USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 687 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 ASN : amide:sc= 0.857 K(o=2,f=-2.8!) USER MOD Set 1.2: A 77 CYS SG : rot 64:sc= 0.356 USER MOD Set 1.3: A 84 SER OG : rot 67:sc= 0.78 USER MOD Set 2.1: A 34 GLN : amide:sc= -0.449 K(o=-0.017,f=-5.3) USER MOD Set 2.2: A 67 HIS : no HE2:sc= 0.431 K(o=-0.017,f=-5.3!) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.175 (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 25:sc= 1.32 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 MET CE :methyl 176:sc= -1.49 (180deg=-1.55!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -174:sc= -0.326 (180deg=-0.443) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot -170:sc= 0.268 USER MOD Single : A 30 SER OG : rot -46:sc= 1.4 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 CYS SG : rot 130:sc= -0.978 USER MOD Single : A 49 CYS SG : rot 150:sc= -0.0706 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= 0.118 X(o=0.12,f=-0.00092) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 66 SER OG : rot 180:sc= 0.00403 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -153:sc= 0.739 (180deg=0.0499) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 130:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.666 15.889 -30.249 1.00 0.00 N ATOM 2 CA GLY A 1 7.730 16.196 -29.151 1.00 0.00 C ATOM 3 C GLY A 1 8.407 15.925 -27.818 1.00 0.00 C ATOM 4 O GLY A 1 9.520 15.411 -27.816 1.00 0.00 O ATOM 0 H1 GLY A 1 8.855 16.753 -30.796 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.557 15.527 -29.854 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.246 15.170 -30.872 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.417 17.239 -29.207 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.831 15.587 -29.245 1.00 0.00 H new ATOM 8 N SER A 2 7.763 16.269 -26.705 1.00 0.00 N ATOM 9 CA SER A 2 8.170 15.915 -25.349 1.00 0.00 C ATOM 10 C SER A 2 6.905 15.975 -24.479 1.00 0.00 C ATOM 11 O SER A 2 5.845 16.338 -24.992 1.00 0.00 O ATOM 12 CB SER A 2 9.262 16.885 -24.865 1.00 0.00 C ATOM 13 OG SER A 2 9.828 16.424 -23.656 1.00 0.00 O ATOM 0 H SER A 2 6.908 16.825 -26.725 1.00 0.00 H new ATOM 0 HA SER A 2 8.600 14.915 -25.296 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.038 16.978 -25.625 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.837 17.878 -24.720 1.00 0.00 H new ATOM 0 HG SER A 2 10.522 17.049 -23.360 1.00 0.00 H new ATOM 19 N SER A 3 7.014 15.639 -23.190 1.00 0.00 N ATOM 20 CA SER A 3 5.959 15.766 -22.177 1.00 0.00 C ATOM 21 C SER A 3 4.679 14.953 -22.480 1.00 0.00 C ATOM 22 O SER A 3 3.660 15.126 -21.811 1.00 0.00 O ATOM 23 CB SER A 3 5.694 17.267 -21.940 1.00 0.00 C ATOM 24 OG SER A 3 5.309 17.551 -20.610 1.00 0.00 O ATOM 0 H SER A 3 7.877 15.254 -22.806 1.00 0.00 H new ATOM 0 HA SER A 3 6.314 15.310 -21.252 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.594 17.833 -22.182 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.912 17.605 -22.620 1.00 0.00 H new ATOM 0 HG SER A 3 5.155 18.514 -20.513 1.00 0.00 H new ATOM 30 N GLY A 4 4.708 14.039 -23.456 1.00 0.00 N ATOM 31 CA GLY A 4 3.587 13.169 -23.784 1.00 0.00 C ATOM 32 C GLY A 4 3.661 11.934 -22.900 1.00 0.00 C ATOM 33 O GLY A 4 4.233 10.933 -23.333 1.00 0.00 O ATOM 0 H GLY A 4 5.526 13.885 -24.046 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.643 13.691 -23.627 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.623 12.885 -24.836 1.00 0.00 H new ATOM 37 N SER A 5 3.181 12.025 -21.659 1.00 0.00 N ATOM 38 CA SER A 5 3.080 10.957 -20.667 1.00 0.00 C ATOM 39 C SER A 5 2.354 11.520 -19.443 1.00 0.00 C ATOM 40 O SER A 5 3.004 11.956 -18.490 1.00 0.00 O ATOM 41 CB SER A 5 4.465 10.414 -20.275 1.00 0.00 C ATOM 42 OG SER A 5 4.960 9.523 -21.259 1.00 0.00 O ATOM 0 H SER A 5 2.828 12.911 -21.296 1.00 0.00 H new ATOM 0 HA SER A 5 2.524 10.120 -21.089 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.161 11.243 -20.147 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.400 9.901 -19.315 1.00 0.00 H new ATOM 0 HG SER A 5 4.552 9.733 -22.125 1.00 0.00 H new ATOM 48 N SER A 6 1.020 11.534 -19.470 1.00 0.00 N ATOM 49 CA SER A 6 0.231 11.664 -18.244 1.00 0.00 C ATOM 50 C SER A 6 0.218 10.336 -17.475 1.00 0.00 C ATOM 51 O SER A 6 0.824 9.350 -17.906 1.00 0.00 O ATOM 52 CB SER A 6 -1.180 12.164 -18.565 1.00 0.00 C ATOM 53 OG SER A 6 -1.103 13.502 -19.022 1.00 0.00 O ATOM 0 H SER A 6 0.466 11.457 -20.323 1.00 0.00 H new ATOM 0 HA SER A 6 0.695 12.408 -17.596 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.639 11.532 -19.326 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.811 12.105 -17.678 1.00 0.00 H new ATOM 0 HG SER A 6 -2.003 13.829 -19.231 1.00 0.00 H new ATOM 59 N GLY A 7 -0.442 10.334 -16.315 1.00 0.00 N ATOM 60 CA GLY A 7 -0.304 9.286 -15.324 1.00 0.00 C ATOM 61 C GLY A 7 -0.864 7.940 -15.767 1.00 0.00 C ATOM 62 O GLY A 7 -1.615 7.816 -16.746 1.00 0.00 O ATOM 0 H GLY A 7 -1.092 11.071 -16.043 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.752 9.167 -15.080 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.810 9.596 -14.409 1.00 0.00 H new ATOM 66 N GLN A 8 -0.514 6.935 -14.974 1.00 0.00 N ATOM 67 CA GLN A 8 -1.021 5.578 -15.015 1.00 0.00 C ATOM 68 C GLN A 8 -1.223 5.112 -13.575 1.00 0.00 C ATOM 69 O GLN A 8 -0.719 5.736 -12.639 1.00 0.00 O ATOM 70 CB GLN A 8 -0.055 4.671 -15.799 1.00 0.00 C ATOM 71 CG GLN A 8 1.377 4.613 -15.239 1.00 0.00 C ATOM 72 CD GLN A 8 2.193 3.558 -15.981 1.00 0.00 C ATOM 73 OE1 GLN A 8 2.498 3.707 -17.159 1.00 0.00 O ATOM 74 NE2 GLN A 8 2.518 2.453 -15.334 1.00 0.00 N ATOM 0 H GLN A 8 0.179 7.060 -14.236 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.976 5.530 -15.538 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.463 3.661 -15.818 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.012 5.017 -16.832 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.854 5.588 -15.339 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.349 4.379 -14.175 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.259 2.341 -14.354 1.00 0.00 H new ATOM 0 HE22 GLN A 8 3.028 1.712 -15.815 1.00 0.00 H new ATOM 83 N ALA A 9 -1.937 4.007 -13.401 1.00 0.00 N ATOM 84 CA ALA A 9 -2.119 3.326 -12.133 1.00 0.00 C ATOM 85 C ALA A 9 -2.188 1.847 -12.476 1.00 0.00 C ATOM 86 O ALA A 9 -3.254 1.228 -12.437 1.00 0.00 O ATOM 87 CB ALA A 9 -3.378 3.833 -11.430 1.00 0.00 C ATOM 0 H ALA A 9 -2.422 3.546 -14.171 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.305 3.514 -11.433 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.499 3.312 -10.480 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.286 4.904 -11.247 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.247 3.646 -12.060 1.00 0.00 H new ATOM 93 N GLU A 10 -1.058 1.317 -12.933 1.00 0.00 N ATOM 94 CA GLU A 10 -0.878 -0.088 -13.233 1.00 0.00 C ATOM 95 C GLU A 10 -0.332 -0.670 -11.930 1.00 0.00 C ATOM 96 O GLU A 10 0.815 -0.405 -11.554 1.00 0.00 O ATOM 97 CB GLU A 10 0.009 -0.233 -14.484 1.00 0.00 C ATOM 98 CG GLU A 10 -0.221 -1.539 -15.263 1.00 0.00 C ATOM 99 CD GLU A 10 0.573 -2.724 -14.718 1.00 0.00 C ATOM 100 OE1 GLU A 10 1.813 -2.610 -14.602 1.00 0.00 O ATOM 101 OE2 GLU A 10 -0.009 -3.786 -14.409 1.00 0.00 O ATOM 0 H GLU A 10 -0.222 1.874 -13.108 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.777 -0.639 -13.509 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.175 0.612 -15.148 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.055 -0.180 -14.184 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.283 -1.783 -15.241 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.048 -1.381 -16.307 1.00 0.00 H new ATOM 108 N LEU A 11 -1.227 -1.311 -11.180 1.00 0.00 N ATOM 109 CA LEU A 11 -1.001 -1.977 -9.899 1.00 0.00 C ATOM 110 C LEU A 11 -0.154 -3.240 -10.139 1.00 0.00 C ATOM 111 O LEU A 11 0.565 -3.322 -11.137 1.00 0.00 O ATOM 112 CB LEU A 11 -2.357 -2.258 -9.223 1.00 0.00 C ATOM 113 CG LEU A 11 -3.042 -0.947 -8.773 1.00 0.00 C ATOM 114 CD1 LEU A 11 -4.244 -0.621 -9.661 1.00 0.00 C ATOM 115 CD2 LEU A 11 -3.505 -1.038 -7.318 1.00 0.00 C ATOM 0 H LEU A 11 -2.201 -1.383 -11.474 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.440 -1.344 -9.212 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.008 -2.792 -9.916 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.208 -2.908 -8.361 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.302 -0.152 -8.864 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.706 0.306 -9.322 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.913 -0.505 -10.693 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.970 -1.432 -9.602 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.983 -0.102 -7.029 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.217 -1.857 -7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.645 -1.220 -6.673 1.00 0.00 H new ATOM 127 N MET A 12 -0.208 -4.236 -9.251 1.00 0.00 N ATOM 128 CA MET A 12 0.278 -5.582 -9.542 1.00 0.00 C ATOM 129 C MET A 12 -0.844 -6.555 -9.198 1.00 0.00 C ATOM 130 O MET A 12 -1.501 -6.389 -8.169 1.00 0.00 O ATOM 131 CB MET A 12 1.592 -5.880 -8.801 1.00 0.00 C ATOM 132 CG MET A 12 2.662 -4.814 -9.094 1.00 0.00 C ATOM 133 SD MET A 12 4.399 -5.212 -8.741 1.00 0.00 S ATOM 134 CE MET A 12 4.282 -6.275 -7.285 1.00 0.00 C ATOM 0 H MET A 12 -0.590 -4.129 -8.311 1.00 0.00 H new ATOM 0 HA MET A 12 0.528 -5.686 -10.598 1.00 0.00 H new ATOM 0 HB2 MET A 12 1.404 -5.922 -7.728 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.964 -6.861 -9.098 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.589 -4.552 -10.150 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.404 -3.920 -8.526 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.275 -6.639 -7.019 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.869 -5.707 -6.452 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.632 -7.122 -7.504 1.00 0.00 H new ATOM 144 N THR A 13 -1.078 -7.537 -10.068 1.00 0.00 N ATOM 145 CA THR A 13 -2.235 -8.420 -10.052 1.00 0.00 C ATOM 146 C THR A 13 -1.703 -9.823 -10.270 1.00 0.00 C ATOM 147 O THR A 13 -1.239 -10.174 -11.356 1.00 0.00 O ATOM 148 CB THR A 13 -3.247 -8.022 -11.127 1.00 0.00 C ATOM 149 OG1 THR A 13 -3.652 -6.678 -10.961 1.00 0.00 O ATOM 150 CG2 THR A 13 -4.487 -8.923 -11.177 1.00 0.00 C ATOM 0 H THR A 13 -0.437 -7.744 -10.834 1.00 0.00 H new ATOM 0 HA THR A 13 -2.770 -8.355 -9.104 1.00 0.00 H new ATOM 0 HB THR A 13 -2.725 -8.146 -12.076 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.298 -6.442 -11.659 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.157 -8.577 -11.964 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.183 -9.949 -11.384 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.004 -8.885 -10.218 1.00 0.00 H new ATOM 158 N LEU A 14 -1.680 -10.579 -9.189 1.00 0.00 N ATOM 159 CA LEU A 14 -1.067 -11.880 -9.074 1.00 0.00 C ATOM 160 C LEU A 14 -2.168 -12.920 -8.886 1.00 0.00 C ATOM 161 O LEU A 14 -3.327 -12.569 -8.620 1.00 0.00 O ATOM 162 CB LEU A 14 -0.105 -11.894 -7.881 1.00 0.00 C ATOM 163 CG LEU A 14 0.830 -10.687 -7.682 1.00 0.00 C ATOM 164 CD1 LEU A 14 1.602 -10.243 -8.928 1.00 0.00 C ATOM 165 CD2 LEU A 14 0.194 -9.508 -6.941 1.00 0.00 C ATOM 0 H LEU A 14 -2.116 -10.279 -8.317 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.499 -12.111 -9.975 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.701 -12.006 -6.975 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.517 -12.785 -7.966 1.00 0.00 H new ATOM 0 HG LEU A 14 1.588 -11.091 -7.011 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.230 -9.387 -8.681 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.228 -11.063 -9.280 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.898 -9.962 -9.711 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.922 -8.703 -6.845 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.671 -9.150 -7.500 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.123 -9.830 -5.949 1.00 0.00 H new ATOM 177 N THR A 15 -1.814 -14.195 -8.998 1.00 0.00 N ATOM 178 CA THR A 15 -2.735 -15.303 -8.798 1.00 0.00 C ATOM 179 C THR A 15 -2.121 -16.261 -7.779 1.00 0.00 C ATOM 180 O THR A 15 -0.899 -16.406 -7.751 1.00 0.00 O ATOM 181 CB THR A 15 -3.058 -16.000 -10.136 1.00 0.00 C ATOM 182 OG1 THR A 15 -2.732 -15.218 -11.282 1.00 0.00 O ATOM 183 CG2 THR A 15 -4.553 -16.293 -10.204 1.00 0.00 C ATOM 0 H THR A 15 -0.866 -14.490 -9.233 1.00 0.00 H new ATOM 0 HA THR A 15 -3.686 -14.938 -8.409 1.00 0.00 H new ATOM 0 HB THR A 15 -2.451 -16.905 -10.157 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.959 -15.717 -12.094 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.785 -16.786 -11.148 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.834 -16.944 -9.376 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.110 -15.359 -10.136 1.00 0.00 H new ATOM 191 N ILE A 16 -2.945 -16.884 -6.934 1.00 0.00 N ATOM 192 CA ILE A 16 -2.501 -17.757 -5.852 1.00 0.00 C ATOM 193 C ILE A 16 -3.379 -19.006 -5.755 1.00 0.00 C ATOM 194 O ILE A 16 -4.604 -18.884 -5.702 1.00 0.00 O ATOM 195 CB ILE A 16 -2.479 -16.973 -4.519 1.00 0.00 C ATOM 196 CG1 ILE A 16 -3.749 -16.166 -4.183 1.00 0.00 C ATOM 197 CG2 ILE A 16 -1.309 -15.987 -4.472 1.00 0.00 C ATOM 198 CD1 ILE A 16 -3.693 -15.535 -2.790 1.00 0.00 C ATOM 0 H ILE A 16 -3.960 -16.792 -6.986 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.488 -18.096 -6.068 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.390 -17.769 -3.780 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.885 -15.382 -4.928 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.618 -16.820 -4.247 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.322 -15.452 -3.522 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.370 -16.532 -4.569 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.401 -15.274 -5.291 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.612 -14.979 -2.605 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.586 -16.318 -2.040 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.841 -14.858 -2.731 1.00 0.00 H new ATOM 210 N VAL A 17 -2.777 -20.199 -5.664 1.00 0.00 N ATOM 211 CA VAL A 17 -3.500 -21.448 -5.428 1.00 0.00 C ATOM 212 C VAL A 17 -3.590 -21.696 -3.922 1.00 0.00 C ATOM 213 O VAL A 17 -2.594 -21.935 -3.232 1.00 0.00 O ATOM 214 CB VAL A 17 -2.895 -22.634 -6.207 1.00 0.00 C ATOM 215 CG1 VAL A 17 -3.536 -23.978 -5.807 1.00 0.00 C ATOM 216 CG2 VAL A 17 -3.134 -22.460 -7.716 1.00 0.00 C ATOM 0 H VAL A 17 -1.768 -20.322 -5.753 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.513 -21.354 -5.818 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.832 -22.645 -5.968 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.079 -24.784 -6.381 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.377 -24.155 -4.743 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.606 -23.947 -6.014 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.702 -23.304 -8.253 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.205 -22.416 -7.912 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.665 -21.536 -8.055 1.00 0.00 H new ATOM 226 N LYS A 18 -4.818 -21.661 -3.406 1.00 0.00 N ATOM 227 CA LYS A 18 -5.137 -22.063 -2.040 1.00 0.00 C ATOM 228 C LYS A 18 -4.863 -23.561 -1.899 1.00 0.00 C ATOM 229 O LYS A 18 -5.394 -24.328 -2.697 1.00 0.00 O ATOM 230 CB LYS A 18 -6.611 -21.716 -1.800 1.00 0.00 C ATOM 231 CG LYS A 18 -6.986 -21.711 -0.316 1.00 0.00 C ATOM 232 CD LYS A 18 -8.402 -21.151 -0.134 1.00 0.00 C ATOM 233 CE LYS A 18 -8.720 -20.950 1.349 1.00 0.00 C ATOM 234 NZ LYS A 18 -9.379 -22.113 1.979 1.00 0.00 N ATOM 0 H LYS A 18 -5.631 -21.347 -3.936 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.528 -21.547 -1.298 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.823 -20.736 -2.227 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.239 -22.435 -2.326 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.932 -22.723 0.084 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.273 -21.108 0.246 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.493 -20.202 -0.662 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.128 -21.833 -0.577 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.795 -20.734 1.884 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.363 -20.076 1.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.656 -21.870 2.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.225 -22.371 1.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.720 -22.918 1.997 1.00 0.00 H new ATOM 248 N GLY A 19 -4.068 -23.992 -0.920 1.00 0.00 N ATOM 249 CA GLY A 19 -3.616 -25.380 -0.834 1.00 0.00 C ATOM 250 C GLY A 19 -4.656 -26.271 -0.169 1.00 0.00 C ATOM 251 O GLY A 19 -5.298 -27.080 -0.842 1.00 0.00 O ATOM 0 H GLY A 19 -3.721 -23.394 -0.170 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.402 -25.755 -1.835 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.684 -25.425 -0.270 1.00 0.00 H new ATOM 255 N ALA A 20 -4.832 -26.120 1.149 1.00 0.00 N ATOM 256 CA ALA A 20 -5.886 -26.767 1.932 1.00 0.00 C ATOM 257 C ALA A 20 -6.019 -26.081 3.293 1.00 0.00 C ATOM 258 O ALA A 20 -7.112 -25.632 3.655 1.00 0.00 O ATOM 259 CB ALA A 20 -5.610 -28.262 2.124 1.00 0.00 C ATOM 0 H ALA A 20 -4.226 -25.526 1.715 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.821 -26.669 1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.414 -28.708 2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.556 -28.750 1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.663 -28.393 2.648 1.00 0.00 H new ATOM 265 N GLN A 21 -4.909 -25.948 4.031 1.00 0.00 N ATOM 266 CA GLN A 21 -4.815 -25.157 5.266 1.00 0.00 C ATOM 267 C GLN A 21 -4.797 -23.653 4.944 1.00 0.00 C ATOM 268 O GLN A 21 -3.856 -22.917 5.237 1.00 0.00 O ATOM 269 CB GLN A 21 -3.724 -25.687 6.204 1.00 0.00 C ATOM 270 CG GLN A 21 -2.336 -25.488 5.628 1.00 0.00 C ATOM 271 CD GLN A 21 -1.325 -26.466 6.213 1.00 0.00 C ATOM 272 OE1 GLN A 21 -0.626 -26.163 7.180 1.00 0.00 O ATOM 273 NE2 GLN A 21 -1.228 -27.670 5.675 1.00 0.00 N ATOM 0 H GLN A 21 -4.029 -26.399 3.780 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.717 -25.285 5.865 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.794 -25.179 7.166 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.890 -26.748 6.391 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.373 -25.610 4.545 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.006 -24.467 5.823 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.808 -27.919 4.874 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -0.573 -28.350 6.061 1.00 0.00 H new ATOM 282 N GLY A 22 -5.856 -23.210 4.267 1.00 0.00 N ATOM 283 CA GLY A 22 -5.890 -21.965 3.530 1.00 0.00 C ATOM 284 C GLY A 22 -4.776 -21.923 2.489 1.00 0.00 C ATOM 285 O GLY A 22 -4.403 -22.944 1.900 1.00 0.00 O ATOM 0 H GLY A 22 -6.734 -23.728 4.220 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.857 -21.854 3.039 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.783 -21.126 4.218 1.00 0.00 H new ATOM 289 N PHE A 23 -4.317 -20.713 2.200 1.00 0.00 N ATOM 290 CA PHE A 23 -3.033 -20.470 1.568 1.00 0.00 C ATOM 291 C PHE A 23 -1.988 -20.527 2.683 1.00 0.00 C ATOM 292 O PHE A 23 -2.330 -20.279 3.842 1.00 0.00 O ATOM 293 CB PHE A 23 -3.027 -19.069 0.943 1.00 0.00 C ATOM 294 CG PHE A 23 -4.230 -18.713 0.089 1.00 0.00 C ATOM 295 CD1 PHE A 23 -5.439 -18.296 0.688 1.00 0.00 C ATOM 296 CD2 PHE A 23 -4.133 -18.774 -1.314 1.00 0.00 C ATOM 297 CE1 PHE A 23 -6.550 -17.979 -0.107 1.00 0.00 C ATOM 298 CE2 PHE A 23 -5.251 -18.461 -2.103 1.00 0.00 C ATOM 299 CZ PHE A 23 -6.456 -18.054 -1.501 1.00 0.00 C ATOM 0 H PHE A 23 -4.838 -19.860 2.403 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.829 -21.202 0.786 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.947 -18.336 1.746 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.131 -18.970 0.331 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.508 -18.221 1.763 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.202 -19.060 -1.781 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.478 -17.677 0.357 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.186 -18.533 -3.179 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.308 -17.800 -2.115 1.00 0.00 H new ATOM 309 N GLY A 24 -0.716 -20.782 2.368 1.00 0.00 N ATOM 310 CA GLY A 24 0.297 -20.776 3.418 1.00 0.00 C ATOM 311 C GLY A 24 0.622 -19.365 3.891 1.00 0.00 C ATOM 312 O GLY A 24 0.711 -19.143 5.090 1.00 0.00 O ATOM 0 H GLY A 24 -0.374 -20.988 1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.053 -21.370 4.263 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.205 -21.252 3.048 1.00 0.00 H new ATOM 316 N PHE A 25 0.812 -18.409 2.975 1.00 0.00 N ATOM 317 CA PHE A 25 1.115 -17.020 3.324 1.00 0.00 C ATOM 318 C PHE A 25 0.097 -16.465 4.327 1.00 0.00 C ATOM 319 O PHE A 25 -1.052 -16.909 4.410 1.00 0.00 O ATOM 320 CB PHE A 25 1.220 -16.101 2.088 1.00 0.00 C ATOM 321 CG PHE A 25 -0.097 -15.459 1.671 1.00 0.00 C ATOM 322 CD1 PHE A 25 -1.055 -16.205 0.967 1.00 0.00 C ATOM 323 CD2 PHE A 25 -0.395 -14.129 2.025 1.00 0.00 C ATOM 324 CE1 PHE A 25 -2.260 -15.621 0.546 1.00 0.00 C ATOM 325 CE2 PHE A 25 -1.608 -13.545 1.621 1.00 0.00 C ATOM 326 CZ PHE A 25 -2.531 -14.283 0.863 1.00 0.00 C ATOM 0 H PHE A 25 0.760 -18.578 1.971 1.00 0.00 H new ATOM 0 HA PHE A 25 2.098 -17.030 3.795 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.945 -15.314 2.296 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.609 -16.680 1.251 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.862 -17.244 0.746 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.310 -13.556 2.609 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.975 -16.200 -0.020 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.831 -12.524 1.895 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.447 -13.821 0.525 1.00 0.00 H new ATOM 336 N THR A 26 0.530 -15.456 5.065 1.00 0.00 N ATOM 337 CA THR A 26 -0.186 -14.870 6.184 1.00 0.00 C ATOM 338 C THR A 26 -0.426 -13.391 5.871 1.00 0.00 C ATOM 339 O THR A 26 0.293 -12.810 5.048 1.00 0.00 O ATOM 340 CB THR A 26 0.670 -15.085 7.449 1.00 0.00 C ATOM 341 OG1 THR A 26 2.015 -14.719 7.206 1.00 0.00 O ATOM 342 CG2 THR A 26 0.726 -16.542 7.899 1.00 0.00 C ATOM 0 H THR A 26 1.428 -15.005 4.892 1.00 0.00 H new ATOM 0 HA THR A 26 -1.159 -15.332 6.353 1.00 0.00 H new ATOM 0 HB THR A 26 0.195 -14.473 8.215 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.573 -15.006 7.958 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.344 -16.623 8.793 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.282 -16.893 8.121 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.156 -17.152 7.104 1.00 0.00 H new ATOM 350 N ILE A 27 -1.375 -12.742 6.550 1.00 0.00 N ATOM 351 CA ILE A 27 -1.558 -11.294 6.462 1.00 0.00 C ATOM 352 C ILE A 27 -1.467 -10.670 7.849 1.00 0.00 C ATOM 353 O ILE A 27 -1.642 -11.349 8.862 1.00 0.00 O ATOM 354 CB ILE A 27 -2.851 -10.905 5.710 1.00 0.00 C ATOM 355 CG1 ILE A 27 -4.124 -11.486 6.351 1.00 0.00 C ATOM 356 CG2 ILE A 27 -2.728 -11.320 4.238 1.00 0.00 C ATOM 357 CD1 ILE A 27 -5.410 -10.928 5.729 1.00 0.00 C ATOM 0 H ILE A 27 -2.036 -13.205 7.174 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.747 -10.885 5.860 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.959 -9.822 5.778 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.116 -12.571 6.246 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.119 -11.269 7.419 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.639 -11.047 3.706 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.877 -10.811 3.786 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.581 -12.398 4.175 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.275 -11.373 6.221 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.437 -9.846 5.858 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.434 -11.168 4.666 1.00 0.00 H new ATOM 369 N ALA A 28 -1.191 -9.371 7.870 1.00 0.00 N ATOM 370 CA ALA A 28 -1.193 -8.520 9.036 1.00 0.00 C ATOM 371 C ALA A 28 -1.965 -7.261 8.682 1.00 0.00 C ATOM 372 O ALA A 28 -1.955 -6.806 7.534 1.00 0.00 O ATOM 373 CB ALA A 28 0.238 -8.168 9.451 1.00 0.00 C ATOM 0 H ALA A 28 -0.947 -8.862 7.020 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.660 -9.033 9.877 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.214 -7.526 10.332 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.785 -9.082 9.683 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.735 -7.645 8.634 1.00 0.00 H new ATOM 379 N ASP A 29 -2.609 -6.697 9.693 1.00 0.00 N ATOM 380 CA ASP A 29 -3.317 -5.438 9.578 1.00 0.00 C ATOM 381 C ASP A 29 -2.288 -4.308 9.575 1.00 0.00 C ATOM 382 O ASP A 29 -1.267 -4.390 10.275 1.00 0.00 O ATOM 383 CB ASP A 29 -4.324 -5.332 10.729 1.00 0.00 C ATOM 384 CG ASP A 29 -5.416 -4.298 10.467 1.00 0.00 C ATOM 385 OD1 ASP A 29 -5.429 -3.666 9.392 1.00 0.00 O ATOM 386 OD2 ASP A 29 -6.289 -4.119 11.350 1.00 0.00 O ATOM 0 H ASP A 29 -2.653 -7.108 10.625 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.883 -5.370 8.649 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.785 -6.306 10.894 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.795 -5.071 11.645 1.00 0.00 H new ATOM 391 N SER A 30 -2.507 -3.281 8.759 1.00 0.00 N ATOM 392 CA SER A 30 -1.553 -2.208 8.502 1.00 0.00 C ATOM 393 C SER A 30 -2.324 -0.879 8.405 1.00 0.00 C ATOM 394 O SER A 30 -3.550 -0.884 8.242 1.00 0.00 O ATOM 395 CB SER A 30 -0.716 -2.577 7.253 1.00 0.00 C ATOM 396 OG SER A 30 -1.173 -1.934 6.080 1.00 0.00 O ATOM 0 H SER A 30 -3.380 -3.170 8.243 1.00 0.00 H new ATOM 0 HA SER A 30 -0.835 -2.079 9.312 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.326 -2.309 7.427 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.747 -3.657 7.106 1.00 0.00 H new ATOM 0 HG SER A 30 -2.149 -2.009 6.025 1.00 0.00 H new ATOM 402 N PRO A 31 -1.624 0.266 8.471 1.00 0.00 N ATOM 403 CA PRO A 31 -2.228 1.576 8.714 1.00 0.00 C ATOM 404 C PRO A 31 -3.139 2.113 7.607 1.00 0.00 C ATOM 405 O PRO A 31 -3.688 3.200 7.785 1.00 0.00 O ATOM 406 CB PRO A 31 -1.062 2.533 8.985 1.00 0.00 C ATOM 407 CG PRO A 31 0.166 1.812 8.438 1.00 0.00 C ATOM 408 CD PRO A 31 -0.177 0.343 8.546 1.00 0.00 C ATOM 0 HA PRO A 31 -2.913 1.482 9.557 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.213 3.491 8.488 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.958 2.739 10.050 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.367 2.098 7.405 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.058 2.055 9.015 1.00 0.00 H new ATOM 0 HD2 PRO A 31 0.287 -0.227 7.741 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.188 -0.076 9.484 1.00 0.00 H new ATOM 416 N THR A 32 -3.289 1.410 6.480 1.00 0.00 N ATOM 417 CA THR A 32 -4.216 1.802 5.424 1.00 0.00 C ATOM 418 C THR A 32 -5.007 0.617 4.861 1.00 0.00 C ATOM 419 O THR A 32 -5.757 0.803 3.905 1.00 0.00 O ATOM 420 CB THR A 32 -3.479 2.539 4.294 1.00 0.00 C ATOM 421 OG1 THR A 32 -2.590 1.674 3.624 1.00 0.00 O ATOM 422 CG2 THR A 32 -2.649 3.734 4.757 1.00 0.00 C ATOM 0 H THR A 32 -2.770 0.555 6.278 1.00 0.00 H new ATOM 0 HA THR A 32 -4.937 2.480 5.880 1.00 0.00 H new ATOM 0 HB THR A 32 -4.279 2.896 3.646 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.134 2.164 2.908 1.00 0.00 H new ATOM 0 HG21 THR A 32 -2.164 4.195 3.897 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.299 4.463 5.241 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.891 3.398 5.465 1.00 0.00 H new ATOM 430 N GLY A 33 -4.844 -0.602 5.377 1.00 0.00 N ATOM 431 CA GLY A 33 -5.435 -1.796 4.790 1.00 0.00 C ATOM 432 C GLY A 33 -4.557 -3.000 5.083 1.00 0.00 C ATOM 433 O GLY A 33 -3.559 -2.889 5.802 1.00 0.00 O ATOM 0 H GLY A 33 -4.295 -0.785 6.217 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.434 -1.955 5.195 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.545 -1.667 3.713 1.00 0.00 H new ATOM 437 N GLN A 34 -4.922 -4.162 4.556 1.00 0.00 N ATOM 438 CA GLN A 34 -4.215 -5.398 4.871 1.00 0.00 C ATOM 439 C GLN A 34 -2.911 -5.477 4.086 1.00 0.00 C ATOM 440 O GLN A 34 -2.818 -4.992 2.956 1.00 0.00 O ATOM 441 CB GLN A 34 -5.117 -6.619 4.621 1.00 0.00 C ATOM 442 CG GLN A 34 -6.405 -6.603 5.459 1.00 0.00 C ATOM 443 CD GLN A 34 -6.139 -6.161 6.891 1.00 0.00 C ATOM 444 OE1 GLN A 34 -5.461 -6.858 7.641 1.00 0.00 O ATOM 445 NE2 GLN A 34 -6.630 -4.991 7.266 1.00 0.00 N ATOM 0 H GLN A 34 -5.703 -4.275 3.909 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.959 -5.400 5.931 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.380 -6.658 3.564 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.558 -7.527 4.844 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.130 -5.931 4.999 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.850 -7.598 5.462 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.189 -4.440 6.615 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.449 -4.640 8.206 1.00 0.00 H new ATOM 454 N ARG A 35 -1.904 -6.122 4.676 1.00 0.00 N ATOM 455 CA ARG A 35 -0.647 -6.440 4.014 1.00 0.00 C ATOM 456 C ARG A 35 -0.303 -7.885 4.250 1.00 0.00 C ATOM 457 O ARG A 35 -0.769 -8.509 5.200 1.00 0.00 O ATOM 458 CB ARG A 35 0.496 -5.572 4.540 1.00 0.00 C ATOM 459 CG ARG A 35 0.436 -4.128 4.048 1.00 0.00 C ATOM 460 CD ARG A 35 1.681 -3.423 4.590 1.00 0.00 C ATOM 461 NE ARG A 35 1.485 -1.989 4.825 1.00 0.00 N ATOM 462 CZ ARG A 35 2.477 -1.117 5.039 1.00 0.00 C ATOM 463 NH1 ARG A 35 3.746 -1.441 4.806 1.00 0.00 N ATOM 464 NH2 ARG A 35 2.196 0.097 5.493 1.00 0.00 N ATOM 0 H ARG A 35 -1.944 -6.442 5.644 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.773 -6.246 2.949 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.475 -5.578 5.630 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.446 -6.012 4.237 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.415 -4.092 2.959 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.471 -3.637 4.401 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.981 -3.899 5.524 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.502 -3.559 3.885 1.00 0.00 H new ATOM 0 HE ARG A 35 0.529 -1.633 4.825 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.979 -2.371 4.457 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.486 -0.760 4.976 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.228 0.361 5.677 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.948 0.766 5.658 1.00 0.00 H new ATOM 478 N VAL A 36 0.600 -8.391 3.429 1.00 0.00 N ATOM 479 CA VAL A 36 1.182 -9.706 3.616 1.00 0.00 C ATOM 480 C VAL A 36 2.091 -9.634 4.842 1.00 0.00 C ATOM 481 O VAL A 36 2.933 -8.736 4.957 1.00 0.00 O ATOM 482 CB VAL A 36 1.879 -10.114 2.312 1.00 0.00 C ATOM 483 CG1 VAL A 36 2.693 -11.406 2.452 1.00 0.00 C ATOM 484 CG2 VAL A 36 0.805 -10.293 1.229 1.00 0.00 C ATOM 0 H VAL A 36 0.952 -7.897 2.609 1.00 0.00 H new ATOM 0 HA VAL A 36 0.447 -10.486 3.816 1.00 0.00 H new ATOM 0 HB VAL A 36 2.585 -9.328 2.044 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.163 -11.645 1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.462 -11.271 3.212 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.033 -12.222 2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.279 -10.584 0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.104 -11.068 1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.269 -9.354 1.089 1.00 0.00 H new ATOM 494 N LYS A 37 1.883 -10.555 5.783 1.00 0.00 N ATOM 495 CA LYS A 37 2.727 -10.764 6.951 1.00 0.00 C ATOM 496 C LYS A 37 3.973 -11.499 6.492 1.00 0.00 C ATOM 497 O LYS A 37 5.047 -10.905 6.521 1.00 0.00 O ATOM 498 CB LYS A 37 1.929 -11.499 8.043 1.00 0.00 C ATOM 499 CG LYS A 37 2.720 -12.216 9.148 1.00 0.00 C ATOM 500 CD LYS A 37 3.757 -11.341 9.850 1.00 0.00 C ATOM 501 CE LYS A 37 4.121 -12.021 11.168 1.00 0.00 C ATOM 502 NZ LYS A 37 5.203 -11.320 11.875 1.00 0.00 N ATOM 0 H LYS A 37 1.092 -11.198 5.748 1.00 0.00 H new ATOM 0 HA LYS A 37 3.045 -9.825 7.404 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.269 -10.775 8.520 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.293 -12.237 7.554 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.019 -12.596 9.892 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.224 -13.080 8.715 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.642 -11.220 9.225 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.356 -10.344 10.032 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.240 -12.064 11.808 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.424 -13.050 10.