 CA ARG A 41 -3.832 1.618 6.529 1.00 0.00 C ATOM 551 C ARG A 41 -4.106 0.135 6.757 1.00 0.00 C ATOM 552 O ARG A 41 -4.389 -0.290 7.878 1.00 0.00 O ATOM 553 CB ARG A 41 -5.112 2.322 6.075 1.00 0.00 C ATOM 554 CG ARG A 41 -4.898 3.771 5.665 1.00 0.00 C ATOM 555 CD ARG A 41 -4.328 4.599 6.808 1.00 0.00 C ATOM 556 NE ARG A 41 -5.276 5.608 7.278 1.00 0.00 N ATOM 557 CZ ARG A 41 -6.203 5.384 8.207 1.00 0.00 C ATOM 558 NH1 ARG A 41 -6.319 4.187 8.769 1.00 0.00 N ATOM 559 NH2 ARG A 41 -7.021 6.361 8.574 1.00 0.00 N ATOM 0 H ARG A 41 -3.058 1.633 4.580 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.500 2.057 7.470 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.539 1.775 5.235 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.843 2.286 6.883 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.220 3.812 4.812 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.845 4.201 5.340 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.060 3.941 7.634 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.411 5.088 6.479 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.224 6.541 6.869 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.695 3.430 8.490 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.032 4.024 9.480 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.940 7.283 8.145 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.732 6.191 9.286 1.00 0.00 H new ATOM 573 N TYR A 42 -4.019 -0.649 5.687 1.00 0.00 N ATOM 574 CA TYR A 42 -4.257 -2.086 5.770 1.00 0.00 C ATOM 575 C TYR A 42 -3.107 -2.865 5.141 1.00 0.00 C ATOM 576 O TYR A 42 -2.454 -2.387 4.214 1.00 0.00 O ATOM 577 CB TYR A 42 -5.572 -2.448 5.078 1.00 0.00 C ATOM 578 CG TYR A 42 -6.055 -3.847 5.390 1.00 0.00 C ATOM 579 CD1 TYR A 42 -6.443 -4.198 6.677 1.00 0.00 C ATOM 580 CD2 TYR A 42 -6.122 -4.817 4.397 1.00 0.00 C ATOM 581 CE1 TYR A 42 -6.884 -5.475 6.966 1.00 0.00 C ATOM 582 CE2 TYR A 42 -6.562 -6.097 4.679 1.00 0.00 C ATOM 583 CZ TYR A 42 -6.942 -6.420 5.963 1.00 0.00 C ATOM 584 OH TYR A 42 -7.381 -7.693 6.247 1.00 0.00 O ATOM 0 H TYR A 42 -3.786 -0.314 4.752 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.323 -2.357 6.824 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.339 -1.733 5.376 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.445 -2.348 4.000 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.399 -3.460 7.465 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.826 -4.567 3.389 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.182 -5.732 7.972 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -6.608 -6.840 3.896 1.00 0.00 H new ATOM 0 HH TYR A 42 -7.362 -8.235 5.431 1.00 0.00 H new ATOM 594 N VAL A 43 -2.865 -4.068 5.652 1.00 0.00 N ATOM 595 CA VAL A 43 -1.794 -4.915 5.140 1.00 0.00 C ATOM 596 C VAL A 43 -2.132 -6.391 5.312 1.00 0.00 C ATOM 597 O VAL A 43 -2.015 -6.942 6.406 1.00 0.00 O ATOM 598 CB VAL A 43 -0.458 -4.620 5.847 1.00 0.00 C ATOM 599 CG1 VAL A 43 0.681 -5.364 5.168 1.00 0.00 C ATOM 600 CG2 VAL A 43 -0.186 -3.123 5.875 1.00 0.00 C ATOM 0 H VAL A 43 -3.396 -4.478 6.420 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.692 -4.689 4.078 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.528 -4.971 6.876 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.617 -5.143 5.681 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.490 -6.436 5.207 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.754 -5.046 4.128 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.762 -2.935 6.379 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.137 -2.743 4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.989 -2.617 6.412 1.00 0.00 H new ATOM 610 N GLY A 44 -2.552 -7.027 4.223 1.00 0.00 N ATOM 611 CA GLY A 44 -2.900 -8.435 4.275 1.00 0.00 C ATOM 612 C GLY A 44 -3.840 -8.843 3.155 1.00 0.00 C ATOM 613 O GLY A 44 -4.329 -7.991 2.414 1.00 0.00 O ATOM 0 H GLY A 44 -2.657 -6.593 3.306 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.991 -9.033 4.218 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.367 -8.655 5.235 1.00 0.00 H new ATOM 617 N PRO A 45 -4.114 -10.150 3.008 1.00 0.00 N ATOM 618 CA PRO A 45 -5.008 -10.656 1.961 1.00 0.00 C ATOM 619 C PRO A 45 -6.464 -10.277 2.211 1.00 0.00 C ATOM 620 O PRO A 45 -6.822 -9.833 3.301 1.00 0.00 O ATOM 621 CB PRO A 45 -4.829 -12.173 2.044 1.00 0.00 C ATOM 622 CG PRO A 45 -4.396 -12.428 3.445 1.00 0.00 C ATOM 623 CD PRO A 45 -3.576 -11.236 3.849 1.00 0.00 C ATOM 0 HA PRO A 45 -4.769 -10.238 0.983 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.759 -12.694 1.816 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.084 -12.523 1.330 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.256 -12.551 4.103 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.810 -13.345 3.512 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.686 -11.014 4.911 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.514 -11.398 3.665 1.00 0.00 H new ATOM 631 N ALA A 46 -7.300 -10.456 1.192 1.00 0.00 N ATOM 632 CA ALA A 46 -8.716 -10.132 1.301 1.00 0.00 C ATOM 633 C ALA A 46 -9.555 -11.391 1.491 1.00 0.00 C ATOM 634 O ALA A 46 -9.020 -12.497 1.581 1.00 0.00 O ATOM 635 CB ALA A 46 -9.179 -9.370 0.068 1.00 0.00 C ATOM 0 H ALA A 46 -7.020 -10.824 0.283 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.852 -9.500 2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.239 -9.134 0.163 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.609 -8.446 -0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.022 -9.983 -0.819 1.00 0.00 H new ATOM 641 N ASP A 47 -10.871 -11.217 1.551 1.00 0.00 N ATOM 642 CA ASP A 47 -11.784 -12.340 1.731 1.00 0.00 C ATOM 643 C ASP A 47 -12.450 -12.716 0.412 1.00 0.00 C ATOM 644 O ASP A 47 -12.773 -13.880 0.178 1.00 0.00 O ATOM 645 CB ASP A 47 -12.849 -11.997 2.774 1.00 0.00 C ATOM 646 CG ASP A 47 -13.513 -10.660 2.505 1.00 0.00 C ATOM 647 OD1 ASP A 47 -12.795 -9.639 2.454 1.00 0.00 O ATOM 648 OD2 ASP A 47 -14.752 -10.634 2.346 1.00 0.00 O ATOM 0 H ASP A 47 -11.329 -10.309 1.478 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.205 -13.194 2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.607 -12.780 2.786 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.392 -11.980 3.764 1.00 0.00 H new ATOM 653 N PHE A 48 -12.654 -11.722 -0.448 1.00 0.00 N ATOM 654 CA PHE A 48 -13.281 -11.950 -1.745 1.00 0.00 C ATOM 655 C PHE A 48 -12.247 -12.360 -2.787 1.00 0.00 C ATOM 656 O PHE A 48 -12.464 -13.296 -3.556 1.00 0.00 O ATOM 657 CB PHE A 48 -14.017 -10.690 -2.208 1.00 0.00 C ATOM 658 CG PHE A 48 -13.120 -9.495 -2.366 1.00 0.00 C ATOM 659 CD1 PHE A 48 -12.892 -8.636 -1.304 1.00 0.00 C ATOM 660 CD2 PHE A 48 -12.506 -9.231 -3.581 1.00 0.00 C ATOM 661 CE1 PHE A 48 -12.068 -7.536 -1.447 1.00 0.00 