USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 701 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 76 SER OG : rot 180:sc= 0.613 USER MOD Set 1.2: A 90 THR OG1 : rot -116:sc= 0.0817 USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= -0.011 USER MOD Set 2.2: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 21 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 8 GLN : amide:sc= 0.842 K(o=2.1,f=-6.2!) USER MOD Set 3.2: A 89 THR OG1 : rot -148:sc= 1.24 USER MOD Single : A 1 MET CE :methyl 167:sc= -0.0078 (180deg=-0.238) USER MOD Single : A 1 MET N :NH3+ -179:sc= -0.168 (180deg=-0.168) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00285 USER MOD Single : A 13 SER OG : rot -67:sc= 1.17 USER MOD Single : A 27 THR OG1 : rot 33:sc= 0.976 USER MOD Single : A 30 ASN : amide:sc= -0.0506 X(o=-0.051,f=-0.051) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.062 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0489 USER MOD Single : A 37 TYR OH : rot 126:sc= 0.56 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -130:sc= 0.515 USER MOD Single : A 62 TYR OH : rot -177:sc= 0.641 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 130:sc= -0.0196 USER MOD Single : A 82 ASN : amide:sc= -0.526 X(o=-0.53,f=-0.041) USER MOD Single : A 86 SER OG : rot 77:sc= 0.81 USER MOD Single : A 92 THR OG1 : rot 121:sc= 1.23 USER MOD Single : A 93 GLN : amide:sc= -0.225 K(o=-0.22,f=-1.3) USER MOD Single : A 94 GLN : amide:sc= -0.469 X(o=-0.47,f=0) USER MOD Single : A 95 THR OG1 : rot 44:sc= 0.139 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -25.337 7.846 3.127 1.00 0.00 N ATOM 2 CA MET A 1 -26.470 8.707 2.737 1.00 0.00 C ATOM 3 C MET A 1 -25.958 10.030 2.151 1.00 0.00 C ATOM 4 O MET A 1 -26.544 11.084 2.384 1.00 0.00 O ATOM 5 CB MET A 1 -27.391 8.954 3.945 1.00 0.00 C ATOM 6 CG MET A 1 -28.138 7.698 4.404 1.00 0.00 C ATOM 7 SD MET A 1 -29.249 7.943 5.815 1.00 0.00 S ATOM 8 CE MET A 1 -30.509 8.983 5.035 1.00 0.00 C ATOM 0 H1 MET A 1 -25.698 6.947 3.506 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.742 7.657 2.295 1.00 0.00 H new ATOM 0 H3 MET A 1 -24.771 8.326 3.855 1.00 0.00 H new ATOM 0 HA MET A 1 -27.051 8.200 1.966 1.00 0.00 H new ATOM 0 HB2 MET A 1 -26.796 9.338 4.774 1.00 0.00 H new ATOM 0 HB3 MET A 1 -28.116 9.726 3.688 1.00 0.00 H new ATOM 0 HG2 MET A 1 -28.718 7.312 3.566 1.00 0.00 H new ATOM 0 HG3 MET A 1 -27.407 6.933 4.665 1.00 0.00 H new ATOM 0 HE1 MET A 1 -31.384 9.042 5.682 1.00 0.00 H new ATOM 0 HE2 MET A 1 -30.107 9.984 4.876 1.00 0.00 H new ATOM 0 HE3 MET A 1 -30.795 8.550 4.076 1.00 0.00 H new ATOM 20 N ARG A 2 -24.829 10.013 1.434 1.00 0.00 N ATOM 21 CA ARG A 2 -24.161 11.210 0.923 1.00 0.00 C ATOM 22 C ARG A 2 -23.145 10.844 -0.152 1.00 0.00 C ATOM 23 O ARG A 2 -22.913 11.634 -1.062 1.00 0.00 O ATOM 24 CB ARG A 2 -23.503 12.025 2.058 1.00 0.00 C ATOM 25 CG ARG A 2 -22.721 11.197 3.089 1.00 0.00 C ATOM 26 CD ARG A 2 -22.129 12.080 4.188 1.00 0.00 C ATOM 27 NE ARG A 2 -21.674 11.251 5.315 1.00 0.00 N ATOM 28 CZ ARG A 2 -21.298 11.684 6.520 1.00 0.00 C ATOM 29 NH1 ARG A 2 -21.187 12.978 6.790 1.00 0.00 N ATOM 30 NH2 ARG A 2 -21.001 10.802 7.460 1.00 0.00 N ATOM 0 H ARG A 2 -24.346 9.148 1.189 1.00 0.00 H new ATOM 0 HA ARG A 2 -24.922 11.845 0.470 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -22.827 12.756 1.614 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -24.280 12.585 2.579 