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.416 -11.817 12.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.053 -11.301 11.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.906 -10.346 12.086 1.00 0.00 H new ATOM 516 N GLN A 38 3.854 -12.765 6.094 1.00 0.00 N ATOM 517 CA GLN A 38 4.992 -13.579 5.706 1.00 0.00 C ATOM 518 C GLN A 38 4.553 -14.642 4.705 1.00 0.00 C ATOM 519 O GLN A 38 3.475 -15.229 4.852 1.00 0.00 O ATOM 520 CB GLN A 38 5.640 -14.205 6.955 1.00 0.00 C ATOM 521 CG GLN A 38 6.936 -14.946 6.572 1.00 0.00 C ATOM 522 CD GLN A 38 7.856 -15.234 7.755 1.00 0.00 C ATOM 523 OE1 GLN A 38 8.050 -14.389 8.629 1.00 0.00 O ATOM 524 NE2 GLN A 38 8.480 -16.397 7.788 1.00 0.00 N ATOM 0 H GLN A 38 2.960 -13.252 6.033 1.00 0.00 H new ATOM 0 HA GLN A 38 5.741 -12.954 5.221 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.860 -13.428 7.687 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.943 -14.898 7.426 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.675 -15.888 6.089 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.480 -14.351 5.838 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.310 -17.088 7.057 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.132 -16.605 8.544 1.00 0.00 H new ATOM 533 N ILE A 39 5.392 -14.909 3.706 1.00 0.00 N ATOM 534 CA ILE A 39 5.187 -15.979 2.737 1.00 0.00 C ATOM 535 C ILE A 39 5.750 -17.267 3.325 1.00 0.00 C ATOM 536 O ILE A 39 6.956 -17.395 3.531 1.00 0.00 O ATOM 537 CB ILE A 39 5.813 -15.608 1.378 1.00 0.00 C ATOM 538 CG1 ILE A 39 4.991 -14.437 0.814 1.00 0.00 C ATOM 539 CG2 ILE A 39 5.775 -16.788 0.387 1.00 0.00 C ATOM 540 CD1 ILE A 39 5.562 -13.818 -0.455 1.00 0.00 C ATOM 0 H ILE A 39 6.248 -14.377 3.546 1.00 0.00 H new ATOM 0 HA ILE A 39 4.125 -16.129 2.541 1.00 0.00 H new ATOM 0 HB ILE A 39 6.861 -15.342 1.517 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.979 -14.786 0.609 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.913 -13.663 1.578 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.226 -16.484 -0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.332 -17.629 0.801 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.741 -17.086 0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.919 -13.001 -0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.563 -13.435 -0.255 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.613 -14.575 -1.238 1.00 0.00 H new ATOM 552 N LEU A 40 4.863 -18.227 3.582 1.00 0.00 N ATOM 553 CA LEU A 40 5.219 -19.560 4.061 1.00 0.00 C ATOM 554 C LEU A 40 5.110 -20.591 2.936 1.00 0.00 C ATOM 555 O LEU A 40 5.511 -21.742 3.117 1.00 0.00 O ATOM 556 CB LEU A 40 4.291 -19.962 5.220 1.00 0.00 C ATOM 557 CG LEU A 40 4.177 -18.925 6.354 1.00 0.00 C ATOM 558 CD1 LEU A 40 3.139 -19.412 7.358 1.00 0.00 C ATOM 559 CD2 LEU A 40 5.513 -18.672 7.061 1.00 0.00 C ATOM 0 H LEU A 40 3.859 -18.097 3.461 1.00 0.00 H new ATOM 0 HA LEU A 40 6.252 -19.535 4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.295 -20.151 4.819 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.648 -20.902 5.642 1.00 0.00 H new ATOM 0 HG LEU A 40 3.873 -17.975 5.913 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.047 -18.687 8.167 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.176 -19.524 6.860 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.450 -20.374 7.766 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.373 -17.933 7.850 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.877 -19.603 7.496 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.241 -18.299 6.340 1.00 0.00 H new ATOM 571 N ASP A 41 4.540 -20.211 1.793 1.00 0.00 N ATOM 572 CA ASP A 41 4.152 -21.077 0.686 1.00 0.00 C ATOM 573 C ASP A 41 4.509 -20.320 -0.581 1.00 0.00 C ATOM 574 O ASP A 41 3.698 -19.571 -1.124 1.00 0.00 O ATOM 575 CB ASP A 41 2.658 -21.397 0.800 1.00 0.00 C ATOM 576 CG ASP A 41 2.072 -22.204 -0.357 1.00 0.00 C ATOM 577 OD1 ASP A 41 2.829 -22.675 -1.233 1.00 0.00 O ATOM 578 OD2 ASP A 41 0.837 -22.437 -0.306 1.00 0.00 O ATOM 0 H ASP A 41 4.325 -19.232 1.606 1.00 0.00 H new ATOM 0 HA ASP A 41 4.667 -22.038 0.687 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.491 -21.947 1.726 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.108 -20.460 0.882 1.00 0.00 H new ATOM 583 N ILE A 42 5.786 -20.388 -0.954 1.00 0.00 N ATOM 584 CA ILE A 42 6.338 -19.527 -1.995 1.00 0.00 C ATOM 585 C ILE A 42 5.715 -19.904 -3.342 1.00 0.00 C ATOM 586 O ILE A 42 5.341 -19.019 -4.111 1.00 0.00 O ATOM 587 CB ILE A 42 7.883 -19.609 -1.991 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.469 -19.129 -0.642 1.00 0.00 C ATOM 589 CG2 ILE A 42 8.482 -18.807 -3.161 1.00 0.00 C ATOM 590 CD1 ILE A 42 9.942 -19.507 -0.449 1.00 0.00 C ATOM 0 H ILE A 42 6.461 -21.036 -0.547 1.00 0.00 H new ATOM 0 HA ILE A 42 6.088 -18.484 -1.803 1.00 0.00 H new ATOM 0 HB ILE A 42 8.156 -20.656 -2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.368 -18.046 -0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.883 -19.555 0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.569 -18.882 -3.134 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.114 -19.210 -4.105 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.188 -17.761 -3.073 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.288 -19.140 0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.047 -20.591 -0.484 1.00 0.00 H new ATOM 0 HD13 ILE A 42 10.540 -19.059 -1.243 1.00 0.00 H new ATOM 602 N GLN A 43 5.626 -21.201 -3.648 1.00 0.00 N ATOM 603 CA GLN A 43 5.125 -21.658 -4.936 1.00 0.00 C ATOM 604 C GLN A 43 3.609 -21.555 -5.042 1.00 0.00 C ATOM 605 O GLN A 43 3.118 -21.288 -6.139 1.00 0.00 O ATOM 606 CB GLN A 43 5.558 -23.104 -5.195 1.00 0.00 C ATOM 607 CG GLN A 43 6.751 -23.153 -6.144 1.00 0.00 C ATOM 608 CD GLN A 43 7.101 -24.601 -6.430 1.00 0.00 C ATOM 609 OE1 GLN A 43 8.123 -25.094 -5.959 1.00 0.00 O ATOM 610 NE2 GLN A 43 6.291 -25.296 -7.206 1.00 0.00 N ATOM 0 H GLN A 43 5.897 -21.953 -3.014 1.00 0.00 H new ATOM 0 HA GLN A 43 5.556 -21.000 -5.691 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.818 -23.584 -4.252 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.727 -23.666 -5.620 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.514 -22.633 -7.072 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.605 -22.641 -5.701 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.449 -24.861 -7.584 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.507 -26.268 -7.428 1.00 0.00 H new ATOM 619 N GLY A 44 2.873 -21.770 -3.951 1.00 0.00 N ATOM 620 CA GLY A 44 1.424 -21.659 -3.927 1.00 0.00 C ATOM 621 C GLY A 44 0.967 -20.210 -3.804 1.00 0.00 C ATOM 622 O GLY A 44 -0.222 -19.930 -3.971 1.00 0.00 O ATOM 0 H GLY A 44 3.277 -22.029 -3.051 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.011 -22.094 -4.837 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.029 -22.236 -3.091 1.00 0.00 H new ATOM 626 N CYS A 45 1.883 -19.264 -3.553 1.00 0.00 N ATOM 627 CA CYS A 45 1.589 -17.840 -3.613 1.00 0.00 C ATOM 628 C CYS A 45 2.576 -17.119 -4.545 1.00 0.00 C ATOM 629 O CYS A 45 3.401 -16.338 -4.058 1.00 0.00 O ATOM 630 CB CYS A 45 1.512 -17.237 -2.199 1.00 0.00 C ATOM 631 SG CYS A 45 0.513 -18.327 -1.135 1.00 0.00 S ATOM 0 H CYS A 45 2.849 -19.474 -3.303 1.00 0.00 H new ATOM 0 HA CYS A 45 0.602 -17.694 -4.052 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.514 -17.123 -1.784 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.068 -16.242 -2.239 1.00 0.00 H new ATOM 0 HG CYS A 45 1.159 -18.569 -0.033 1.00 0.00 H new ATOM 637 N PRO A 46 2.535 -17.379 -5.868 1.00 0.00 N ATOM 638 CA PRO A 46 3.381 -16.687 -6.832 1.00 0.00 C ATOM 639 C PRO A 46 3.171 -15.174 -6.810 1.00 0.00 C ATOM 640 O PRO A 46 2.119 -14.684 -6.396 1.00 0.00 O ATOM 641 CB PRO A 46 3.003 -17.220 -8.216 1.00 0.00 C ATOM 642 CG PRO A 46 2.230 -18.498 -7.943 1.00 0.00 C ATOM 643 CD PRO A 46 1.631 -18.284 -6.562 1.00 0.00 C ATOM 0 HA PRO A 46 4.427 -16.868 -6.584 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.396 -16.500 -8.765 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.889 -17.415 -8.820 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.455 -18.663 -8.692 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.883 -19.370 -7.963 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.630 -17.858 -6.633 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.538 -19.229 -6.027 1.00 0.00 H new ATOM 651 N GLY A 47 4.168 -14.437 -7.306 1.00 0.00 N ATOM 652 CA GLY A 47 4.115 -12.999 -7.568 1.00 0.00 C ATOM 653 C GLY A 47 4.051 -12.131 -6.309 1.00 0.00 C ATOM 654 O GLY A 47 4.400 -10.953 -6.363 1.00 0.00 O ATOM 0 H GLY A 47 5.072 -14.845 -7.546 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.994 -12.714 -8.147 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.243 -12.786 -8.187 1.00 0.00 H new ATOM 658 N LEU A 48 3.633 -12.696 -5.180 1.00 0.00 N ATOM 659 CA LEU A 48 3.559 -12.061 -3.881 1.00 0.00 C ATOM 660 C LEU A 48 4.983 -11.689 -3.457 1.00 0.00 C ATOM 661 O LEU A 48 5.888 -12.519 -3.591 1.00 0.00 O ATOM 662 CB LEU A 48 2.909 -13.073 -2.913 1.00 0.00 C ATOM 663 CG LEU A 48 2.014 -12.396 -1.869 1.00 0.00 C ATOM 664 CD1 LEU A 48 0.671 -12.080 -2.518 1.00 0.00 C ATOM 665 CD2 LEU A 48 1.732 -13.309 -0.674 1.00 0.00 C ATOM 0 H LEU A 48 3.320 -13.666 -5.153 1.00 0.00 H new ATOM 0 HA LEU A 48 2.960 -11.150 -3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.318 -13.789 -3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.690 -13.638 -2.405 1.00 0.00 H new ATOM 0 HG LEU A 48 2.531 -11.503 -1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.020 -11.597 -1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.825 -11.413 -3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.207 -13.004 -2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.094 -12.788 0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.229 -14.213 -1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.672 -13.578 -0.192 1.00 0.00 H new ATOM 677 N CYS A 49 5.206 -10.469 -2.965 1.00 0.00 N ATOM 678 CA CYS A 49 6.544 -9.899 -2.764 1.00 0.00 C ATOM 679 C CYS A 49 6.766 -9.416 -1.319 1.00 0.00 C ATOM 680 O CYS A 49 7.758 -8.747 -1.023 1.00 0.00 O ATOM 681 CB CYS A 49 6.737 -8.766 -3.775 1.00 0.00 C ATOM 682 SG CYS A 49 8.506 -8.477 -4.115 1.00 0.00 S ATOM 0 H CYS A 49 4.453 -9.838 -2.690 1.00 0.00 H new ATOM 0 HA CYS A 49 7.291 -10.675 -2.929 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.221 -9.012 -4.703 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.284 -7.852 -3.391 1.00 0.00 H new ATOM 0 HG CYS A 49 8.648 -8.038 -5.330 1.00 0.00 H new ATOM 688 N GLU A 50 5.854 -9.767 -0.420 1.00 0.00 N ATOM 689 CA GLU A 50 5.727 -9.413 0.980 1.00 0.00 C ATOM 690 C GLU A 50 5.454 -7.933 1.246 1.00 0.00 C ATOM 691 O GLU A 50 5.825 -7.051 0.475 1.00 0.00 O ATOM 692 CB GLU A 50 6.886 -9.990 1.803 1.00 0.00 C ATOM 693 CG GLU A 50 6.290 -10.914 2.857 1.00 0.00 C ATOM 694 CD GLU A 50 7.358 -11.563 3.733 1.00 0.00 C ATOM 695 OE1 GLU A 50 8.008 -10.838 4.530 1.00 0.00 O ATOM 696 OE2 GLU A 50 7.483 -12.807 3.699 1.00 0.00 O ATOM 0 H GLU A 50 5.092 -10.385 -0.697 1.00 0.00 H new ATOM 0 HA GLU A 50 4.813 -9.892 1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.576 -10.537 1.161 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.456 -9.189 2.274 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.603 -10.348 3.486 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.705 -11.692 2.366 1.00 0.00 H new ATOM 703 N GLY A 51 4.761 -7.640 2.353 1.00 0.00 N ATOM 704 CA GLY A 51 4.275 -6.296 2.648 1.00 0.00 C ATOM 705 C GLY A 51 3.222 -5.791 1.649 1.00 0.00 C ATOM 706 O GLY A 51 2.852 -4.622 1.711 1.00 0.00 O ATOM 0 H GLY A 51 4.524 -8.330 3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.848 -6.285 3.651 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.119 -5.606 2.654 1.00 0.00 H new ATOM 710 N ASP A 52 2.736 -6.642 0.739 1.00 0.00 N ATOM 711 CA ASP A 52 1.906 -6.279 -0.407 1.00 0.00 C ATOM 712 C ASP A 52 0.601 -5.648 0.083 1.00 0.00 C ATOM 713 O ASP A 52 -0.184 -6.335 0.734 1.00 0.00 O ATOM 714 CB ASP A 52 1.594 -7.512 -1.278 1.00 0.00 C ATOM 715 CG ASP A 52 2.790 -8.405 -1.591 1.00 0.00 C ATOM 716 OD1 ASP A 52 3.178 -9.169 -0.680 1.00 0.00 O ATOM 717 OD2 ASP A 52 3.318 -8.357 -2.723 1.00 0.00 O ATOM 0 H ASP A 52 2.920 -7.644 0.786 1.00 0.00 H new ATOM 0 HA ASP A 52 2.456 -5.561 -1.016 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.836 -8.111 -0.773 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.159 -7.172 -2.218 1.00 0.00 H new ATOM 722 N LEU A 53 0.381 -4.351 -0.175 1.00 0.00 N ATOM 723 CA LEU A 53 -0.803 -3.601 0.262 1.00 0.00 C ATOM 724 C LEU A 53 -2.014 -4.032 -0.550 1.00 0.00 C ATOM 725 O LEU A 53 -2.085 -3.712 -1.732 1.00 0.00 O ATOM 726 CB LEU A 53 -0.564 -2.087 0.100 1.00 0.00 C ATOM 727 CG LEU A 53 -1.482 -1.143 0.904 1.00 0.00 C ATOM 728 CD1 LEU A 53 -2.865 -0.857 0.318 1.00 0.00 C ATOM 729 CD2 LEU A 53 -1.658 -1.558 2.374 1.00 0.00 C ATOM 0 H LEU A 53 1.039 -3.781 -0.707 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.989 -3.812 1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.468 -1.875 0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.665 -1.839 -0.957 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.915 -0.214 0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.408 -0.181 0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.756 -0.395 -0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.419 -1.791 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.316 -0.848 2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.097 -2.555 2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.687 -1.565 2.869 1.00 0.00 H new ATOM 741 N ILE A 54 -2.924 -4.793 0.039 1.00 0.00 N ATOM 742 CA ILE A 54 -4.027 -5.439 -0.655 1.00 0.00 C ATOM 743 C ILE A 54 -5.033 -4.384 -1.155 1.00 0.00 C ATOM 744 O ILE A 54 -5.293 -3.390 -0.478 1.00 0.00 O ATOM 745 CB ILE A 54 -4.604 -6.508 0.303 1.00 0.00 C ATOM 746 CG1 ILE A 54 -3.533 -7.597 0.562 1.00 0.00 C ATOM 747 CG2 ILE A 54 -5.847 -7.178 -0.294 1.00 0.00 C ATOM 748 CD1 ILE A 54 -3.793 -8.532 1.746 1.00 0.00 C ATOM 0 H ILE A 54 -2.915 -4.983 1.041 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.713 -5.954 -1.563 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.884 -6.012 1.232 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.436 -8.203 -0.339 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.574 -7.104 0.719 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.229 -7.924 0.403 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.614 -6.425 -0.476 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.583 -7.662 -1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.977 -9.251 1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.856 -7.948 2.664 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.731 -9.064 1.590 1.00 0.00 H new ATOM 760 N VAL A 55 -5.599 -4.603 -2.349 1.00 0.00 N ATOM 761 CA VAL A 55 -6.495 -3.677 -3.044 1.00 0.00 C ATOM 762 C VAL A 55 -7.778 -4.390 -3.467 1.00 0.00 C ATOM 763 O VAL A 55 -8.873 -3.950 -3.098 1.00 0.00 O ATOM 764 CB VAL A 55 -5.760 -3.050 -4.250 1.00 0.00 C ATOM 765 CG1 VAL A 55 -6.721 -2.256 -5.141 1.00 0.00 C ATOM 766 CG2 VAL A 55 -4.641 -2.120 -3.770 1.00 0.00 C ATOM 0 H VAL A 55 -5.438 -5.462 -2.875 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.783 -2.872 -2.368 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.336 -3.868 -4.833 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.171 -1.829 -5.979 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.499 -2.919 -5.518 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.177 -1.454 -4.560 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.133 -1.687 -4.632 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.067 -1.323 -3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.926 -2.688 -3.175 1.00 0.00 H new ATOM 776 N GLU A 56 -7.655 -5.483 -4.222 1.00 0.00 N ATOM 777 CA GLU A 56 -8.782 -6.280 -4.687 1.00 0.00 C ATOM 778 C GLU A 56 -8.526 -7.747 -4.380 1.00 0.00 C ATOM 779 O GLU A 56 -7.375 -8.191 -4.315 1.00 0.00 O ATOM 780 CB GLU A 56 -9.029 -6.124 -6.202 1.00 0.00 C ATOM 781 CG GLU A 56 -10.006 -5.017 -6.590 1.00 0.00 C ATOM 782 CD GLU A 56 -10.661 -5.318 -7.944 1.00 0.00 C ATOM 783 OE1 GLU A 56 -9.922 -5.567 -8.928 1.00 0.00 O ATOM 784 OE2 GLU A 56 -11.903 -5.381 -8.032 1.00 0.00 O ATOM 0 H GLU A 56 -6.752 -5.842 -4.531 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.669 -5.921 -4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.074 -5.932 -6.692 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.403 -7.070 -6.592 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.774 -4.919 -5.823 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.481 -4.063 -6.639 1.00 0.00 H new ATOM 791 N ILE A 57 -9.618 -8.500 -4.265 1.00 0.00 N ATOM 792 CA ILE A 57 -9.658 -9.950 -4.307 1.00 0.00 C ATOM 793 C ILE A 57 -10.810 -10.292 -5.246 1.00 0.00 C ATOM 794 O ILE A 57 -11.886 -9.724 -5.093 1.00 0.00 O ATOM 795 CB ILE A 57 -9.896 -10.553 -2.916 1.00 0.00 C ATOM 796 CG1 ILE A 57 -8.891 -9.986 -1.900 1.00 0.00 C ATOM 797 CG2 ILE A 57 -9.781 -12.089 -2.997 1.00 0.00 C ATOM 798 CD1 ILE A 57 -9.271 -10.356 -0.479 1.00 0.00 C ATOM 0 H ILE A 57 -10.542 -8.089 -4.134 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.709 -10.361 -4.651 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.898 -10.288 -2.578 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.894 -10.366 -2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.848 -8.901 -1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -9.950 -12.519 -2.010 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.527 -12.474 -3.693 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.785 -12.361 -3.346 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.540 -9.939 0.213 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.258 -9.954 -0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -9.289 -11.441 -0.378 1.00 0.00 H new ATOM 810 N ASN A 58 -10.596 -11.208 -6.188 1.00 0.00 N ATOM 811 CA ASN A 58 -11.597 -11.775 -7.101 1.00 0.00 C ATOM 812 C ASN A 58 -12.578 -10.729 -7.671 1.00 0.00 C ATOM 813 O ASN A 58 -13.789 -10.965 -7.737 1.00 0.00 O ATOM 814 CB ASN A 58 -12.337 -12.948 -6.429 1.00 0.00 C ATOM 815 CG ASN A 58 -11.459 -14.165 -6.178 1.00 0.00 C ATOM 816 OD1 ASN A 58 -10.476 -14.407 -6.881 1.00 0.00 O ATOM 817 ND2 ASN A 58 -11.794 -14.954 -5.174 1.00 0.00 N ATOM 0 H ASN A 58 -9.668 -11.599 -6.347 1.00 0.00 H new ATOM 0 HA ASN A 58 -11.052 -12.155 -7.965 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.751 -12.608 -5.480 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.178 -13.242 -7.057 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.235 -15.782 -4.968 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.611 -14.735 -4.604 1.00 0.00 H new ATOM 824 N GLN A 59 -12.073 -9.569 -8.100 1.00 0.00 N ATOM 825 CA GLN A 59 -12.871 -8.451 -8.609 1.00 0.00 C ATOM 826 C GLN A 59 -13.893 -7.926 -7.577 1.00 0.00 C ATOM 827 O GLN A 59 -15.054 -7.663 -7.906 1.00 0.00 O ATOM 828 CB GLN A 59 -13.483 -8.777 -9.988 1.00 0.00 C ATOM 829 CG GLN A 59 -12.433 -9.223 -11.021 1.00 0.00 C ATOM 830 CD GLN A 59 -12.984 -9.360 -12.440 1.00 0.00 C ATOM 831 OE1 GLN A 59 -14.132 -9.043 -12.731 1.00 0.00 O ATOM 832 NE2 GLN A 59 -12.145 -9.776 -13.376 1.00 0.00 N ATOM 0 H GLN A 59 -11.071 -9.377 -8.103 1.00 0.00 H new ATOM 0 HA GLN A 59 -12.193 -7.613 -8.771 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -14.228 -9.564 -9.872 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -14.005 -7.897 -10.365 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.614 -8.504 -11.027 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -12.014 -10.180 -10.710 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.191 -10.038 -13.126 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.452 -9.834 -14.347 1.00 0.00 H new ATOM 841 N GLN A 60 -13.490 -7.796 -6.311 1.00 0.00 N ATOM 842 CA GLN A 60 -14.111 -6.973 -5.289 1.00 0.00 C ATOM 843 C GLN A 60 -13.010 -6.112 -4.675 1.00 0.00 C ATOM 844 O GLN A 60 -11.933 -6.623 -4.357 1.00 0.00 O ATOM 845 CB GLN A 60 -14.792 -7.860 -4.233 1.00 0.00 C ATOM 846 CG GLN A 60 -15.029 -7.085 -2.929 1.00 0.00 C ATOM 847 CD GLN A 60 -16.062 -7.732 -2.023 1.00 0.00 C ATOM 848 OE1 GLN A 60 -17.028 -7.085 -1.621 1.00 0.00 O ATOM 849 NE2 GLN A 60 -15.875 -8.993 -1.687 1.00 0.00 N ATOM 0 H GLN A 60 -12.673 -8.295 -5.959 1.00 0.00 H new ATOM 0 HA GLN A 60 -14.888 -6.336 -5.712 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -15.743 -8.226 -4.620 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -14.172 -8.734 -4.033 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -14.086 -6.999 -2.389 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -15.351 -6.072 -3.170 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.063 -9.499 -2.039 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.543 -9.462 -1.075 1.00 0.00 H new ATOM 858 N ASN A 61 -13.301 -4.826 -4.462 1.00 0.00 N ATOM 859 CA ASN A 61 -12.413 -3.880 -3.802 1.00 0.00 C ATOM 860 C ASN A 61 -12.485 -4.077 -2.288 1.00 0.00 C ATOM 861 O ASN A 61 -13.530 -3.909 -1.664 1.00 0.00 O ATOM 862 CB ASN A 61 -12.764 -2.436 -4.209 1.00 0.00 C ATOM 863 CG ASN A 61 -11.600 -1.655 -4.818 1.00 0.00 C ATOM 864 OD1 ASN A 61 -11.780 -0.960 -5.812 1.00 0.00 O ATOM 865 ND2 ASN A 61 -10.381 -1.742 -4.305 1.00 0.00 N ATOM 0 H ASN A 61 -14.185 -4.408 -4.753 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.386 -4.064 -4.119 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.584 -2.462 -4.927 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.126 -1.901 -3.331 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -9.609 -1.235 -4.737 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.215 -2.316 -3.478 1.00 0.00 H new ATOM 872 N VAL A 62 -11.350 -4.387 -1.680 1.00 0.00 N ATOM 873 CA VAL A 62 -11.132 -4.652 -0.257 1.00 0.00 C ATOM 874 C VAL A 62 -10.189 -3.546 0.295 1.00 0.00 C ATOM 875 O VAL A 62 -9.580 -3.707 1.354 1.00 0.00 O ATOM 876 CB VAL A 62 -10.554 -6.084 -0.157 1.00 0.00 C ATOM 877 CG1 VAL A 62 -11.372 -7.160 -0.900 1.00 0.00 C ATOM 878 CG2 VAL A 62 -9.142 -6.220 -0.719 1.00 0.00 C ATOM 0 H VAL A 62 -10.482 -4.468 -2.210 1.00 0.00 H new ATOM 0 HA VAL A 62 -12.039 -4.616 0.346 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.579 -6.247 0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.893 -8.131 -0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -12.381 -7.198 -0.490 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -11.420 -6.913 -1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.806 -7.252 -0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.142 -5.945 -1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.468 -5.561 -0.172 1.00 0.00 H new ATOM 888 N GLN A 63 -10.015 -2.414 -0.408 1.00 0.00 N ATOM 889 CA GLN A 63 -9.210 -1.304 0.099 1.00 0.00 C ATOM 890 C GLN A 63 -9.784 -0.756 1.412 1.00 0.00 C ATOM 891 O GLN A 63 -9.009 -0.462 2.324 1.00 0.00 O ATOM 892 CB GLN A 63 -9.075 -0.171 -0.941 1.00 0.00 C ATOM 893 CG GLN A 63 -7.723 -0.145 -1.680 1.00 0.00 C ATOM 894 CD GLN A 63 -7.087 1.252 -1.683 1.00 0.00 C ATOM 895 OE1 GLN A 63 -7.552 2.185 -2.328 1.00 0.00 O ATOM 896 NE2 GLN A 63 -6.020 1.469 -0.933 1.00 0.00 N ATOM 0 H GLN A 63 -10.423 -2.249 -1.328 1.00 0.00 H new ATOM 0 HA GLN A 63 -8.213 -1.699 0.295 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.875 -0.270 -1.675 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.220 0.786 -0.439 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.040 -0.852 -1.208 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.867 -0.478 -2.708 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.616 0.707 -0.388 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.601 2.398 -0.899 1.00 0.00 H new ATOM 905 N ASN A 64 -11.106 -0.596 1.533 1.00 0.00 N ATOM 906 CA ASN A 64 -11.698 -0.148 2.784 1.00 0.00 C ATOM 907 C ASN A 64 -11.707 -1.265 3.824 1.00 0.00 C ATOM 908 O ASN A 64 -11.724 -0.971 5.017 1.00 0.00 O ATOM 909 CB ASN A 64 -13.120 0.367 2.556 1.00 0.00 C ATOM 910 CG ASN A 64 -13.120 1.827 2.132 1.00 0.00 C ATOM 911 OD1 ASN A 64 -12.435 2.236 1.200 1.00 0.00 O ATOM 912 ND2 ASN A 64 -13.881 2.640 2.831 1.00 0.00 N ATOM 0 H ASN A 64 -11.776 -0.770 0.784 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.084 0.668 3.164 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -13.608 -0.236 1.790 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -13.701 0.252 3.471 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.910 3.634 2.603 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -14.442 2.277 3.602 1.00 0.00 H new ATOM 919 N LEU A 65 -11.706 -2.525 3.378 1.00 0.00 N ATOM 920 CA LEU A 65 -12.056 -3.701 4.149 1.00 0.00 C ATOM 921 C LEU A 65 -11.164 -3.899 5.362 1.00 0.00 C ATOM 922 O LEU A 65 -9.937 -3.737 5.306 1.00 0.00 O ATOM 923 CB LEU A 65 -12.030 -4.926 3.220 1.00 0.00 C ATOM 924 CG LEU A 65 -13.371 -5.157 2.517 1.00 0.00 C ATOM 925 CD1 LEU A 65 -14.089 -3.955 1.921 1.00 0.00 C ATOM 926 CD2 LEU A 65 -13.492 -6.420 1.672 1.00 0.00 C ATOM 0 H LEU A 65 -11.446 -2.754 2.419 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.060 -3.564 4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.249 -4.794 2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.770 -5.812 3.799 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.964 -5.362 3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -15.021 -4.280 1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -14.306 -3.234 2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -13.454 -3.489 1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -14.487 -6.467 1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.743 -6.402 0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -13.333 -7.296 2.302 1.00 0.00 H new ATOM 938 N SER A 66 -11.816 -4.283 6.455 1.00 0.00 N ATOM 939 CA SER A 66 -11.195 -4.708 7.696 1.00 0.00 C ATOM 940 C SER A 66 -10.387 -5.984 7.450 1.00 0.00 C ATOM 941 O SER A 66 -10.589 -6.684 6.452 1.00 0.00 O ATOM 942 CB SER A 66 -12.288 -4.954 8.747 1.00 0.00 C ATOM 943 OG SER A 66 -13.201 -3.877 8.782 1.00 0.00 O ATOM 0 H SER A 66 -12.835 -4.306 6.497 1.00 0.00 H new ATOM 0 HA SER A 66 -10.520 -3.934 8.062 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.818 -5.879 8.518 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.832 -5.083 9.729 1.00 0.00 H new ATOM 0 HG SER A 66 -13.890 -4.054 9.456 1.00 0.00 H new ATOM 949 N HIS A 67 -9.523 -6.328 8.403 1.00 0.00 N ATOM 950 CA HIS A 67 -8.777 -7.574 8.388 1.00 0.00 C ATOM 951 C HIS A 67 -9.713 -8.757 8.182 1.00 0.00 C ATOM 952 O HIS A 67 -9.523 -9.531 7.248 1.00 0.00 O ATOM 953 CB HIS A 67 -7.962 -7.689 9.677 1.00 0.00 C ATOM 954 CG HIS A 67 -7.167 -8.955 9.774 1.00 0.00 C ATOM 955 ND1 HIS A 67 -5.883 -9.098 9.312 1.00 0.00 N ATOM 956 CD2 HIS A 67 -7.570 -10.139 10.336 1.00 0.00 C ATOM 957 CE1 HIS A 67 -5.492 -10.344 9.612 1.00 0.00 C ATOM 958 NE2 HIS A 67 -6.474 -11.010 10.250 1.00 0.00 N ATOM 0 H HIS A 67 -9.323 -5.741 9.213 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.081 -7.581 7.549 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -7.284 -6.838 9.745 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -8.637 -7.628 10.530 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.330 -8.389 8.831 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.539 -10.357 10.760 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.523 -10.758 9.375 1.00 0.00 H new ATOM 966 N THR A 68 -10.746 -8.873 9.012 1.00 0.00 N ATOM 967 CA THR A 68 -11.630 -10.014 8.989 1.00 0.00 C ATOM 968 C THR A 68 -12.354 -10.113 7.646 1.00 0.00 C ATOM 969 O THR A 68 -12.554 -11.222 7.172 1.00 0.00 O ATOM 970 CB THR A 68 -12.616 -9.928 10.159 1.00 0.00 C ATOM 971 OG1 THR A 68 -11.963 -9.593 11.369 1.00 0.00 O ATOM 972 CG2 THR A 68 -13.255 -11.287 10.387 1.00 0.00 C ATOM 0 H THR A 68 -10.986 -8.175 9.715 1.00 0.00 H new ATOM 0 HA THR A 68 -11.042 -10.925 9.104 1.00 0.00 H new ATOM 0 HB THR A 68 -13.349 -9.163 9.900 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.621 -9.545 12.093 1.00 0.00 H new ATOM 0 HG21 THR A 68 -13.956 -11.224 11.219 1.00 0.00 H new ATOM 0 HG22 THR A 68 -13.787 -11.594 9.487 1.00 0.00 H new ATOM 0 HG23 THR A 68 -12.481 -12.019 10.619 1.00 0.00 H new ATOM 980 N GLU A 69 -12.694 -8.991 7.003 1.00 0.00 N ATOM 981 CA GLU A 69 -13.408 -8.982 5.730 1.00 0.00 C ATOM 982 C GLU A 69 -12.534 -9.660 4.668 1.00 0.00 C ATOM 983 O GLU A 69 -12.993 -10.550 3.955 1.00 0.00 O ATOM 984 CB GLU A 69 -13.776 -7.533 5.347 1.00 0.00 C ATOM 985 CG GLU A 69 -14.607 -6.800 6.415 1.00 0.00 C ATOM 986 CD GLU A 69 -15.997 -6.383 5.947 1.00 0.00 C ATOM 987 OE1 GLU A 69 -16.724 -7.194 5.333 1.00 0.00 O ATOM 988 OE2 GLU A 69 -16.411 -5.240 6.258 1.00 0.00 O ATOM 0 H GLU A 69 -12.478 -8.059 7.357 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.341 -9.540 5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.860 -6.972 5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.334 -7.545 4.411 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.708 -7.446 7.287 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.063 -5.912 6.737 1.00 0.00 H new ATOM 995 N VAL A 70 -11.253 -9.282 4.613 1.00 0.00 N ATOM 996 CA VAL A 70 -10.256 -9.858 3.721 1.00 0.00 C ATOM 997 C VAL A 70 -10.054 -11.345 4.039 1.00 0.00 C ATOM 998 O VAL A 70 -10.001 -12.170 3.124 1.00 0.00 O ATOM 999 CB VAL A 70 -8.968 -9.008 3.843 1.00 0.00 C ATOM 1000 CG1 VAL A 70 -7.730 -9.645 3.195 1.00 0.00 C ATOM 1001 CG2 VAL A 70 -9.202 -7.618 3.226 1.00 0.00 C ATOM 0 H VAL A 70 -10.875 -8.544 5.208 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.579 -9.829 2.680 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.757 -8.936 4.910 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.872 -8.986 3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.525 -10.605 3.668 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.913 -9.796 2.131 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.293 -7.023 3.314 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.464 -7.727 2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.015 -7.118 3.753 1.00 0.00 H new ATOM 1011 N VAL A 71 -9.948 -11.711 5.320 1.00 0.00 N ATOM 1012 CA VAL A 71 -9.805 -13.103 5.737 1.00 0.00 C ATOM 1013 C VAL A 71 -11.000 -13.915 5.258 1.00 0.00 C ATOM 1014 O VAL A 71 -10.810 -15.041 4.800 1.00 0.00 O ATOM 1015 CB VAL A 71 -9.655 -13.185 7.273 1.00 0.00 C ATOM 1016 CG1 VAL A 71 -9.715 -14.617 7.832 1.00 0.00 C ATOM 1017 CG2 VAL A 71 -8.319 -12.588 7.684 1.00 0.00 C ATOM 0 H VAL A 71 -9.959 -11.048 6.095 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.906 -13.523 5.287 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.501 -12.633 7.683 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.602 -14.590 8.916 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.675 -15.067 7.578 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.910 -15.211 7.398 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.213 -12.646 8.767 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.511 -13.145 7.210 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.274 -11.545 7.370 1.00 0.00 H new ATOM 1027 N ASP A 72 -12.200 -13.361 5.396 1.00 0.00 N ATOM 1028 CA ASP A 72 -13.458 -14.063 5.143 1.00 0.00 C ATOM 1029 C ASP A 72 -13.600 -14.384 3.666 1.00 0.00 C ATOM 1030 O ASP