C ATOM 662 CE2 PHE A 48 -11.681 -8.132 -3.730 1.00 0.00 C ATOM 663 CZ PHE A 48 -11.462 -7.284 -2.663 1.00 0.00 C ATOM 0 H PHE A 48 -12.394 -10.752 -0.270 1.00 0.00 H new ATOM 0 HA PHE A 48 -13.999 -12.763 -1.634 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -14.507 -10.894 -3.160 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -14.802 -10.453 -1.490 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -13.364 -8.828 -0.352 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -12.674 -9.891 -4.419 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -11.898 -6.875 -0.610 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -11.208 -7.937 -4.681 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.818 -6.425 -2.778 1.00 0.00 H new ATOM 673 N GLN A 49 -11.121 -11.652 -2.807 1.00 0.00 N ATOM 674 CA GLN A 49 -10.052 -11.944 -3.756 1.00 0.00 C ATOM 675 C GLN A 49 -8.793 -12.410 -3.031 1.00 0.00 C ATOM 676 O GLN A 49 -8.561 -12.054 -1.877 1.00 0.00 O ATOM 677 CB GLN A 49 -9.739 -10.705 -4.598 1.00 0.00 C ATOM 678 CG GLN A 49 -10.632 -10.559 -5.820 1.00 0.00 C ATOM 679 CD GLN A 49 -9.846 -10.523 -7.117 1.00 0.00 C ATOM 680 OE1 GLN A 49 -8.896 -9.753 -7.258 1.00 0.00 O ATOM 681 NE2 GLN A 49 -10.239 -11.358 -8.072 1.00 0.00 N ATOM 0 H GLN A 49 -10.926 -10.873 -2.178 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.390 -12.746 -4.412 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.842 -9.817 -3.975 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.699 -10.749 -4.921 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.338 -11.389 -5.850 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -11.218 -9.645 -5.730 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.032 -11.979 -7.912 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.748 -11.378 -8.966 1.00 0.00 H new ATOM 690 N GLU A 50 -7.985 -13.211 -3.718 1.00 0.00 N ATOM 691 CA GLU A 50 -6.750 -13.727 -3.142 1.00 0.00 C ATOM 692 C GLU A 50 -5.634 -12.692 -3.231 1.00 0.00 C ATOM 693 O GLU A 50 -5.851 -11.567 -3.682 1.00 0.00 O ATOM 694 CB GLU A 50 -6.328 -15.013 -3.856 1.00 0.00 C ATOM 695 CG GLU A 50 -7.353 -16.130 -3.755 1.00 0.00 C ATOM 696 CD GLU A 50 -7.342 -17.044 -4.963 1.00 0.00 C ATOM 697 OE1 GLU A 50 -6.238 -17.401 -5.427 1.00 0.00 O ATOM 698 OE2 GLU A 50 -8.435 -17.403 -5.448 1.00 0.00 O ATOM 0 H GLU A 50 -8.164 -13.517 -4.675 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.933 -13.947 -2.090 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.147 -14.792 -4.908 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.384 -15.359 -3.436 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.157 -16.718 -2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.347 -15.697 -3.641 1.00 0.00 H new ATOM 705 N GLY A 51 -4.438 -13.079 -2.797 1.00 0.00 N ATOM 706 CA GLY A 51 -3.306 -12.172 -2.836 1.00 0.00 C ATOM 707 C GLY A 51 -3.369 -11.119 -1.748 1.00 0.00 C ATOM 708 O GLY A 51 -4.452 -10.746 -1.296 1.00 0.00 O ATOM 0 H GLY A 51 -4.233 -14.004 -2.419 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.383 -12.743 -2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.270 -11.683 -3.809 1.00 0.00 H new ATOM 712 N THR A 52 -2.204 -10.639 -1.324 1.00 0.00 N ATOM 713 CA THR A 52 -2.130 -9.622 -0.282 1.00 0.00 C ATOM 714 C THR A 52 -2.550 -8.258 -0.820 1.00 0.00 C ATOM 715 O THR A 52 -2.298 -7.934 -1.980 1.00 0.00 O ATOM 716 CB THR A 52 -0.711 -9.545 0.284 1.00 0.00 C ATOM 717 OG1 THR A 52 -0.119 -10.830 0.328 1.00 0.00 O ATOM 718 CG2 THR A 52 -0.655 -8.965 1.681 1.00 0.00 C ATOM 0 H THR A 52 -1.299 -10.938 -1.686 1.00 0.00 H new ATOM 0 HA THR A 52 -2.818 -9.904 0.515 1.00 0.00 H new ATOM 0 HB THR A 52 -0.167 -8.882 -0.389 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.395 -10.925 1.157 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.380 -8.939 2.023 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.060 -7.953 1.671 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.244 -9.585 2.356 1.00 0.00 H new ATOM 726 N TRP A 53 -3.193 -7.465 0.031 1.00 0.00 N ATOM 727 CA TRP A 53 -3.649 -6.136 -0.358 1.00 0.00 C ATOM 728 C TRP A 53 -3.183 -5.087 0.646 1.00 0.00 C ATOM 729 O TRP A 53 -3.237 -5.304 1.857 1.00 0.00 O ATOM 730 CB TRP A 53 -5.174 -6.110 -0.471 1.00 0.00 C ATOM 731 CG TRP A 53 -5.701 -6.958 -1.586 1.00 0.00 C ATOM 732 CD1 TRP A 53 -6.207 -8.223 -1.486 1.00 0.00 C ATOM 733 CD2 TRP A 53 -5.774 -6.605 -2.972 1.00 0.00 C ATOM 734 NE1 TRP A 53 -6.591 -8.677 -2.724 1.00 0.00 N ATOM 735 CE2 TRP A 53 -6.335 -7.703 -3.654 1.00 0.00 C ATOM 736 CE3 TRP A 53 -5.421 -5.468 -3.704 1.00 0.00 C ATOM 737 CZ2 TRP A 53 -6.550 -7.695 -5.030 1.00 0.00 C ATOM 738 CZ3 TRP A 53 -5.634 -5.461 -5.070 1.00 0.00 C ATOM 739 CH2 TRP A 53 -6.195 -6.568 -5.719 1.00 0.00 C ATOM 0 H TRP A 53 -3.410 -7.720 0.995 1.00 0.00 H new ATOM 0 HA TRP A 53 -3.216 -5.900 -1.330 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.607 -6.450 0.470 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.503 -5.081 -0.620 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.293 -8.784 -0.567 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -7.000 -9.591 -2.920 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.989 -4.610 -3.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -6.981 -8.547 -5.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.364 -4.588 -5.646 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -6.351 -6.531 -6.787 1.00 0.00 H new ATOM 750 N VAL A 54 -2.725 -3.948 0.135 1.00 0.00 N ATOM 751 CA VAL A 54 -2.249 -2.864 0.987 1.00 0.00 C ATOM 752 C VAL A 54 -3.064 -1.594 0.770 1.00 0.00 C ATOM 753 O VAL A 54 -3.049 -1.014 -0.316 1.00 0.00 O ATOM 754 CB VAL A 54 -0.762 -2.556 0.728 1.00 0.00 C ATOM 755 CG1 VAL A 54 -0.231 -1.581 1.767 1.00 0.00 C ATOM 756 CG2 VAL A 54 0.057 -3.838 0.719 1.00 0.00 C ATOM 0 H VAL A 54 -2.674 -3.752 -0.865 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.369 -3.198 2.018 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.672 -2.090 -0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.821 -1.375 1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.799 -0.652 1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.334 -2.017 2.761 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.104 -3.599 0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.037 -4.337 1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.309 -4.498 -0.068 1.00 0.00 H new ATOM 766 N GLY A 55 -3.775 -1.167 1.808 1.00 0.00 N ATOM 767 CA GLY A 55 -4.586 0.032 1.709 1.00 0.00 C ATOM 768 C GLY A 55 -3.777 1.297 1.913 1.00 0.00 C ATOM 769 O GLY A 55 -3.116 1.462 2.938 1.00 0.00 O ATOM 0 H GLY A 55 -3.804 -1.630 2.716 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.064 0.064 0.730 