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -23.381 10.453 3.535 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -21.920 10.653 2.588 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -21.294 12.657 3.791 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -22.876 12.796 4.532 1.00 0.00 H new ATOM 0 HE ARG A 2 -21.643 10.243 5.160 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -21.391 13.669 6.068 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -20.898 13.282 7.720 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -21.061 9.804 7.260 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -20.712 11.120 8.385 1.00 0.00 H new ATOM 44 N GLY A 3 -22.566 9.647 -0.100 1.00 0.00 N ATOM 45 CA GLY A 3 -21.684 9.158 -1.139 1.00 0.00 C ATOM 46 C GLY A 3 -21.044 7.864 -0.672 1.00 0.00 C ATOM 47 O GLY A 3 -21.750 6.899 -0.354 1.00 0.00 O ATOM 0 H GLY A 3 -22.700 8.992 0.670 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -22.243 8.991 -2.060 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -20.916 9.899 -1.362 1.00 0.00 H new ATOM 51 N SER A 4 -19.717 7.808 -0.678 1.00 0.00 N ATOM 52 CA SER A 4 -18.942 6.682 -0.189 1.00 0.00 C ATOM 53 C SER A 4 -18.888 6.724 1.353 1.00 0.00 C ATOM 54 O SER A 4 -19.691 7.430 1.978 1.00 0.00 O ATOM 55 CB SER A 4 -17.600 6.635 -0.952 1.00 0.00 C ATOM 56 OG SER A 4 -16.475 7.214 -0.303 1.00 0.00 O ATOM 0 H SER A 4 -19.138 8.568 -1.034 1.00 0.00 H new ATOM 0 HA SER A 4 -19.404 5.717 -0.399 1.00 0.00 H new ATOM 0 HB2 SER A 4 -17.368 5.592 -1.169 1.00 0.00 H new ATOM 0 HB3 SER A 4 -17.736 7.137 -1.910 1.00 0.00 H new ATOM 0 HG SER A 4 -15.685 7.125 -0.876 1.00 0.00 H new ATOM 62 N GLU A 5 -17.986 5.960 1.981 1.00 0.00 N ATOM 63 CA GLU A 5 -17.606 6.169 3.370 1.00 0.00 C ATOM 64 C GLU A 5 -16.292 6.947 3.415 1.00 0.00 C ATOM 65 O GLU A 5 -16.337 8.166 3.586 1.00 0.00 O ATOM 66 CB GLU A 5 -17.569 4.849 4.151 1.00 0.00 C ATOM 67 CG GLU A 5 -17.841 5.156 5.629 1.00 0.00 C ATOM 68 CD GLU A 5 -19.276 5.612 5.903 1.00 0.00 C ATOM 69 OE1 GLU A 5 -20.186 5.350 5.087 1.00 0.00 O ATOM 70 OE2 GLU A 5 -19.498 6.288 6.941 1.00 0.00 O ATOM 0 H GLU A 5 -17.503 5.181 1.534 1.00 0.00 H new ATOM 0 HA GLU A 5 -18.362 6.770 3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -18.317 4.157 3.763 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.598 4.367 4.036 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -17.632 4.265 6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -17.152 5.931 5.964 1.00 0.00 H new ATOM 77 N VAL A 6 -15.131 6.307 3.227 1.00 0.00 N ATOM 78 CA VAL A 6 -13.879 7.026 3.009 1.00 0.00 C ATOM 79 C VAL A 6 -13.369 6.601 1.623 1.00 0.00 C ATOM 80 O VAL A 6 -13.348 5.401 1.326 1.00 0.00 O ATOM 81 CB VAL A 6 -12.894 6.719 4.156 1.00 0.00 C ATOM 82 CG1 VAL A 6 -11.510 7.338 3.924 1.00 0.00 C ATOM 83 CG2 VAL A 6 -13.423 7.248 5.501 1.00 0.00 C ATOM 0 H VAL A 6 -15.037 5.291 3.222 1.00 0.00 H new ATOM 0 HA VAL A 6 -14.005 8.109 3.019 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.802 5.633 4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.856 7.091 4.761 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.084 6.942 3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.604 8.421 3.844 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.707 7.017 6.290 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.559 8.328 5.439 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.378 6.775 5.728 1.00 0.00 H new ATOM 93 N PRO A 7 -12.951 7.545 0.764 1.00 0.00 N ATOM 94 CA PRO A 7 -12.451 7.254 -0.574 1.00 0.00 C ATOM 95 C PRO A 7 -10.984 6.817 -0.494 1.00 0.00 C ATOM 96 O PRO A 7 -10.190 7.459 0.192 1.00 0.00 O ATOM 97 CB PRO A 7 -12.640 8.558 -1.352 1.00 0.00 C ATOM 98 CG PRO A 7 -12.528 9.646 -0.283 1.00 0.00 C ATOM 99 CD PRO A 7 -13.098 8.978 0.959 1.00 0.00 C ATOM 0 HA PRO A 7 -12.975 6.435 -1.067 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.879 8.676 -2.123 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -13.608 8.588 -1.852 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.494 9.958 -0.133 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -13.093 10.537 -0.556 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -12.566 9.304 1.853 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -14.146 9.245 1.096 1.00 0.00 H new ATOM 107 N GLN A 8 -10.633 5.735 -1.187 1.00 0.00 N ATOM 108 CA GLN A 8 -9.290 5.168 -1.219 1.00 0.00 C ATOM 109 C GLN A 8 -8.469 5.626 -2.431 1.00 0.00 C ATOM 110 O GLN A 8 -8.997 6.258 -3.351 1.00 0.00 O ATOM 111 CB GLN A 8 -9.395 3.638 -1.124 1.00 0.00 C ATOM 112 CG GLN A 8 -9.894 2.974 -2.417 1.00 0.00 C ATOM 113 CD GLN A 8 -9.119 1.713 -2.749 1.00 0.00 C ATOM 114 OE1 GLN A 8 -7.999 1.785 -3.232 1.00 0.00 O ATOM 115 NE2 GLN A 8 -9.667 0.541 -2.487 1.00 0.00 N ATOM 0 H GLN A 8 -11.298 5.214 -1.759 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.737 5.544 -0.358 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.417 3.230 -0.870 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.070 3.378 -0.308 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.952 2.732 -2.314 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.807 3.680 -3.243 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.603 0.494 -2.084 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.155 -0.318 -2.688 1.00 0.00 H new ATOM 124 N LEU A 9 -7.193 5.219 -2.452 1.00 0.00 N ATOM 125 CA LEU A 9 -6.285 5.308 -3.587 1.00 0.00 C ATOM 126 C LEU A 9 -6.751 4.359 -4.689 1.00 0.00 C ATOM 127 O LEU A 9 -6.152 3.318 -4.941 1.00 0.00 O ATOM 128 CB LEU A 9 -4.835 4.992 -3.163 1.00 0.00 C ATOM 129 CG LEU A 9 -4.135 6.098 -2.357 1.00 0.00 C ATOM 130 CD1 LEU A 9 -2.772 5.577 -1.889 1.00 0.00 C ATOM 131 CD2 LEU A 9 -3.960 7.380 -3.177 1.00 0.00 C ATOM 0 H LEU A 9 -6.751 4.799 -1.634 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.297 6.329 -3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.838 4.078 -2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.247 4.789 -4.058 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.758 6.351 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.264 6.352 -1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.915 4.696 -1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.167 5.311 -2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.461 8.135 -2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.357 7.168 -4.060 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.937 7.750 -3.486 1.00 0.00 H new ATOM 143 N THR A 10 -7.799 4.752 -5.397 1.00 0.00 N ATOM 144 CA THR A 10 -8.339 4.073 -6.562 1.00 0.00 C ATOM 145 C THR A 10 -7.235 3.855 -7.620 1.00 0.00 C ATOM 146 O THR A 10 -7.287 2.894 -8.392 1.00 0.00 O ATOM 147 CB THR A 10 -9.522 4.925 -7.068 1.00 0.00 C ATOM 148 OG1 THR A 10 -10.469 5.140 -6.031 1.00 0.00 O ATOM 149 CG2 THR A 10 -10.272 4.281 -8.232 1.00 0.00 C ATOM 0 H THR A 10 -8.321 5.596 -5.161 1.00 0.00 H new ATOM 0 HA