A 72 -13.915 -15.519 3.308 1.00 0.00 O ATOM 1031 CB ASP A 72 -14.688 -13.269 5.621 1.00 0.00 C ATOM 1032 CG ASP A 72 -15.477 -14.061 6.657 1.00 0.00 C ATOM 1033 OD1 ASP A 72 -15.715 -15.280 6.462 1.00 0.00 O ATOM 1034 OD2 ASP A 72 -15.844 -13.497 7.710 1.00 0.00 O ATOM 0 H ASP A 72 -12.330 -12.394 5.692 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.420 -14.987 5.720 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.369 -12.319 6.049 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -15.328 -13.036 4.770 1.00 0.00 H new ATOM 1039 N ILE A 73 -13.291 -13.410 2.809 1.00 0.00 N ATOM 1040 CA ILE A 73 -13.266 -13.599 1.366 1.00 0.00 C ATOM 1041 C ILE A 73 -12.303 -14.744 1.054 1.00 0.00 C ATOM 1042 O ILE A 73 -12.667 -15.717 0.395 1.00 0.00 O ATOM 1043 CB ILE A 73 -12.882 -12.266 0.692 1.00 0.00 C ATOM 1044 CG1 ILE A 73 -14.011 -11.230 0.888 1.00 0.00 C ATOM 1045 CG2 ILE A 73 -12.611 -12.455 -0.805 1.00 0.00 C ATOM 1046 CD1 ILE A 73 -13.503 -9.793 0.774 1.00 0.00 C ATOM 0 H ILE A 73 -13.050 -12.463 3.103 1.00 0.00 H new ATOM 0 HA ILE A 73 -14.243 -13.877 0.969 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.967 -11.905 1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -14.789 -11.398 0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -14.469 -11.375 1.866 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.343 -11.497 -1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.791 -13.160 -0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -13.506 -12.843 -1.291 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -14.333 -9.101 0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -12.744 -9.614 1.536 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.069 -9.638 -0.214 1.00 0.00 H new ATOM 1058 N LEU A 74 -11.078 -14.677 1.583 1.00 0.00 N ATOM 1059 CA LEU A 74 -10.062 -15.694 1.336 1.00 0.00 C ATOM 1060 C LEU A 74 -10.405 -17.040 1.983 1.00 0.00 C ATOM 1061 O LEU A 74 -9.752 -18.031 1.661 1.00 0.00 O ATOM 1062 CB LEU A 74 -8.688 -15.195 1.802 1.00 0.00 C ATOM 1063 CG LEU A 74 -8.201 -13.959 1.027 1.00 0.00 C ATOM 1064 CD1 LEU A 74 -7.045 -13.293 1.770 1.00 0.00 C ATOM 1065 CD2 LEU A 74 -7.752 -14.302 -0.399 1.00 0.00 C ATOM 0 H LEU A 74 -10.768 -13.919 2.191 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.032 -15.867 0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -8.736 -14.955 2.864 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -7.959 -15.998 1.689 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.048 -13.276 0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.709 -12.419 1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.379 -12.984 2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.221 -14.000 1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.418 -13.395 -0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.932 -15.019 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.587 -14.736 -0.949 1.00 0.00 H new ATOM 1077 N LYS A 75 -11.377 -17.123 2.897 1.00 0.00 N ATOM 1078 CA LYS A 75 -11.915 -18.385 3.412 1.00 0.00 C ATOM 1079 C LYS A 75 -12.981 -18.939 2.472 1.00 0.00 C ATOM 1080 O LYS A 75 -13.102 -20.158 2.372 1.00 0.00 O ATOM 1081 CB LYS A 75 -12.567 -18.182 4.786 1.00 0.00 C ATOM 1082 CG LYS A 75 -11.605 -18.067 5.964 1.00 0.00 C ATOM 1083 CD LYS A 75 -12.274 -17.486 7.221 1.00 0.00 C ATOM 1084 CE LYS A 75 -13.536 -18.226 7.690 1.00 0.00 C ATOM 1085 NZ LYS A 75 -14.772 -17.836 6.968 1.00 0.00 N ATOM 0 H LYS A 75 -11.819 -16.300 3.307 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.080 -19.081 3.492 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.176 -17.279 4.749 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.244 -19.016 4.973 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.200 -19.052 6.195 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.763 -17.435 5.680 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.548 -17.488 8.034 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.533 -16.445 7.027 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.381 -19.298 7.570 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.677 -18.042 8.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.596 -17.990 7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.718 -16.831 6.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.869 -18.413 6.109 1.00 0.00 H new ATOM 1099 N ASP A 76 -13.761 -18.086 1.808 1.00 0.00 N ATOM 1100 CA ASP A 76 -14.778 -18.524 0.851 1.00 0.00 C ATOM 1101 C ASP A 76 -14.093 -19.036 -0.422 1.00 0.00 C ATOM 1102 O ASP A 76 -14.510 -20.045 -0.987 1.00 0.00 O ATOM 1103 CB ASP A 76 -15.748 -17.367 0.554 1.00 0.00 C ATOM 1104 CG ASP A 76 -17.090 -17.825 -0.029 1.00 0.00 C ATOM 1105 OD1 ASP A 76 -17.143 -18.785 -0.824 1.00 0.00 O ATOM 1106 OD2 ASP A 76 -18.125 -17.205 0.305 1.00 0.00 O ATOM 0 H ASP A 76 -13.706 -17.073 1.918 1.00 0.00 H new ATOM 0 HA ASP A 76 -15.361 -19.343 1.272 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -15.932 -16.813 1.474 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -15.274 -16.677 -0.145 1.00 0.00 H new ATOM 1111 N CYS A 77 -12.978 -18.402 -0.817 1.00 0.00 N ATOM 1112 CA CYS A 77 -12.203 -18.739 -2.009 1.00 0.00 C ATOM 1113 C CYS A 77 -11.926 -20.249 -2.115 1.00 0.00 C ATOM 1114 O CYS A 77 -11.558 -20.884 -1.122 1.00 0.00 O ATOM 1115 CB CYS A 77 -10.868 -18.001 -2.005 1.00 0.00 C ATOM 1116 SG CYS A 77 -11.099 -16.217 -2.231 1.00 0.00 S ATOM 0 H CYS A 77 -12.584 -17.618 -0.297 1.00 0.00 H new ATOM 0 HA CYS A 77 -12.803 -18.434 -2.866 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.351 -18.186 -1.064 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.232 -18.391 -2.800 1.00 0.00 H new ATOM 0 HG CYS A 77 -11.762 -15.734 -1.222 1.00 0.00 H new ATOM 1122 N PRO A 78 -12.054 -20.819 -3.319 1.00 0.00 N ATOM 1123 CA PRO A 78 -11.986 -22.251 -3.564 1.00 0.00 C ATOM 1124 C PRO A 78 -10.594 -22.808 -3.292 1.00 0.00 C ATOM 1125 O PRO A 78 -9.580 -22.321 -3.796 1.00 0.00 O ATOM 1126 CB PRO A 78 -12.435 -22.437 -5.015 1.00 0.00 C ATOM 1127 CG PRO A 78 -12.270 -21.064 -5.673 1.00 0.00 C ATOM 1128 CD PRO A 78 -12.316 -20.075 -4.533 1.00 0.00 C ATOM 0 HA PRO A 78 -12.631 -22.811 -2.887 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.829 -23.190 -5.520 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.470 -22.775 -5.065 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -11.327 -20.997 -6.215 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.066 -20.873 -6.393 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -11.573 -19.290 -4.673 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.289 -19.587 -4.484 1.00 0.00 H new ATOM 1136 N ILE A 79 -10.555 -23.849 -2.466 1.00 0.00 N ATOM 1137 CA ILE A 79 -9.356 -24.623 -2.208 1.00 0.00 C ATOM 1138 C ILE A 79 -8.988 -25.352 -3.497 1.00 0.00 C ATOM 1139 O ILE A 79 -9.845 -25.971 -4.127 1.00 0.00 O ATOM 1140 CB ILE A 79 -9.608 -25.571 -1.022 1.00 0.00 C ATOM 1141 CG1 ILE A 79 -9.639 -24.741 0.275 1.00 0.00 C ATOM 1142 CG2 ILE A 79 -8.479 -26.606 -0.931 1.00 0.00 C ATOM 1143 CD1 ILE A 79 -9.968 -25.516 1.554 1.00 0.00 C ATOM 0 H ILE A 79 -11.371 -24.180 -1.951 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.513 -23.993 -1.924 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.557 -26.089 -1.163 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.667 -24.263 0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.373 -23.944 0.157 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.664 -27.273 -0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.442 -27.186 -1.853 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.527 -26.095 -0.786 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.962 -24.834 2.404 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -10.954 -25.971 1.460 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.222 -26.295 1.709 1.00 0.00 H new ATOM 1155 N GLY A 80 -7.709 -25.323 -3.859 1.00 0.00 N ATOM 1156 CA GLY A 80 -7.170 -26.024 -5.010 1.00 0.00 C ATOM 1157 C GLY A 80 -7.479 -25.311 -6.321 1.00 0.00 C ATOM 1158 O GLY A 80 -7.269 -25.896 -7.383 1.00 0.00 O ATOM 0 H GLY A 80 -7.004 -24.796 -3.344 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.090 -26.123 -4.899 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.581 -27.033 -5.043 1.00 0.00 H new ATOM 1162 N SER A 81 -7.977 -24.075 -6.272 1.00 0.00 N ATOM 1163 CA SER A 81 -8.139 -23.191 -7.410 1.00 0.00 C ATOM 1164 C SER A 81 -7.202 -22.004 -7.238 1.00 0.00 C ATOM 1165 O SER A 81 -6.800 -21.671 -6.119 1.00 0.00 O ATOM 1166 CB SER A 81 -9.582 -22.692 -7.448 1.00 0.00 C ATOM 1167 OG SER A 81 -10.456 -23.680 -7.957 1.00 0.00 O ATOM 0 H SER A 81 -8.289 -23.652 -5.398 1.00 0.00 H new ATOM 0 HA SER A 81 -7.908 -23.718 -8.336 1.00 0.00 H new ATOM 0 HB2 SER A 81 -9.897 -22.408 -6.444 1.00 0.00 H new ATOM 0 HB3 SER A 81 -9.643 -21.797 -8.067 1.00 0.00 H new ATOM 0 HG SER A 81 -11.372 -23.332 -7.968 1.00 0.00 H new ATOM 1173 N GLU A 82 -6.907 -21.348 -8.357 1.00 0.00 N ATOM 1174 CA GLU A 82 -6.348 -20.010 -8.362 1.00 0.00 C ATOM 1175 C GLU A 82 -7.370 -19.053 -7.729 1.00 0.00 C ATOM 1176 O GLU A 82 -8.584 -19.243 -7.852 1.00 0.00 O ATOM 1177 CB GLU A 82 -6.084 -19.584 -9.814 1.00 0.00 C ATOM 1178 CG GLU A 82 -4.828 -20.167 -10.483 1.00 0.00 C ATOM 1179 CD GLU A 82 -3.515 -19.463 -10.161 1.00 0.00 C ATOM 1180 OE1 GLU A 82 -3.239 -19.174 -8.978 1.00 0.00 O ATOM 1181 OE2 GLU A 82 -2.711 -19.267 -11.106 1.00 0.00 O ATOM 0 H GLU A 82 -7.052 -21.737 -9.289 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.415 -19.986 -7.799 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.950 -19.862 -10.414 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.012 -18.497 -9.843 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.738 -21.214 -10.192 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.973 -20.148 -11.563 1.00 0.00 H new ATOM 1188 N THR A 83 -6.876 -17.993 -7.102 1.00 0.00 N ATOM 1189 CA THR A 83 -7.607 -16.860 -6.553 1.00 0.00 C ATOM 1190 C THR A 83 -6.892 -15.599 -7.057 1.00 0.00 C ATOM 1191 O THR A 83 -5.667 -15.615 -7.209 1.00 0.00 O ATOM 1192 CB THR A 83 -7.586 -16.983 -5.021 1.00 0.00 C ATOM 1193 OG1 THR A 83 -8.202 -18.194 -4.622 1.00 0.00 O ATOM 1194 CG2 THR A 83 -8.317 -15.829 -4.335 1.00 0.00 C ATOM 0 H THR A 83 -5.872 -17.897 -6.953 1.00 0.00 H new ATOM 0 HA THR A 83 -8.651 -16.821 -6.863 1.00 0.00 H new ATOM 0 HB THR A 83 -6.539 -16.960 -4.720 1.00 0.00 H new ATOM 0 HG1 THR A 83 -7.615 -18.669 -3.997 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.274 -15.962 -3.254 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.841 -14.886 -4.604 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.358 -15.815 -4.657 1.00 0.00 H new ATOM 1202 N SER A 84 -7.635 -14.521 -7.311 1.00 0.00 N ATOM 1203 CA SER A 84 -7.174 -13.337 -8.012 1.00 0.00 C ATOM 1204 C SER A 84 -6.950 -12.281 -6.952 1.00 0.00 C ATOM 1205 O SER A 84 -7.902 -11.984 -6.226 1.00 0.00 O ATOM 1206 CB SER A 84 -8.248 -12.817 -8.991 1.00 0.00 C ATOM 1207 OG SER A 84 -9.193 -13.803 -9.385 1.00 0.00 O ATOM 0 H SER A 84 -8.610 -14.453 -7.020 1.00 0.00 H new ATOM 0 HA SER A 84 -6.274 -13.565 -8.583 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.778 -11.985 -8.526 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.755 -12.424 -9.880 1.00 0.00 H new ATOM 0 HG SER A 84 -9.736 -14.063 -8.612 1.00 0.00 H new ATOM 1213 N LEU A 85 -5.751 -11.716 -6.831 1.00 0.00 N ATOM 1214 CA LEU A 85 -5.526 -10.590 -5.935 1.00 0.00 C ATOM 1215 C LEU A 85 -4.949 -9.422 -6.728 1.00 0.00 C ATOM 1216 O LEU A 85 -4.309 -9.635 -7.757 1.00 0.00 O ATOM 1217 CB LEU A 85 -4.557 -10.976 -4.809 1.00 0.00 C ATOM 1218 CG LEU A 85 -5.218 -11.593 -3.566 1.00 0.00 C ATOM 1219 CD1 LEU A 85 -5.800 -12.986 -3.793 1.00 0.00 C ATOM 1220 CD2 LEU A 85 -4.174 -11.686 -2.448 1.00 0.00 C ATOM 0 H LEU A 85 -4.923 -12.021 -7.342 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.478 -10.302 -5.488 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.829 -11.684 -5.204 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.005 -10.087 -4.505 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.051 -10.940 -3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.247 -13.349 -2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.563 -12.939 -4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.006 -13.666 -4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.630 -12.122 -1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.345 -12.313 -2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.803 -10.688 -2.213 1.00 0.00 H new ATOM 1232 N ILE A 86 -5.110 -8.202 -6.213 1.00 0.00 N ATOM 1233 CA ILE A 86 -4.424 -6.996 -6.677 1.00 0.00 C ATOM 1234 C ILE A 86 -3.829 -6.334 -5.441 1.00 0.00 C ATOM 1235 O ILE A 86 -4.490 -6.298 -4.393 1.00 0.00 O ATOM 1236 CB ILE A 86 -5.379 -6.038 -7.416 1.00 0.00 C ATOM 1237 CG1 ILE A 86 -6.149 -6.822 -8.500 1.00 0.00 C ATOM 1238 CG2 ILE A 86 -4.632 -4.842 -8.021 1.00 0.00 C ATOM 1239 CD1 ILE A 86 -6.791 -5.986 -9.601 1.00 0.00 C ATOM 0 H ILE A 86 -5.744 -8.021 -5.434 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.649 -7.254 -7.398 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.088 -5.630 -6.696 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.463 -7.531 -8.963 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.930 -7.406 -8.012 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.341 -4.191 -8.533 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.135 -4.284 -7.227 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.888 -5.200 -8.733 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.303 -6.642 -10.304 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.509 -5.295 -9.161 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.020 -5.422 -10.126 1.00 0.00 H new ATOM 1251 N ILE A 87 -2.615 -5.796 -5.561 1.00 0.00 N ATOM 1252 CA ILE A 87 -1.896 -5.132 -4.483 1.00 0.00 C ATOM 1253 C ILE A 87 -1.265 -3.827 -4.999 1.00 0.00 C ATOM 1254 O ILE A 87 -1.024 -3.680 -6.200 1.00 0.00 O ATOM 1255 CB ILE A 87 -0.886 -6.115 -3.837 1.00 0.00 C ATOM 1256 CG1 ILE A 87 0.312 -6.489 -4.743 1.00 0.00 C ATOM 1257 CG2 ILE A 87 -1.574 -7.425 -3.393 1.00 0.00 C ATOM 1258 CD1 ILE A 87 1.479 -5.501 -4.657 1.00 0.00 C ATOM 0 H ILE A 87 -2.093 -5.813 -6.437 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.581 -4.840 -3.687 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.498 -5.567 -2.978 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.667 -7.482 -4.469 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.029 -6.546 -5.777 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.836 -8.090 -2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.350 -7.199 -2.662 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.023 -7.912 -4.259 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.282 -5.827 -5.318 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.140 -4.510 -4.959 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.847 -5.461 -3.632 1.00 0.00 H new ATOM 1270 N HIS A 88 -0.996 -2.858 -4.114 1.00 0.00 N ATOM 1271 CA HIS A 88 -0.625 -1.505 -4.500 1.00 0.00 C ATOM 1272 C HIS A 88 0.893 -1.366 -4.601 1.00 0.00 C ATOM 1273 O HIS A 88 1.568 -0.927 -3.664 1.00 0.00 O ATOM 1274 CB HIS A 88 -1.313 -0.483 -3.573 1.00 0.00 C ATOM 1275 CG HIS A 88 -1.940 0.680 -4.306 1.00 0.00 C ATOM 1276 ND1 HIS A 88 -3.290 0.955 -4.372 1.00 0.00 N ATOM 1277 CD2 HIS A 88 -1.287 1.642 -5.032 1.00 0.00 C ATOM 1278 CE1 HIS A 88 -3.446 2.062 -5.117 1.00 0.00 C ATOM 1279 NE2 HIS A 88 -2.252 2.532 -5.518 1.00 0.00 N ATOM 0 H HIS A 88 -1.032 -3.000 -3.105 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.991 -1.285 -5.503 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -2.083 -0.993 -2.994 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.580 -0.100 -2.863 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.222 1.702 -5.199 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.398 2.511 -5.360 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -2.082 3.373 -6.069 1.00 0.00 H new ATOM 1287 N ARG A 89 1.439 -1.727 -5.758 1.00 0.00 N ATOM 1288 CA ARG A 89 2.776 -1.368 -6.219 1.00 0.00 C ATOM 1289 C ARG A 89 2.630 -0.956 -7.676 1.00 0.00 C ATOM 1290 O ARG A 89 1.725 -1.445 -8.349 1.00 0.00 O ATOM 1291 CB ARG A 89 3.723 -2.578 -6.138 1.00 0.00 C ATOM 1292 CG ARG A 89 4.456 -2.730 -4.802 1.00 0.00 C ATOM 1293 CD ARG A 89 5.354 -3.974 -4.868 1.00 0.00 C ATOM 1294 NE ARG A 89 6.528 -3.854 -3.993 1.00 0.00 N ATOM 1295 CZ ARG A 89 7.690 -4.505 -4.139 1.00 0.00 C ATOM 1296 NH1 ARG A 89 7.824 -5.427 -5.088 1.00 0.00 N ATOM 1297 NH2 ARG A 89 8.709 -4.216 -3.335 1.00 0.00 N ATOM 0 H ARG A 89 0.937 -2.305 -6.432 1.00 0.00 H new ATOM 0 HA ARG A 89 3.191 -0.571 -5.602 1.00 0.00 H new ATOM 0 HB2 ARG A 89 3.148 -3.485 -6.327 1.00 0.00 H new ATOM 0 HB3 ARG A 89 4.462 -2.497 -6.935 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.055 -1.843 -4.597 1.00 0.00 H new ATOM 0 HG3 ARG A 89 3.739 -2.825 -3.987 1.00 0.00 H new ATOM 0 HD2 ARG A 89 4.777 -4.853 -4.581 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.682 -4.130 -5.896 1.00 0.00 H new ATOM 0 HE ARG A 89 6.451 -3.216 -3.201 1.00 0.00 H new ATOM 0 HH11 ARG A 89 7.041 -5.640 -5.706 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.709 -5.921 -5.197 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.603 -3.503 -2.613 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.597 -4.707 -3.440 1.00 0.00 H new ATOM 1311 N GLY A 90 3.537 -0.125 -8.171 1.00 0.00 N ATOM 1312 CA GLY A 90 3.808 -0.021 -9.594 1.00 0.00 C ATOM 1313 C GLY A 90 5.252 -0.449 -9.772 1.00 0.00 C ATOM 1314 O GLY A 90 5.547 -1.646 -9.720 1.00 0.00 O ATOM 0 H GLY A 90 4.105 0.496 -7.595 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.137 -0.661 -10.168 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.656 0.999 -9.948 1.00 0.00 H new ATOM 1318 N SER A 91 6.169 0.515 -9.864 1.00 0.00 N ATOM 1319 CA SER A 91 7.599 0.251 -9.861 1.00 0.00 C ATOM 1320 C SER A 91 8.330 1.411 -9.184 1.00 0.00 C ATOM 1321 O SER A 91 7.878 2.561 -9.190 1.00 0.00 O ATOM 1322 CB SER A 91 8.058 0.025 -11.311 1.00 0.00 C ATOM 1323 OG SER A 91 9.375 -0.487 -11.369 1.00 0.00 O ATOM 0 H SER A 91 5.934 1.504 -9.943 1.00 0.00 H new ATOM 0 HA SER A 91 7.833 -0.648 -9.291 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.376 -0.668 -11.805 1.00 0.00 H new ATOM 0 HB3 SER A 91 8.009 0.966 -11.859 1.00 0.00 H new ATOM 0 HG SER A 91 9.633 -0.620 -12.305 1.00 0.00 H new ATOM 1329 N GLY A 92 9.504 1.136 -8.629 1.00 0.00 N ATOM 1330 CA GLY A 92 10.429 2.146 -8.144 1.00 0.00 C ATOM 1331 C GLY A 92 11.647 1.484 -7.516 1.00 0.00 C ATOM 1332 O GLY A 92 11.620 0.275 -7.260 1.00 0.00 O ATOM 0 H GLY A 92 9.844 0.183 -8.502 1.00 0.00 H new ATOM 0 HA2 GLY A 92 10.740 2.790 -8.967 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.933 2.782 -7.411 1.00 0.00 H new ATOM 1336 N PRO A 93 12.711 2.256 -7.259 1.00 0.00 N ATOM 1337 CA PRO A 93 13.952 1.746 -6.717 1.00 0.00 C ATOM 1338 C PRO A 93 13.750 1.392 -5.244 1.00 0.00 C ATOM 1339 O PRO A 93 13.792 2.268 -4.371 1.00 0.00 O ATOM 1340 CB PRO A 93 14.989 2.843 -6.964 1.00 0.00 C ATOM 1341 CG PRO A 93 14.170 4.131 -6.998 1.00 0.00 C ATOM 1342 CD PRO A 93 12.813 3.679 -7.538 1.00 0.00 C ATOM 0 HA PRO A 93 14.295 0.824 -7.187 1.00 0.00 H new ATOM 0 HB2 PRO A 93 15.738 2.868 -6.173 1.00 0.00 H new ATOM 0 HB3 PRO A 93 15.521 2.684 -7.902 1.00 0.00 H new ATOM 0 HG2 PRO A 93 14.079 4.575 -6.007 1.00 0.00 H new ATOM 0 HG3 PRO A 93 14.629 4.881 -7.642 1.00 0.00 H new ATOM 0 HD2 PRO A 93 12.002 4.227 -7.058 1.00 0.00 H new ATOM 0 HD3 PRO A 93 12.738 3.871 -8.608 1.00 0.00 H new ATOM 1350 N SER A 94 13.519 0.107 -5.001 1.00 0.00 N ATOM 1351 CA SER A 94 13.609 -0.569 -3.724 1.00 0.00 C ATOM 1352 C SER A 94 14.517 -1.782 -3.916 1.00 0.00 C ATOM 1353 O SER A 94 14.626 -2.313 -5.025 1.00 0.00 O ATOM 1354 CB SER A 94 12.217 -1.027 -3.279 1.00 0.00 C ATOM 1355 OG SER A 94 11.331 0.060 -3.099 1.00 0.00 O ATOM 0 H SER A 94 13.245 -0.530 -5.749 1.00 0.00 H new ATOM 0 HA SER A 94 14.010 0.098 -2.961 1.00 0.00 H new ATOM 0 HB2 SER A 94 11.806 -1.710 -4.022 1.00 0.00 H new ATOM 0 HB3 SER A 94 12.300 -1.584 -2.346 1.00 0.00 H new ATOM 0 HG SER A 94 10.454 -0.276 -2.817 1.00 0.00 H new ATOM 1361 N SER A 95 15.105 -2.240 -2.813 1.00 0.00 N ATOM 1362 CA SER A 95 16.124 -3.270 -2.743 1.00 0.00 C ATOM 1363 C SER A 95 17.434 -2.706 -3.291 1.00 0.00 C ATOM 1364 O SER A 95 17.603 -2.517 -4.496 1.00 0.00 O ATOM 1365 CB SER A 95 15.681 -4.574 -3.424 1.00 0.00 C ATOM 1366 OG SER A 95 16.180 -5.676 -2.693 1.00 0.00 O ATOM 0 H SER A 95 14.864 -1.876 -1.891 1.00 0.00 H new ATOM 0 HA SER A 95 16.287 -3.552 -1.703 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.593 -4.620 -3.475 1.00 0.00 H new ATOM 0 HB3 SER A 95 16.050 -4.606 -4.449 1.00 0.00 H new ATOM 0 HG SER A 95 15.897 -6.509 -3.124 1.00 0.00 H new ATOM 1372 N GLY A 96 18.359 -2.405 -2.391 1.00 0.00 N ATOM 1373 CA GLY A 96 19.707 -1.952 -2.667 1.00 0.00 C ATOM 1374 C GLY A 96 20.354 -1.740 -1.321 1.00 0.00 C ATOM 1375 O GLY A 96 19.989 -2.485 -0.383 1.00 0.00 O ATOM 0 H GLY A 96 18.173 -2.476 -1.391 1.00 0.00 H new ATOM 0 HA2 GLY A 96 20.255 -2.690 -3.252 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.698 -1.029 -3.246 1.00 0.00 H new TER 1379 GLY A 96