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.383 -0.010 2.451 1.00 0.00 H new ATOM 773 N VAL A 56 -3.829 2.195 0.934 1.00 0.00 N ATOM 774 CA VAL A 56 -3.094 3.453 1.011 1.00 0.00 C ATOM 775 C VAL A 56 -4.046 4.637 1.142 1.00 0.00 C ATOM 776 O VAL A 56 -4.907 4.852 0.288 1.00 0.00 O ATOM 777 CB VAL A 56 -2.202 3.662 -0.227 1.00 0.00 C ATOM 778 CG1 VAL A 56 -1.311 4.882 -0.046 1.00 0.00 C ATOM 779 CG2 VAL A 56 -1.368 2.419 -0.506 1.00 0.00 C ATOM 0 H VAL A 56 -4.372 2.075 0.079 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.463 3.396 1.898 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.847 3.837 -1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.689 5.013 -0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.931 5.767 0.096 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.674 4.741 0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.745 2.588 -1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.733 2.207 0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.028 1.571 -0.687 1.00 0.00 H new ATOM 789 N GLU A 57 -3.887 5.401 2.217 1.00 0.00 N ATOM 790 CA GLU A 57 -4.733 6.564 2.460 1.00 0.00 C ATOM 791 C GLU A 57 -4.180 7.797 1.752 1.00 0.00 C ATOM 792 O GLU A 57 -3.177 8.371 2.177 1.00 0.00 O ATOM 793 CB GLU A 57 -4.847 6.833 3.962 1.00 0.00 C ATOM 794 CG GLU A 57 -5.763 7.998 4.304 1.00 0.00 C ATOM 795 CD GLU A 57 -7.111 7.543 4.830 1.00 0.00 C ATOM 796 OE1 GLU A 57 -7.728 6.660 4.199 1.00 0.00 O ATOM 797 OE2 GLU A 57 -7.549 8.073 5.873 1.00 0.00 O ATOM 0 H GLU A 57 -3.180 5.236 2.934 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.724 6.351 2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.216 5.934 4.457 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.853 7.033 4.363 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.280 8.629 5.050 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.912 8.612 3.416 1.00 0.00 H new ATOM 804 N LEU A 58 -4.839 8.198 0.670 1.00 0.00 N ATOM 805 CA LEU A 58 -4.412 9.362 -0.097 1.00 0.00 C ATOM 806 C LEU A 58 -5.002 10.644 0.484 1.00 0.00 C ATOM 807 O LEU A 58 -6.164 10.674 0.890 1.00 0.00 O ATOM 808 CB LEU A 58 -4.828 9.215 -1.562 1.00 0.00 C ATOM 809 CG LEU A 58 -4.538 7.847 -2.183 1.00 0.00 C ATOM 810 CD1 LEU A 58 -5.292 7.686 -3.493 1.00 0.00 C ATOM 811 CD2 LEU A 58 -3.043 7.668 -2.400 1.00 0.00 C ATOM 0 H LEU A 58 -5.671 7.734 0.305 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.325 9.424 -0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.897 9.414 -1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.316 9.979 -2.148 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.880 7.075 -1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.074 6.707 -3.920 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.363 7.771 -3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.981 8.464 -4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.854 6.690 -2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.677 8.446 -3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.525 7.740 -1.443 1.00 0.00 H new ATOM 823 N ASP A 59 -4.195 11.698 0.520 1.00 0.00 N ATOM 824 CA ASP A 59 -4.637 12.982 1.052 1.00 0.00 C ATOM 825 C ASP A 59 -5.570 13.684 0.071 1.00 0.00 C ATOM 826 O ASP A 59 -6.475 14.414 0.475 1.00 0.00 O ATOM 827 CB ASP A 59 -3.431 13.873 1.356 1.00 0.00 C ATOM 828 CG ASP A 59 -2.944 13.720 2.782 1.00 0.00 C ATOM 829 OD1 ASP A 59 -3.711 14.052 3.711 1.00 0.00 O ATOM 830 OD2 ASP A 59 -1.795 13.267 2.973 1.00 0.00 O ATOM 0 H ASP A 59 -3.231 11.689 0.187 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.185 12.797 1.976 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.620 13.628 0.670 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.698 14.914 1.176 1.00 0.00 H new ATOM 835 N LEU A 60 -5.342 13.460 -1.219 1.00 0.00 N ATOM 836 CA LEU A 60 -6.164 14.072 -2.257 1.00 0.00 C ATOM 837 C LEU A 60 -7.110 13.048 -2.878 1.00 0.00 C ATOM 838 O LEU A 60 -6.795 11.859 -2.944 1.00 0.00 O ATOM 839 CB LEU A 60 -5.276 14.687 -3.341 1.00 0.00 C ATOM 840 CG LEU A 60 -4.483 15.920 -2.906 1.00 0.00 C ATOM 841 CD1 LEU A 60 -3.223 16.066 -3.744 1.00 0.00 C ATOM 842 CD2 LEU A 60 -5.344 17.171 -3.013 1.00 0.00 C ATOM 0 H LEU A 60 -4.596 12.860 -1.570 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.762 14.858 -1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.576 13.928 -3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.902 14.958 -4.191 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.189 15.792 -1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.671 16.949 -3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.598 15.182 -3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.495 16.173 -4.794 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.765 18.039 -2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.667 17.303 -4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.218 17.067 -2.370 1.00 0.00 H new ATOM 854 N PRO A 61 -8.290 13.497 -3.342 1.00 0.00 N ATOM 855 CA PRO A 61 -9.284 12.613 -3.959 1.00 0.00 C ATOM 856 C PRO A 61 -8.837 12.104 -5.326 1.00 0.00 C ATOM 857 O PRO A 61 -8.950 12.810 -6.328 1.00 0.00 O ATOM 858 CB PRO A 61 -10.518 13.506 -4.097 1.00 0.00 C ATOM 859 CG PRO A 61 -9.975 14.891 -4.167 1.00 0.00 C ATOM 860 CD PRO A 61 -8.745 14.899 -3.301 1.00 0.00 C ATOM 0 HA PRO A 61 -9.457 11.716 -3.364 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.088 13.258 -4.992 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.191 13.387 -3.248 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.731 15.163 -5.194 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.707 15.616 -3.811 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.986 15.579 -3.687 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.972 15.218 -2.284 1.00 0.00 H new ATOM 868 N SER A 62 -8.330 10.876 -5.359 1.00 0.00 N ATOM 869 CA SER A 62 -7.866 10.274 -6.603 1.00 0.00 C ATOM 870 C SER A 62 -7.870 8.752 -6.504 1.00 0.00 C ATOM 871 O SER A 62 -6.983 8.083 -7.035 1.00 0.00 O ATOM 872 CB SER A 62 -6.460 10.772 -6.943 1.00 0.00 C ATOM 873 OG SER A 62 -6.513 11.963 -7.709 1.00 0.00 O ATOM 0 H SER A 62 -8.230 10.279 -4.538 1.00 0.00 H new ATOM 0 HA SER A 62 -8.550 10.571 -7.398 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.902 10.951 -6.024 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.922 10.003 -7.497 1.00 0.00 H new ATOM 0 HG SER A 62 -7.286 12.497 -7.430 1.00 0.00 H new ATOM 879 N GLY A 63 -8.874 8.211 -5.822 1.00 0.00 N ATOM 880 CA GLY A 63 -8.974 6.771 -5.666 1.00 0.00 C ATOM 881 C GLY A 63 -10.241 6.209 -6.281 1.00 0.00 C ATOM 882 O GLY A 63 -10.708 6.695 -7.310 1.00 0.00 O ATOM 0 H GLY A 63 -9.620 8.743 -5.375 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.108 