THR A 10 -8.703 3.074 -6.322 1.00 0.00 H new ATOM 0 HB THR A 10 -9.077 5.861 -7.405 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.210 5.683 -6.372 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.091 4.930 -8.540 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.589 4.136 -9.069 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.671 3.317 -7.918 1.00 0.00 H new ATOM 157 N ASP A 11 -6.209 4.711 -7.644 1.00 0.00 N ATOM 158 CA ASP A 11 -5.068 4.644 -8.555 1.00 0.00 C ATOM 159 C ASP A 11 -3.945 3.694 -8.111 1.00 0.00 C ATOM 160 O ASP A 11 -2.924 3.589 -8.794 1.00 0.00 O ATOM 161 CB ASP A 11 -4.517 6.060 -8.705 1.00 0.00 C ATOM 162 CG ASP A 11 -3.539 6.173 -9.863 1.00 0.00 C ATOM 163 OD1 ASP A 11 -3.884 5.778 -11.001 1.00 0.00 O ATOM 164 OD2 ASP A 11 -2.475 6.800 -9.668 1.00 0.00 O ATOM 0 H ASP A 11 -6.151 5.501 -7.002 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.428 4.233 -9.498 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.342 6.755 -8.859 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.020 6.355 -7.781 1.00 0.00 H new ATOM 169 N LEU A 12 -4.097 3.032 -6.960 1.00 0.00 N ATOM 170 CA LEU A 12 -3.061 2.195 -6.344 1.00 0.00 C ATOM 171 C LEU A 12 -2.553 1.145 -7.328 1.00 0.00 C ATOM 172 O LEU A 12 -3.312 0.275 -7.757 1.00 0.00 O ATOM 173 CB LEU A 12 -3.578 1.550 -5.043 1.00 0.00 C ATOM 174 CG LEU A 12 -2.559 0.781 -4.175 1.00 0.00 C ATOM 175 CD1 LEU A 12 -2.280 -0.664 -4.625 1.00 0.00 C ATOM 176 CD2 LEU A 12 -1.258 1.583 -4.022 1.00 0.00 C ATOM 0 H LEU A 12 -4.961 3.063 -6.419 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.217 2.833 -6.081 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.017 2.336 -4.429 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.383 0.863 -5.305 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.035 0.676 -3.200 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.552 -1.120 -3.954 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.206 -1.238 -4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.883 -0.659 -5.640 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.555 1.022 -3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.821 1.758 -5.005 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.474 2.539 -3.546 1.00 0.00 H new ATOM 188 N SER A 13 -1.278 1.243 -7.694 1.00 0.00 N ATOM 189 CA SER A 13 -0.601 0.380 -8.646 1.00 0.00 C ATOM 190 C SER A 13 0.838 0.113 -8.193 1.00 0.00 C ATOM 191 O SER A 13 1.351 0.791 -7.298 1.00 0.00 O ATOM 192 CB SER A 13 -0.707 1.001 -10.053 1.00 0.00 C ATOM 193 OG SER A 13 -0.770 2.427 -10.059 1.00 0.00 O ATOM 0 H SER A 13 -0.663 1.962 -7.314 1.00 0.00 H new ATOM 0 HA SER A 13 -1.081 -0.597 -8.692 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.152 0.684 -10.644 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.596 0.607 -10.546 1.00 0.00 H new ATOM 0 HG SER A 13 -1.614 2.719 -9.654 1.00 0.00 H new ATOM 199 N PHE A 14 1.493 -0.888 -8.782 1.00 0.00 N ATOM 200 CA PHE A 14 2.888 -1.216 -8.573 1.00 0.00 C ATOM 201 C PHE A 14 3.625 -1.052 -9.902 1.00 0.00 C ATOM 202 O PHE A 14 3.030 -1.185 -10.979 1.00 0.00 O ATOM 203 CB PHE A 14 3.007 -2.663 -8.095 1.00 0.00 C ATOM 204 CG PHE A 14 2.132 -3.113 -6.943 1.00 0.00 C ATOM 205 CD1 PHE A 14 1.941 -2.314 -5.800 1.00 0.00 C ATOM 206 CD2 PHE A 14 1.578 -4.403 -6.990 1.00 0.00 C ATOM 207 CE1 PHE A 14 1.194 -2.805 -4.711 1.00 0.00 C ATOM 208 CE2 PHE A 14 0.820 -4.882 -5.914 1.00 0.00 C ATOM 209 CZ PHE A 14 0.597 -4.069 -4.795 1.00 0.00 C ATOM 0 H PHE A 14 1.038 -1.515 -9.446 1.00 0.00 H new ATOM 0 HA PHE A 14 3.321 -0.558 -7.820 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.797 -3.312 -8.945 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.045 -2.835 -7.811 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.368 -1.323 -5.758 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.737 -5.027 -7.857 1.00 0.00 H new ATOM 0 HE1 PHE A 14 1.082 -2.210 -3.817 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.407 -5.879 -5.947 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.038 -4.418 -3.994 1.00 0.00 H new ATOM 219 N VAL A 15 4.921 -0.785 -9.841 1.00 0.00 N ATOM 220 CA VAL A 15 5.814 -0.609 -10.977 1.00 0.00 C ATOM 221 C VAL A 15 7.189 -1.162 -10.582 1.00 0.00 C ATOM 222 O VAL A 15 7.421 -1.425 -9.406 1.00 0.00 O ATOM 223 CB VAL A 15 5.878 0.890 -11.360 1.00 0.00 C ATOM 224 CG1 VAL A 15 4.726 1.298 -12.290 1.00 0.00 C ATOM 225 CG2 VAL A 15 5.892 1.851 -10.156 1.00 0.00 C ATOM 0 H VAL A 15 5.404 -0.680 -8.949 1.00 0.00 H new ATOM 0 HA VAL A 15 5.454 -1.148 -11.853 1.00 0.00 H new ATOM 0 HB VAL A 15 6.833 0.986 -11.877 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.812 2.357 -12.532 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.774 0.711 -13.207 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.774 1.116 -11.792 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.938 2.880 -10.512 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.985 1.711 -9.568 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.763 1.643 -9.535 1.00 0.00 H new ATOM 235 N ASP A 16 8.122 -1.270 -11.529 1.00 0.00 N ATOM 236 CA ASP A 16 9.544 -1.527 -11.315 1.00 0.00 C ATOM 237 C ASP A 16 9.745 -2.743 -10.410 1.00 0.00 C ATOM 238 O ASP A 16 10.448 -2.679 -9.399 1.00 0.00 O ATOM 239 CB ASP A 16 10.262 -0.250 -10.825 1.00 0.00 C ATOM 240 CG ASP A 16 10.445 0.842 -11.883 1.00 0.00 C ATOM 241 OD1 ASP A 16 10.362 0.558 -13.105 1.00 0.00 O ATOM 242 OD2 ASP A 16 10.708 1.999 -11.478 1.00 0.00 O ATOM 0 H ASP A 16 7.892 -1.175 -12.518 1.00 0.00 H new ATOM 0 HA ASP A 16 10.014 -1.785 -12.264 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.699 0.166 -9.990 1.00 0.00 H new ATOM 0 HB3 ASP A 16 11.243 -0.529 -10.440 1.00 0.00 H new ATOM 247 N ILE A 17 9.096 -3.845 -10.793 1.00 0.00 N ATOM 248 CA ILE A 17 8.962 -5.101 -10.070 1.00 0.00 C ATOM 249 C ILE A 17 10.269 -5.908 -10.238 1.00 0.00 C ATOM 250 O ILE A 17 10.283 -6.995 -10.817 1.00 0.00 O ATOM 251 CB ILE A 17 7.712 -5.858 -10.607 1.00 0.00 C ATOM 252 CG1 ILE A 17 6.456 -5.011 -10.946 1.00 0.00 C ATOM 253 CG2 ILE A 17 7.327 -6.987 -9.635 1.00 0.00 C ATOM 254 CD1 ILE A 17 5.736 -4.364 -9.765 1.00 0.00 C ATOM 0 H ILE A 17 8.613 -3.879 -11.691 1.00 0.00 H new ATOM 0 HA ILE A 17 8.810 -4.938 -9.003 1.00 0.00 H new ATOM 0 HB ILE A 17 8.039 -6.238 -11.575 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.752 -4.224 -11.639 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.745 -5.649 -11.472 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.452 -7.513 -10.016 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.158 -7.686 -9.542 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.098 -6.563 -8.657 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.877 -3.800 -10.128 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.397 -5.138 -9.077 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.419 -3.691 -9.247 1.00 0.00 H new ATOM 266 N THR A 18 11.406 -5.316 -9.890 1.00 0.00 N ATOM 267 CA THR A 18 12.705 -5.991 -9.931 1.00 0.00 C ATOM 268 C THR A 18 12.805 -7.087 -8.852 1.00 0.00 C ATOM 269 O THR A 18 12.018 -7.140 -7.908 1.00 0.00 O ATOM 270 CB THR A 18 13.828 -4.935 -9.887 1.00 0.00 C ATOM 271 OG1 THR A 18 15.103 -5.532 -9.983 1.00 0.00 O ATOM 272 CG2 THR A 18 13.830 -4.035 -8.656 1.00 0.00 C ATOM 0 H THR A 18 11.456 -4.349 -9.569 1.00 0.00 H new ATOM 0 HA THR A 18 12.822 -6.531 -10.871 1.00 0.00 H new ATOM 0 HB THR A 18 13.613 -4.306 -10.751 1.00 0.00 H new ATOM 0 HG1 THR A 18 15.793 -4.837 -9.954 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.658 -3.329 -8.723 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.889 -3.487 -8.604 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.945 -4.645 -7.760 1.00 0.00 H new ATOM 280 N ASP A 19 13.827 -7.945 -8.951 1.00 0.00 N ATOM 281 CA ASP A 19 14.108 -9.045 -8.020 1.00 0.00 C ATOM 282 C ASP A 19 14.695 -8.535 -6.691 1.00 0.00 C ATOM 283 O ASP A 19 15.171 -9.322 -5.873 1.00 0.00 O ATOM 284 CB ASP A 19 15.091 -10.052 -8.646 1.00 0.00 C ATOM 285 CG ASP A 19 14.600 -10.697 -9.935 1.00 0.00 C ATOM 286 OD1 ASP A 19 13.917 -11.743 -9.874 1.00 0.00 O ATOM 287 OD2 ASP A 19 14.974 -10.221 -11.032 1.00 0.00 O ATOM 0 H ASP A 19 14.506 -7.891 -9.710 1.00 0.00 H new ATOM 0 HA ASP A 19 13.156 -9.535 -7.816 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.034 -9.543 -8.846 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.300 -10.837 -7.919 1.00 0.00 H new ATOM 292 N SER A 20 14.753 -7.210 -6.507 1.00 0.00 N ATOM 293 CA SER A 20 15.347 -6.532 -5.363 1.00 0.00 C ATOM 294 C SER A 20 14.443 -5.547 -4.636 1.00 0.00 C ATOM 295 O SER A 20 14.801 -5.091 -3.548 1.00 0.00 O ATOM 296 CB SER A 20 16.663 -5.901 -5.826 1.00 0.00 C ATOM 297 OG SER A 20 16.450 -4.770 -6.654 1.00 0.00 O ATOM 0 H SER A 20 14.367 -6.556 -7.188 1.00 0.00 H new ATOM 0 HA SER A 20 15.527 -7.282 -4.593 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.250 -5.607 -4.956 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.249 -6.642 -6.369 1.00 0.00 H new ATOM 0 HG SER A 20 17.314 -4.396 -6.926 1.00 0.00 H new ATOM 303 N SER A 21 13.315 -5.191 -5.225 1.00 0.00 N ATOM 304 CA SER A 21 12.407 -4.193 -4.722 1.00 0.00 C ATOM 305 C SER A 21 11.166 -4.150 -5.600 1.00 0.00 C ATOM 306 O SER A 21 11.210 -4.515 -6.775 1.00 0.00 O ATOM 307 CB SER A 21 13.085 -2.809 -4.682 1.00 0.00 C ATOM 308 OG SER A 21 13.835 -2.488 -5.850 1.00 0.00 O ATOM 0 H SER A 21 13.001 -5.610 -6.100 1.00 0.00 H new ATOM 0 HA SER A 21 12.120 -4.456 -3.704 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.320 -2.047 -4.535 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.747 -2.767 -3.817 1.00 0.00 H new ATOM 0 HG SER A 21 14.232 -1.597 -5.750 1.00 0.00 H new ATOM 314 N ILE A 22 10.086 -3.606 -5.051 1.00 0.00 N ATOM 315 CA ILE A 22 8.888 -3.286 -5.810 1.00 0.00 C ATOM 316 C ILE A 22 8.698 -1.774 -5.705 1.00 0.00 C ATOM 317 O ILE A 22 8.946 -1.176 -4.653 1.00 0.00 O ATOM 318 CB ILE A 22 7.701 -4.151 -5.314 1.00 0.00 C ATOM 319 CG1 ILE A 22 6.626 -4.307 -6.399 1.00 0.00 C ATOM 320 CG2 ILE A 22 7.091 -3.608 -4.019 1.00 0.00 C ATOM 321 CD1 ILE A 22 5.437 -5.206 -6.007 1.00 0.00 C ATOM 0 H ILE A 22 10.019 -3.374 -4.060 1.00 0.00 H new ATOM 0 HA ILE A 22 8.965 -3.532 -6.869 1.00 0.00 H new ATOM 0 HB ILE A 22 8.106 -5.139 -5.094 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.246 -3.319 -6.659 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.092 -4.715 -7.296 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.263 -4.247 -3.711 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.850 -3.595 -3.237 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.725 -2.595 -4.186 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.730 -5.256 -6.835 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.799 -6.208 -5.778 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.940 -4.790 -5.131 1.00 0.00 H new ATOM 333 N GLY A 23 8.270 -1.139 -6.788 1.00 0.00 N ATOM 334 CA GLY A 23 7.803 0.232 -6.773 1.00 0.00 C ATOM 335 C GLY A 23 6.293 0.232 -6.586 1.00 0.00 C ATOM 336 O GLY A 23 5.599 -0.696 -7.006 1.00 0.00 O ATOM 0 H GLY A 23 8.239 -1.571 -7.711 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.283 0.786 -5.966 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.068 0.732 -7.705 1.00 0.00 H new ATOM 340 N LEU A 24 5.770 1.314 -6.030 1.00 0.00 N ATOM 341 CA LEU A 24 4.361 1.635 -5.938 1.00 0.00 C ATOM 342 C LEU A 24 4.140 2.950 -6.645 1.00 0.00 C ATOM 343 O LEU A 24 5.012 3.823 -6.644 1.00 0.00 O ATOM 344 CB LEU A 24 3.923 1.808 -4.486 1.00 0.00 C ATOM 345 CG LEU A 24 3.759 0.482 -3.733 1.00 0.00 C ATOM 346 CD1 LEU A 24 4.596 0.455 -2.457 1.00 0.00 C ATOM 347 CD2 LEU A 24 2.295 0.271 -3.331 1.00 0.00 C ATOM 0 H LEU A 24 6.357 2.033 -5.606 1.00 0.00 H new ATOM 0 HA LEU A 24 3.787 0.823 -6.384 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.656 2.424 -3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.977 2.349 -4.462 1.00 0.00 H new ATOM 0 HG LEU A 24 4.092 -0.306 -4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.455 -0.499 -1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.649 0.579 -2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.283 1.266 -1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.197 -0.675 -2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.974 1.087 -2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.672 0.250 -4.225 1.00 0.00 H new ATOM 359 N ARG A 25 2.939 3.125 -7.178 1.00 0.00 N ATOM 360 CA ARG A 25 2.531 4.357 -7.806 1.00 0.00 C ATOM 361 C ARG A 25 1.078 4.584 -7.452 1.00 0.00 C ATOM 362 O ARG A 25 0.292 3.639 -7.432 1.00 0.00 O ATOM 363 CB ARG A 25 2.768 4.216 -9.309 1.00 0.00 C ATOM 364 CG ARG A 25 2.729 5.568 -10.008 1.00 0.00 C ATOM 365 CD ARG A 25 3.105 5.369 -11.475 1.00 0.00 C ATOM 366 NE ARG A 25 2.908 6.617 -12.209 1.00 0.00 N ATOM 367 CZ ARG A 25 3.008 6.775 -13.526 1.00 0.00 C ATOM 368 NH1 ARG A 25 3.438 5.803 -14.323 1.00 0.00 N ATOM 369 NH2 ARG A 25 2.624 7.913 -14.074 1.00 0.00 N ATOM 0 H ARG A 25 2.219 2.403 -7.183 1.00 0.00 H new ATOM 0 HA ARG A 25 3.099 5.223 -7.465 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.734 3.743 -9.483 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.010 3.561 -9.738 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.734 6.006 -9.929 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.422 6.261 -9.530 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.144 5.050 -11.554 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.495 4.579 -11.913 1.00 0.00 H new ATOM 0 HE ARG A 25 2.672 7.444 -11.661 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.704 4.901 -13.929 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.502 5.959 -15.329 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.254 8.662 -13.488 