6.297 -6.128 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.946 6.520 -4.606 1.00 0.00 H new ATOM 886 N LYS A 64 -10.797 5.180 -5.648 1.00 0.00 N ATOM 887 CA LYS A 64 -12.017 4.551 -6.139 1.00 0.00 C ATOM 888 C LYS A 64 -12.924 4.146 -4.982 1.00 0.00 C ATOM 889 O LYS A 64 -13.976 4.748 -4.765 1.00 0.00 O ATOM 890 CB LYS A 64 -11.676 3.325 -6.990 1.00 0.00 C ATOM 891 CG LYS A 64 -11.688 3.600 -8.486 1.00 0.00 C ATOM 892 CD LYS A 64 -12.800 2.834 -9.187 1.00 0.00 C ATOM 893 CE LYS A 64 -12.370 2.372 -10.570 1.00 0.00 C ATOM 894 NZ LYS A 64 -13.318 1.375 -11.141 1.00 0.00 N ATOM 0 H LYS A 64 -10.422 4.765 -4.795 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.548 5.276 -6.755 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.690 2.958 -6.704 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.389 2.530 -6.769 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.816 4.668 -8.659 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.726 3.321 -8.916 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.084 1.971 -8.585 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.683 3.468 -9.272 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.303 3.232 -11.236 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.373 1.934 -10.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.990 1.085 -12.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.363 0.543 -10.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.264 1.800 -11.219 1.00 0.00 H new ATOM 908 N ASN A 65 -12.510 3.122 -4.242 1.00 0.00 N ATOM 909 CA ASN A 65 -13.286 2.638 -3.105 1.00 0.00 C ATOM 910 C ASN A 65 -13.359 3.694 -2.007 1.00 0.00 C ATOM 911 O ASN A 65 -12.352 4.313 -1.660 1.00 0.00 O ATOM 912 CB ASN A 65 -12.670 1.351 -2.551 1.00 0.00 C ATOM 913 CG ASN A 65 -12.318 0.360 -3.644 1.00 0.00 C ATOM 914 OD1 ASN A 65 -13.188 -0.329 -4.177 1.00 0.00 O ATOM 915 ND2 ASN A 65 -11.037 0.285 -3.982 1.00 0.00 N ATOM 0 H ASN A 65 -11.643 2.612 -4.409 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.298 2.429 -3.451 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.772 1.596 -1.984 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -13.369 0.887 -1.855 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.739 -0.363 -4.711 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.350 0.876 -3.513 1.00 0.00 H new ATOM 922 N ASP A 66 -14.555 3.894 -1.465 1.00 0.00 N ATOM 923 CA ASP A 66 -14.760 4.876 -0.406 1.00 0.00 C ATOM 924 C ASP A 66 -14.662 4.223 0.970 1.00 0.00 C ATOM 925 O ASP A 66 -15.484 4.479 1.851 1.00 0.00 O ATOM 926 CB ASP A 66 -16.121 5.554 -0.568 1.00 0.00 C ATOM 927 CG ASP A 66 -16.353 6.055 -1.980 1.00 0.00 C ATOM 928 OD1 ASP A 66 -15.408 6.617 -2.573 1.00 0.00 O ATOM 929 OD2 ASP A 66 -17.479 5.886 -2.493 1.00 0.00 O ATOM 0 H ASP A 66 -15.397 3.389 -1.741 1.00 0.00 H new ATOM 0 HA ASP A 66 -13.976 5.629 -0.486 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.909 4.849 -0.301 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.192 6.390 0.128 1.00 0.00 H new ATOM 934 N GLY A 67 -13.652 3.378 1.149 1.00 0.00 N ATOM 935 CA GLY A 67 -13.465 2.703 2.419 1.00 0.00 C ATOM 936 C GLY A 67 -14.071 1.313 2.432 1.00 0.00 C ATOM 937 O GLY A 67 -13.602 0.432 3.152 1.00 0.00 O ATOM 0 H GLY A 67 -12.959 3.149 0.436 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -12.399 2.633 2.636 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.914 3.299 3.213 1.00 0.00 H new ATOM 941 N SER A 68 -15.115 1.117 1.634 1.00 0.00 N ATOM 942 CA SER A 68 -15.785 -0.177 1.557 1.00 0.00 C ATOM 943 C SER A 68 -15.745 -0.728 0.136 1.00 0.00 C ATOM 944 O SER A 68 -15.670 0.028 -0.834 1.00 0.00 O ATOM 945 CB SER A 68 -17.236 -0.051 2.025 1.00 0.00 C ATOM 946 OG SER A 68 -17.978 0.801 1.169 1.00 0.00 O ATOM 0 H SER A 68 -15.516 1.836 1.032 1.00 0.00 H new ATOM 0 HA SER A 68 -15.257 -0.870 2.211 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.699 -1.037 2.052 1.00 0.00 H new ATOM 0 HB3 SER A 68 -17.260 0.340 3.042 1.00 0.00 H new ATOM 0 HG SER A 68 -18.902 0.863 1.490 1.00 0.00 H new ATOM 952 N ILE A 69 -15.793 -2.051 0.020 1.00 0.00 N ATOM 953 CA ILE A 69 -15.763 -2.706 -1.282 1.00 0.00 C ATOM 954 C ILE A 69 -16.648 -3.947 -1.294 1.00 0.00 C ATOM 955 O ILE A 69 -16.360 -4.932 -0.614 1.00 0.00 O ATOM 956 CB ILE A 69 -14.329 -3.110 -1.676 1.00 0.00 C ATOM 957 CG1 ILE A 69 -13.364 -1.945 -1.449 1.00 0.00 C ATOM 958 CG2 ILE A 69 -14.286 -3.567 -3.126 1.00 0.00 C ATOM 959 CD1 ILE A 69 -11.913 -2.309 -1.672 1.00 0.00 C ATOM 0 H ILE A 69 -15.853 -2.691 0.812 1.00 0.00 H new ATOM 0 HA ILE A 69 -16.142 -1.985 -2.006 1.00 0.00 H new ATOM 0 HB ILE A 69 -14.017 -3.942 -1.044 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -13.632 -1.127 -2.118 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -13.485 -1.577 -0.430 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.266 -3.849 -3.389 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -14.945 -4.425 -3.257 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -14.616 -2.755 -3.773 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -11.287 -1.435 -1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -11.628 -3.106 -0.985 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -11.777 -2.649 -2.699 1.00 0.00 H new ATOM 971 N GLY A 70 -17.726 -3.892 -2.068 1.00 0.00 N ATOM 972 CA GLY A 70 -18.637 -5.018 -2.152 1.00 0.00 C ATOM 973 C GLY A 70 -19.432 -5.218 -0.877 1.00 0.00 C ATOM 974 O GLY A 70 -20.654 -5.064 -0.869 1.00 0.00 O ATOM 0 H GLY A 70 -17.985 -3.088 -2.639 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -19.324 -4.864 -2.984 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.071 -5.924 -2.369 1.00 0.00 H new ATOM 978 N GLY A 71 -18.738 -5.558 0.204 1.00 0.00 N ATOM 979 CA GLY A 71 -19.403 -5.773 1.476 1.00 0.00 C ATOM 980 C GLY A 71 -18.426 -5.937 2.623 1.00 0.00 C ATOM 981 O GLY A 71 -18.659 -6.729 3.537 1.00 0.00 O ATOM 0 H GLY A 71 -17.727 -5.689 0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -20.063 -4.931 1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -20.031 -6.661 1.408 1.00 0.00 H new ATOM 985 N LYS A 72 -17.329 -5.187 2.576 1.00 0.00 N ATOM 986 CA LYS A 72 -16.313 -5.254 3.620 1.00 0.00 C ATOM 987 C LYS A 72 -15.552 -3.937 3.723 1.00 0.00 C ATOM 988 O LYS A 72 -15.113 -3.382 2.715 1.00 0.00 O ATOM 989 CB LYS A 72 -15.338 -6.400 3.340 1.00 0.00 C ATOM 990 CG LYS A 72 -14.562 -6.852 4.568 1.00 0.00 C ATOM 991 CD LYS A 72 -14.988 -8.240 5.020 1.00 0.00 C ATOM 992 CE LYS A 72 -14.131 -8.737 6.173 1.00 0.00 C ATOM 993 NZ LYS A 72 -14.451 -10.145 6.536 1.00 0.00 N ATOM 0 H LYS A 72 -17.121 -4.527 1.827 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.815 -5.438 4.570 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.893 -7.248 2.938 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.633 -6.087 2.570 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.495 -6.853 4.345 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.717 -6.141 5.379 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.034 -8.219 5.325 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.914 -8.935 4.184 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.078 -8.663 5.901 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.282 -8.095 7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.845 -10.446 7.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -15.449 -10.212 6.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.282 -10.762 5.716 1.00 0.00 H new ATOM 1007 N GLN A 73 -15.397 -3.443 4.946 1.00 0.00 N ATOM 1008 CA GLN A 73 -14.689 -2.189 5.181 1.00 0.00 C ATOM 1009 C GLN A 73 -13.255 -2.452 5.633 1.00 0.00 C ATOM 1010 O GLN A 73 -12.981 -3.436 6.322 1.00 0.00 O ATOM 1011 CB GLN A 73 -15.426 -1.352 6.230 1.00 0.00 C ATOM 1012 CG GLN A 73 -15.923 -0.017 5.702 1.00 0.00 C ATOM 1013 CD GLN A 73 -15.039 1.142 6.122 1.00 0.00 C ATOM 1014 OE1 GLN A 73 -13.812 1.047 6.087 1.00 0.00 O ATOM 1015 NE2 GLN A 73 -15.661 2.244 6.525 1.00 0.00 N ATOM 0 H GLN A 73 -15.752 -3.891 5.791 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.658 -1.634 4.243 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -16.274 -1.923 6.608 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -14.760 -1.174 7.074 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -15.972 -0.056 4.614 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -16.938 0.156 6.060 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -16.680 2.279 6.538 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.119 3.056 6.822 1.00 0.00 H new ATOM 1024 N TYR A 74 -12.344 -1.567 5.241 1.00 0.00 N ATOM 1025 CA TYR A 74 -10.939 -1.703 5.606 1.00 0.00 C ATOM 1026 C TYR A 74 -10.499 -0.560 6.515 1.00 0.00 C ATOM 1027 O TYR A 74 -10.000 -0.787 7.617 1.00 0.00 O ATOM 1028 CB TYR A 74 -10.066 -1.736 4.350 1.00 0.00 C ATOM 1029 CG TYR A 74 -10.229 -2.997 3.533 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -11.463 -3.347 2.998 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -9.149 -3.839 3.295 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -11.616 -4.499 2.250 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -9.294 -4.992 2.548 1.00 0.00 C ATOM 1034 CZ TYR A 74 -10.529 -5.318 2.028 1.00 0.00 C ATOM 1035 OH TYR A 74 -10.678 -6.466 1.283 1.00 0.00 O ATOM 0 H TYR A 74 -12.554 -0.748 4.670 1.00 0.00 H new ATOM 0 HA TYR A 74 -10.820 -2.641 6.149 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.308 -0.875 3.727 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.021 -1.634 4.641 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -12.317 -2.708 3.170 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.180 -3.588 3.701 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -12.582 -4.757 1.841 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.444 -5.635 2.372 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.817 -6.929 1.220 1.00 0.00 H new ATOM 1045 N PHE A 75 -10.689 0.669 6.046 1.00 0.00 N ATOM 1046 CA PHE A 75 -10.313 1.849 6.816 1.00 0.00 C ATOM 1047 C PHE A 75 -11.213 3.032 6.476 1.00 0.00 C ATOM 1048 O PHE A 75 -11.407 3.361 5.305 1.00 0.00 O ATOM 1049 CB PHE A 75 -8.851 2.213 6.551 1.00 0.00 C ATOM 1050 CG PHE A 75 -8.526 2.368 5.093 1.00 0.00 C ATOM 1051 CD1 PHE A 75 -8.706 3.585 4.456 1.00 0.00 C ATOM 1052 CD2 PHE A 75 -8.041 1.297 4.360 1.00 0.00 C ATOM 1053 CE1 PHE A 75 -8.408 3.732 3.114 1.00 0.00 C ATOM 1054 CE2 PHE A 75 -7.742 1.437 3.018 1.00 0.00 C ATOM 1055 CZ PHE A 75 -7.925 2.656 2.395 1.00 0.00 C ATOM 0 H PHE A 75 -11.101 0.874 5.136 1.00 0.00 H new ATOM 0 HA PHE A 75 -10.436 1.615 7.873 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.617 3.144 7.068 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.210 1.442 6.978 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.084 4.429 5.014 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -7.895 0.342 4.843 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.553 4.686 2.629 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.366 0.594 2.457 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.691 2.768 1.347 1.00 0.00 H new ATOM 1065 N ARG A 76 -11.761 3.667 7.506 1.00 0.00 N ATOM 1066 CA ARG A 76 -12.642 4.814 7.317 1.00 0.00 C ATOM 1067 C ARG A 76 -11.898 5.969 6.655 1.00 0.00 C ATOM 1068 O ARG A 76 -10.786 6.315 7.055 1.00 0.00 O ATOM 1069 CB ARG A 76 -13.219 5.267 8.660 1.00 0.00 C ATOM 1070 CG ARG A 76 -12.160 5.547 9.714 1.00 0.00 C ATOM 1071 CD ARG A 76 -12.678 6.489 10.788 1.00 0.00 C ATOM 1072 NE ARG A 76 -11.666 6.771 11.803 1.00 0.00 N ATOM 1073 CZ ARG A 76 -11.362 5.940 12.798 1.00 0.00 C ATOM 1074 NH1 ARG A 76 -11.990 4.777 12.914 1.00 0.00 N ATOM 1075 NH2 ARG A 76 -10.428 6.274 13.678 1.00 0.00 N ATOM 0 H ARG A 76 -11.611 3.407 8.481 1.00 0.00 H new ATOM 0 HA ARG A 76 -13.458 4.509 6.662 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -13.813 6.168 8.505 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -13.896 4.499 9.033 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.845 4.610 10.172 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -11.280 5.982 9.240 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.999 7.423 10.327 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.555 6.050 11.263 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.163 7.656 11.746 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -12.709 4.516 12.239 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.754 4.144 13.678 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.943 7.167 13.593 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.195 5.638 14.440 1.00 0.00 H new ATOM 1089 N CYS A 77 -12.519 6.562 5.640 1.00 0.00 N ATOM 1090 CA CYS A 77 -11.915 7.679 4.923 1.00 0.00 C ATOM 1091 C CYS A 77 -12.950 8.395 4.061 1.00 0.00 C ATOM 1092 O CYS A 77 -14.129 8.044 4.069 1.00 0.00 O ATOM 1093 CB CYS A 77 -10.759 7.186 4.050 1.00 0.00 C ATOM 1094 SG CYS A 77 -11.202 5.837 2.931 1.00 0.00 S ATOM 0 H CYS A 77 -13.439 6.288 5.296 1.00 0.00 H new ATOM 0 HA CYS A 77 -11.530 8.386 5.658 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.380 8.022 3.462 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -9.945 6.856 4.696 1.00 0.00 H new ATOM 0 HG CYS A 77 -10.331 4.878 3.041 1.00 0.00 H new ATOM 1100 N ASN A 78 -12.500 9.401 3.317 1.00 0.00 N ATOM 1101 CA ASN A 78 -13.387 10.167 2.450 1.00 0.00 C ATOM 1102 C ASN A 78 -13.574 9.467 1.106 1.00 0.00 C ATOM 1103 O ASN A 78 -12.654 8.826 0.598 1.00 0.00 O ATOM 1104 CB ASN A 78 -12.829 11.574 2.231 1.00 0.00 C ATOM 1105 CG ASN A 78 -12.690 12.350 3.527 1.00 0.00 C ATOM 1106 OD1 ASN A 78 -11.832 12.047 4.356 1.00 0.00 O ATOM 1107 ND2 ASN A 78 -13.537 13.357 3.708 1.00 0.00 N ATOM 0 H ASN A 78 -11.526 9.704 3.298 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.358 10.240 2.939 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -11.855 11.504 1.746 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.484 12.120 1.552 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -13.492 13.914 4.561 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -14.233 13.573 2.994 1.00 0.00 H new ATOM 1114 N PRO A 79 -14.774 9.577 0.508 1.00 0.00 N ATOM 1115 CA PRO A 79 -15.073 8.948 -0.783 1.00 0.00 C ATOM 1116 C PRO A 79 -14.094 9.370 -1.874 1.00 0.00 C ATOM 1117 O PRO A 79 -13.878 10.561 -2.100 1.00 0.00 O ATOM 1118 CB PRO A 79 -16.483 9.448 -1.113 1.00 0.00 C ATOM 1119 CG PRO A 79 -17.074 9.824 0.201 1.00 0.00 C ATOM 1120 CD PRO A 79 -15.931 10.320 1.041 1.00 0.00 C ATOM 0 HA PRO A 79 -14.994 7.862 -0.730 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -16.451 10.301 -1.790 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -17.072 8.673 -1.604 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -17.834 10.596 0.081 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -17.560 8.968 0.670 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.797 11.397 0.943 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.090 10.113 2.099 1.00 0.00 H new ATOM 1128 N GLY A 80 -13.509 8.387 -2.550 1.00 0.00 N ATOM 1129 CA GLY A 80 -12.562 8.677 -3.610 1.00 0.00 C ATOM 1130 C GLY A 80 -11.175 8.991 -3.086 1.00 0.00 C ATOM 1131 O GLY A 80 -10.433 9.761 -3.695 1.00 0.00 O ATOM 0 H GLY A 80 -13.674 7.394 -2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.506 7.823 -4.285 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.925 9.522 -4.195 1.00 0.00 H new ATOM 1135 N TYR A 81 -10.823 8.391 -1.953 1.00 0.00 N ATOM 1136 CA TYR A 81 -9.514 8.611 -1.348 1.00 0.00 C ATOM 1137 C TYR A 81 -8.830 7.283 -1.035 1.00 0.00 C ATOM 1138 O TYR A 81 -7.645 7.102 -1.318 1.00 0.00 O ATOM 1139 CB TYR A 81 -9.651 9.441 -0.071 1.00 0.00 C ATOM 1140 CG TYR A 81 -10.001 10.890 -0.324 1.00 0.00 C ATOM 1141 CD1 TYR A 81 -11.291 11.261 -0.679 1.00 0.00 C ATOM 1142 CD2 TYR A 81 -9.040 11.886 -0.209 1.00 0.00 C ATOM 1143 CE1 TYR A 81 -11.614 12.584 -0.912 1.00 0.00 C ATOM 1144 CE2 TYR A 81 -9.355 13.212 -0.439 1.00 0.00 C ATOM 1145 CZ TYR A 81 -10.644 13.555 -0.790 1.00 0.00 C ATOM 1146 OH TYR A 81 -10.961 14.874 -1.022 1.00 0.00 O ATOM 0 H TYR A 81 -11.425 7.750 -1.436 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.898 9.157 -2.063 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.419 8.996 0.561 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.715 9.394 0.485 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -12.054 10.503 -0.775 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -8.030 11.620 0.065 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.622 12.856 -1.188 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -8.596 13.975 -0.344 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.389 15.449 -0.473 1.00 0.00 H new ATOM 1156 N GLY A 82 -9.583 6.359 -0.449 1.00 0.00 N ATOM 1157 CA GLY A 82 -9.033 5.060 -0.108 1.00 0.00 C ATOM 1158 C GLY A 82 -8.751 4.211 -1.332 1.00 0.00 C ATOM 1159 O GLY A 82 -9.555 4.168 -2.264 1.00 0.00 O ATOM 0 H GLY A 82 -10.565 6.486 -0.204 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.111 5.196 0.456 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.730 4.533 0.543 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.608 3.534 -1.330 1.00 0.00 N ATOM 1164 CA LEU A 83 -7.223 2.682 -2.448 1.00 0.00 C ATOM 1165 C LEU A 83 -6.363 1.516 -1.972 1.00 0.00 C ATOM 1166 O LEU A 83 -5.394 1.705 -1.237 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.464 3.495 -3.500 1.00 0.00 C ATOM 1168 CG LEU A 83 -6.167 2.750 -4.802 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -7.454 2.240 -5.430 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -5.420 3.655 -5.772 1.00 0.00 C ATOM 0 H LEU A 83 -6.932 3.559 -0.566 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.132 2.281 -2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.043 4.388 -3.734 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.521 3.830 -3.068 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.534 1.892 -4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.223 1.713 -6.356 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.951 1.559 -4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.112 3.082 -5.647 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -5.216 3.110 -6.694 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.029 4.531 -5.995 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.479 3.973 -5.322 1.00 0.00 H new ATOM 1182 N LEU A 84 -6.724 0.309 -2.398 1.00 0.00 N ATOM 1183 CA LEU A 84 -5.987 -0.890 -2.016 1.00 0.00 C ATOM 1184 C LEU A 84 -5.249 -1.479 -3.213 1.00 0.00 C ATOM 1185 O LEU A 84 -5.805 -1.585 -4.307 1.00 0.00 O ATOM 1186 CB LEU A 84 -6.939 -1.931 -1.424 1.00 0.00 C ATOM 1187 CG LEU A 84 -7.275 -1.735 0.056 1.00 0.00 C ATOM 1188 CD1 LEU A 84 -8.760 -1.958 0.302 1.00 0.00 C ATOM 1189 CD2 LEU A 84 -6.445 -2.672 0.921 1.00 0.00 C ATOM 0 H LEU A 84 -7.523 0.136 -3.008 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.252 -0.610 -1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.867 -1.919 -1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.498 -2.919 -1.553 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.032 -0.708 0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.979 -1.814 1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.337 -1.246 -0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.029 -2.973 0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.698 -2.518 1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.656 -3.705 0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.386 -2.465 0.769 1.00 0.00 H new ATOM 1201 N VAL A 85 -3.995 -1.863 -3.000 1.00 0.00 N ATOM 1202 CA VAL A 85 -3.180 -2.441 -4.061 1.00 0.00 C ATOM 1203 C VAL A 85 -2.246 -3.516 -3.515 1.00 0.00 C ATOM 1204 O VAL A 85 -1.925 -3.527 -2.326 1.00 0.00 O ATOM 1205 CB VAL A 85 -2.342 -1.366 -4.776 1.00 0.00 C ATOM 1206 CG1 VAL A 85 -3.229 -0.483 -5.642 1.00 0.00 C ATOM 1207 CG2 VAL A 85 -1.572 -0.530 -3.764 1.00 0.00 C ATOM 0 H VAL A 85 -3.521 -1.784 -2.100 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.868 -2.890 -4.777 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.623 -1.865 -5.425 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.618 0.271 -6.139 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.731 -1.095 -6.391 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.974 0.009 -5.017 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.985 0.225 -4.287 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.273 -0.040 -3.088 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.906 -1.175 -3.191 1.00 0.00 H new ATOM 1217 N ARG A 86 -1.814 -4.417 -4.390 1.00 0.00 N ATOM 1218 CA ARG A 86 -0.916 -5.496 -3.996 1.00 0.00 C ATOM 1219 C ARG A 86 0.426 -4.942 -3.522 1.00 0.00 C ATOM 1220 O ARG A 86 0.835 -3.855 -3.929 1.00 0.00 O ATOM 1221 CB ARG A 86 -0.699 -6.460 -5.164 1.00 0.00 C ATOM 1222 CG ARG A 86 -1.977 -7.125 -5.649 1.00 0.00 C ATOM 1223 CD ARG A 86 -2.025 -8.596 -5.266 1.00 0.00 C ATOM 1224 NE ARG A 86 -1.753 -9.468 -6.405 1.00 0.00 N ATOM 1225 CZ ARG A 86 -1.389 -10.744 -6.293 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -1.250 -11.298 -5.095 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -1.163 -11.466 -7.381 1.00 0.00 N ATOM 0 H ARG A 86 -2.071 -4.422 -5.377 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.378 -6.036 -3.170 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.245 -5.917 -5.993 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.010 -7.231 -4.861 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.839 -6.610 -5.225 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.049 -7.028 -6.732 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.296 -8.790 -4.479 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.007 -8.832 -4.856 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.847 -9.077 -7.342 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.422 -10.746 -4.255 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.971 -12.276 -5.015 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.268 -11.044 -8.304 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.884 -12.443 -7.296 1.00 0.00 H new ATOM 1241 N PRO A 87 1.131 -5.685 -2.653 1.00 0.00 N ATOM 1242 CA PRO A 87 2.432 -5.262 -2.125 1.00 0.00 C ATOM 1243 C PRO A 87 3.408 -4.887 -3.233 1.00 0.00 C ATOM 1244 O PRO A 87 4.245 -3.999 -3.064 1.00 0.00 O ATOM 1245 CB PRO A 87 2.930 -6.495 -1.369 1.00 0.00 C ATOM 1246 CG PRO A 87 1.694 -7.240 -1.000 1.00 0.00 C ATOM 1247 CD PRO A 87 0.716 -6.996 -2.116 1.00 0.00 C ATOM 0 HA PRO A 87 2.349 -4.371 -1.502 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.587 -7.102 -1.992 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.501 -6.213 -0.484 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.899 -8.304 -0.886 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.296 -6.889 -0.048 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.769 -7.776 -2.875 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -0.311 -6.975 -1.753 1.00 0.00 H new ATOM 1255 N SER A 88 3.294 -5.567 -4.367 1.00 0.00 N ATOM 1256 CA SER A 88 4.164 -5.308 -5.507 1.00 0.00 C ATOM 1257 C SER A 88 3.952 -3.895 -6.047 1.00 0.00 C ATOM 1258 O SER A 88 4.845 -3.317 -6.665 1.00 0.00 O ATOM 1259 CB SER A 88 3.909 -6.333 -6.614 1.00 0.00 C ATOM 1260 OG SER A 88 5.126 -6.787 -7.179 1.00 0.00 O ATOM 0 H SER A 88 2.606 -6.304 -4.522 1.00 0.00 H new ATOM 0 HA SER A 88 5.197 -5.397 -5.170 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.354 -7.180 -6.209 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.288 -5.887 -7.391 1.00 0.00 H new ATOM 0 HG SER A 88 4.936 -7.442 -7.882 1.00 0.00 H new ATOM 1266 N ARG A 89 2.764 -3.346 -5.810 1.00 0.00 N ATOM 1267 CA ARG A 89 2.439 -2.002 -6.274 1.00 0.00 C ATOM 1268 C ARG A 89 2.667 -0.969 -5.173 1.00 0.00 C ATOM 1269 O ARG A 89 2.068 0.107 -5.186 1.00 0.00 O ATOM 1270 CB ARG A 89 0.986 -1.943 -6.749 1.00 0.00 C ATOM 1271 CG ARG A 89 0.785 -2.482 -8.156 1.00 0.00 C ATOM 1272 CD ARG A 89 0.675 -1.358 -9.173 1.00 0.00 C ATOM 1273 NE ARG A 89 -0.215 -1.705 -10.279 1.00 0.00 N ATOM 1274 CZ ARG A 89 -0.764 -0.810 -11.097 1.00 0.00 C ATOM 1275 NH1 ARG A 89 -0.516 0.484 -10.939 1.00 0.00 N ATOM 1276 NH2 ARG A 89 -1.562 -1.211 -12.077 1.00 0.00 N ATOM 0 H ARG A 89 2.012 -3.810 -5.300 1.00 0.00 H new ATOM 0 HA ARG A 89 3.100 -1.766 -7.108 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.363 -2.511 -6.058 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.642 -0.909 -6.712 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.619 -3.133 -8.420 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.118 -3.092 -8.187 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.307 -0.458 -8.680 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.665 -1.125 -9.564 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.428 -2.691 -10.433 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.098 0.798 -10.188 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.940 1.165 -11.569 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.755 -2.205 -12.204 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.983 -0.526 -12.704 1.00 0.00 H new ATOM 1290 N VAL A 90 3.536 -1.299 -4.221 1.00 0.00 N ATOM 1291 CA VAL A 90 3.839 -0.396 -3.118 1.00 0.00 C ATOM 1292 C VAL A 90 5.345 -0.208 -2.962 1.00 0.00 C ATOM 1293 O VAL A 90 6.056 -1.127 -2.555 1.00 0.00 O ATOM 1294 CB VAL A 90 3.259 -0.912 -1.787 1.00 0.00 C ATOM 1295 CG1 VAL A 90 3.436 0.124 -0.687 1.00 0.00 C ATOM 1296 CG2 VAL A 90 1.791 -1.280 -1.947 1.00 0.00 C ATOM 0 H VAL A 90 4.041 -2.184 -4.193 1.00 0.00 H new ATOM 0 HA VAL A 90 3.375 0.561 -3.359 1.00 0.00 H new ATOM 0 HB VAL A 90 3.807 -1.810 -1.502 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.020 -0.260 0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.497 0.333 -0.552 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.918 1.042 -0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.401 -1.642 -0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.227 -0.401 -2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.692 -2.061 -2.701 1.00 0.00 H new ATOM 1306 N ARG A 91 5.825 0.986 -3.290 1.00 0.00 N ATOM 1307 CA ARG A 91 7.247 1.294 -3.188 1.00 0.00 C ATOM 1308 C ARG A 91 7.559 1.994 -1.870 1.00 0.00 C ATOM 1309 O ARG A 91 6.676 2.578 -1.240 1.00 0.00 O ATOM 1310 CB ARG A 91 7.686 2.171 -4.362 1.00 0.00 C ATOM 1311 CG ARG A 91 7.677 1.446 -5.698 1.00 0.00 C ATOM 1312 CD ARG A 91 8.042 2.380 -6.841 1.00 0.00 C ATOM 1313 NE ARG A 91 8.851 1.712 -7.856 1.00 0.00 N ATOM 1314 CZ ARG A 91 9.007 2.166 -9.098 1.00 0.00 C ATOM 1315 NH1 ARG A 91 8.409 3.288 -9.481 1.00 0.00 N ATOM 1316 NH2 ARG A 91 9.761 1.497 -9.959 1.00 0.00 N ATOM 0 H ARG A 91 5.250 1.757 -3.629 1.00 0.00 H new ATOM 0 HA ARG A 91 7.800 0.355 -3.219 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.028 3.038 -4.424 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.691 2.547 -4.168 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.381 0.615 -5.667 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.689 1.020 -5.876 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.131 2.765 -7.299 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.589 3.237 -6.448 1.00 0.00 H new ATOM 0 HE ARG A 91 9.325 0.846 -7.599 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.827 3.806 -8.823 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.532 3.632 -10.433 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.222 0.634 -9.670 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.880 1.845 -10.910 1.00 0.00 H new ATOM 1330 N ARG A 92 8.820 1.931 -1.457 1.00 0.00 N ATOM 1331 CA ARG A 92 9.251 2.560 -0.213 1.00 0.00 C ATOM 1332 C ARG A 92 9.547 4.041 -0.425 1.00 0.00 C ATOM 1333 O ARG A 92 10.410 4.404 -1.224 1.00 0.00 O ATOM 1334 CB ARG A 92 10.492 1.854 0.336 1.00 0.00 C ATOM 1335 CG ARG A 92 10.593 1.891 1.852 1.00 0.00 C ATOM 1336 CD ARG A 92 11.603 0.878 2.369 1.00 0.00 C ATOM 1337 NE ARG A 92 11.808 0.995 3.810 1.00 0.00 N ATOM 1338 CZ ARG A 92 12.562 1.934 4.378 1.00 0.00 C ATOM 1339 NH1 ARG A 92 13.182 2.839 3.630 1.00 0.00 N ATOM 1340 NH2 ARG A 92 12.696 1.969 5.696 1.00 0.00 N ATOM 0 H ARG A 92 9.562 1.451 -1.965 1.00 0.00 H new ATOM 0 HA ARG A 92 8.440 2.470 0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 92 10.484 0.815 0.006 1.00 0.00 H new ATOM 0 HB3 ARG A 92 11.382 2.317 -0.090 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.882 2.891 2.174 1.00 0.00 H new ATOM 0 HG3 ARG A 92 9.615 1.686 2.288 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.260 -0.129 2.132 1.00 0.00 H new ATOM 0 HD3 ARG A 92 12.554 1.020 1.855 1.00 0.00 H new ATOM 0 HE ARG A 92 11.346 0.318 4.417 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.082 2.817 2.615 1.00 0.00 H new ATOM 0 HH12 ARG A 92 13.758 3.556 4.070 1.00 0.00 H new ATOM 0 HH21 ARG A 92 12.222 1.277 6.275 1.00 0.00 H new ATOM 0 HH22 ARG A 92 13.274 2.688 6.131 1.00 0.00 H new ATOM 1354 N ALA A 93 8.824 4.892 0.296 1.00 0.00 N ATOM 1355 CA ALA A 93 9.011 6.334 0.188 1.00 0.00 C ATOM 1356 C ALA A 93 10.340 6.762 0.800 1.00 0.00 C ATOM 1357 O ALA A 93 10.568 6.592 1.997 1.00 0.00 O ATOM 1358 CB ALA A 93 7.856 7.065 0.858 1.00 0.00 C ATOM 0 H ALA A 93 8.104 4.608 0.961 1.00 0.00 H new ATOM 0 HA ALA A 93 9.029 6.597 -0.870 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.007 8.141 0.771 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.920 6.789 0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.813 6.789 1.912 1.00 0.00 H new ATOM 1364 N THR A 94 11.217 7.318 -0.032 1.00 0.00 N ATOM 1365 CA THR A 94 12.528 7.771 0.423 1.00 0.00 C ATOM 1366 C THR A 94 13.280 6.648 1.133 1.00 0.00 C ATOM 1367 O THR A 94 13.096 6.422 2.329 1.00 0.00 O ATOM 1368 CB THR A 94 12.382 8.976 1.357 1.00 0.00 C ATOM 1369 OG1 THR A 94 11.928 8.572 2.637 1.00 0.00 O ATOM 1370 CG2 THR A 94 11.419 10.023 0.836 1.00 0.00 C ATOM 0 H THR A 94 11.043 7.466 -1.026 1.00 0.00 H new ATOM 0 HA THR A 94 13.103 8.069 -0.454 1.00 0.00 H new ATOM 0 HB THR A 94 13.377 9.416 1.415 1.00 0.00 H new ATOM 0 HG1 THR A 94 11.802 7.600 2.648 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.362 10.849 1.545 1.00 0.00 H new ATOM 0 HG22 THR A 94 11.771 10.394 -0.127 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.431 9.580 0.715 1.00 0.00 H new ATOM 1378 N SER A 95 14.127 5.948 0.386 1.00 0.00 N ATOM 1379 CA SER A 95 14.907 4.848 0.941 1.00 0.00 C ATOM 1380 C SER A 95 16.385 5.215 1.020 1.00 0.00 C ATOM 1381 O SER A 95 17.256 4.363 0.843 1.00 0.00 O ATOM 1382 CB SER A 95 14.727 3.588 0.093 1.00 0.00 C ATOM 1383 OG SER A 95 13.384 3.451 -0.338 1.00 0.00 O ATOM 0 H SER A 95 14.291 6.123 -0.605 1.00 0.00 H new ATOM 0 HA SER A 95 14.545 4.652 1.950 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.388 3.631 -0.773 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.018 2.711 0.672 1.00 0.00 H new ATOM 0 HG SER A 95 13.326 2.735 -1.005 1.00 0.00 H new ATOM 1389 N GLY A 96 16.661 6.487 1.286 1.00 0.00 N ATOM 1390 CA GLY A 96 18.035 6.943 1.384 1.00 0.00 C ATOM 1391 C GLY A 96 18.142 8.454 1.455 1.00 0.00 C ATOM 1392 O GLY A 96 18.439 9.105 0.453 1.00 0.00 O ATOM 0 H GLY A 96 15.958 7.210 1.436 1.00 0.00 H new ATOM 0 HA2 GLY A 96 18.497 6.507 2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.596 6.582 0.522 1.00 0.00 H new ATOM 1396 N PRO A 97 17.906 9.047 2.638 1.00 0.00 N ATOM 1397 CA PRO A 97 17.984 10.501 2.822 1.00 0.00 C ATOM 1398 C PRO A 97 19.307 11.076 2.328 1.00 0.00 C ATOM 1399 O PRO A 97 19.351 12.179 1.784 1.00 0.00 O ATOM 1400 CB PRO A 97 17.858 10.676 4.337 1.00 0.00 C ATOM 1401 CG PRO A 97 17.122 9.466 4.799 1.00 0.00 C ATOM 1402 CD PRO A 97 17.548 8.350 3.886 1.00 0.00 C ATOM 0 HA PRO A 97 17.215 11.025 2.254 1.00 0.00 H new ATOM 0 HB2 PRO A 97 18.837 10.748 4.810 1.00 0.00 H new ATOM 0 HB3 PRO A 97 17.316 11.588 4.586 1.00 0.00 H new ATOM 0 HG2 PRO A 97 17.363 9.235 5.837 1.00 0.00 H new ATOM 0 HG3 PRO A 97 16.044 9.622 4.749 1.00 0.00 H new ATOM 0 HD2 PRO A 97 18.394 7.798 4.295 1.00 0.00 H new ATOM 0 HD3 PRO A 97 16.744 7.631 3.728 1.00 0.00 H new ATOM 1410 N SER A 98 20.382 10.320 2.521 1.00 0.00 N ATOM 1411 CA SER A 98 21.708 10.751 2.095 1.00 0.00 C ATOM 1412 C SER A 98 22.182 9.951 0.884 1.00 0.00 C ATOM 1413 O SER A 98 23.017 10.417 0.109 1.00 0.00 O ATOM 1414 CB SER A 98 22.709 10.603 3.242 1.00 0.00 C ATOM 1415 OG SER A 98 22.261 11.284 4.402 1.00 0.00 O ATOM 0 H SER A 98 20.361 9.405 2.970 1.00 0.00 H new ATOM 0 HA SER A 98 21.645 11.801 1.810 1.00 0.00 H new ATOM 0 HB2 SER A 98 22.852 9.547 3.469 1.00 0.00 H new ATOM 0 HB3 SER A 98 23.678 10.998 2.936 1.00 0.00 H new ATOM 0 HG SER A 98 22.918 11.172 5.121 1.00 0.00 H new ATOM 1421 N SER A 99 21.644 8.744 0.728 1.00 0.00 N ATOM 1422 CA SER A 99 22.013 7.879 -0.388 1.00 0.00 C ATOM 1423 C SER A 99 23.472 7.448 -0.283 1.00 0.00 C ATOM 1424 O SER A 99 24.383 8.248 -0.498 1.00 0.00 O ATOM 1425 CB SER A 99 21.773 8.594 -1.720 1.00 0.00 C ATOM 1426 OG SER A 99 21.910 7.701 -2.811 1.00 0.00 O ATOM 0 H SER A 99 20.951 8.343 1.360 1.00 0.00 H new ATOM 0 HA SER A 99 21.386 6.988 -0.346 1.00 0.00 H new ATOM 0 HB2 SER A 99 20.774 9.031 -1.727 1.00 0.00 H new ATOM 0 HB3 SER A 99 22.481 9.416 -1.828 1.00 0.00 H new ATOM 0 HG SER A 99 21.750 8.182 -3.650 1.00 0.00 H new ATOM 1432 N GLY A 100 23.686 6.179 0.047 1.00 0.00 N ATOM 1433 CA GLY A 100 25.036 5.663 0.176 1.00 0.00 C ATOM 1434 C GLY A 100 25.093 4.152 0.056 1.00 0.00 C ATOM 1435 O GLY A 100 24.669 3.623 -0.991 1.00 0.00 O ATOM 1436 OXT GLY A 100 25.564 3.499 1.012 1.00 0.00 O ATOM 0 H GLY A 100 22.948 5.498 0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 100 25.667 6.110 -0.592 1.00 0.00 H new ATOM 0 HA3 GLY A 100 25.446 5.964 1.140 1.00 0.00 H new TER 1440 GLY A 100