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.697 8.043 -15.083 1.00 0.00 H new ATOM 383 N TRP A 26 0.706 5.814 -7.133 1.00 0.00 N ATOM 384 CA TRP A 26 -0.682 6.189 -6.924 1.00 0.00 C ATOM 385 C TRP A 26 -0.852 7.689 -7.212 1.00 0.00 C ATOM 386 O TRP A 26 0.049 8.353 -7.737 1.00 0.00 O ATOM 387 CB TRP A 26 -1.129 5.720 -5.522 1.00 0.00 C ATOM 388 CG TRP A 26 -0.412 6.302 -4.343 1.00 0.00 C ATOM 389 CD1 TRP A 26 -0.659 7.511 -3.790 1.00 0.00 C ATOM 390 CD2 TRP A 26 0.649 5.699 -3.533 1.00 0.00 C ATOM 391 NE1 TRP A 26 0.179 7.705 -2.719 1.00 0.00 N ATOM 392 CE2 TRP A 26 1.023 6.639 -2.532 1.00 0.00 C ATOM 393 CE3 TRP A 26 1.324 4.456 -3.506 1.00 0.00 C ATOM 394 CZ2 TRP A 26 2.061 6.406 -1.622 1.00 0.00 C ATOM 395 CZ3 TRP A 26 2.379 4.224 -2.597 1.00 0.00 C ATOM 396 CH2 TRP A 26 2.790 5.209 -1.690 1.00 0.00 C ATOM 0 H TRP A 26 1.364 6.584 -7.011 1.00 0.00 H new ATOM 0 HA TRP A 26 -1.354 5.688 -7.621 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -2.191 5.942 -5.415 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -1.024 4.636 -5.479 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -1.401 8.215 -4.137 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.175 8.540 -2.134 1.00 0.00 H new ATOM 0 HE3 TRP A 26 1.028 3.674 -4.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 2.300 7.144 -0.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.880 3.267 -2.601 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.650 5.051 -1.056 1.00 0.00 H new ATOM 407 N THR A 27 -2.021 8.243 -6.891 1.00 0.00 N ATOM 408 CA THR A 27 -2.354 9.648 -7.080 1.00 0.00 C ATOM 409 C THR A 27 -2.339 10.323 -5.702 1.00 0.00 C ATOM 410 O THR A 27 -3.219 10.033 -4.892 1.00 0.00 O ATOM 411 CB THR A 27 -3.702 9.738 -7.807 1.00 0.00 C ATOM 412 OG1 THR A 27 -3.572 9.185 -9.105 1.00 0.00 O ATOM 413 CG2 THR A 27 -4.179 11.181 -7.982 1.00 0.00 C ATOM 0 H THR A 27 -2.784 7.706 -6.479 1.00 0.00 H new ATOM 0 HA THR A 27 -1.632 10.174 -7.705 1.00 0.00 H new ATOM 0 HB THR A 27 -4.424 9.196 -7.197 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.926 8.448 -9.084 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.137 11.187 -8.502 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.294 11.647 -7.004 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.446 11.738 -8.565 1.00 0.00 H new ATOM 421 N PRO A 28 -1.313 11.130 -5.372 1.00 0.00 N ATOM 422 CA PRO A 28 -1.237 11.790 -4.086 1.00 0.00 C ATOM 423 C PRO A 28 -2.356 12.814 -3.935 1.00 0.00 C ATOM 424 O PRO A 28 -2.625 13.618 -4.839 1.00 0.00 O ATOM 425 CB PRO A 28 0.133 12.445 -4.007 1.00 0.00 C ATOM 426 CG PRO A 28 0.668 12.480 -5.434 1.00 0.00 C ATOM 427 CD PRO A 28 -0.189 11.487 -6.214 1.00 0.00 C ATOM 0 HA PRO A 28 -1.363 11.076 -3.272 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.061 13.451 -3.593 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.798 11.879 -3.355 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.592 13.482 -5.857 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.721 12.200 -5.466 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.535 11.929 -7.148 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.391 10.602 -6.476 1.00 0.00 H new ATOM 435 N LEU A 29 -3.004 12.786 -2.783 1.00 0.00 N ATOM 436 CA LEU A 29 -4.042 13.706 -2.371 1.00 0.00 C ATOM 437 C LEU A 29 -3.443 14.818 -1.550 1.00 0.00 C ATOM 438 O LEU A 29 -3.151 14.601 -0.369 1.00 0.00 O ATOM 439 CB LEU A 29 -5.209 13.022 -1.648 1.00 0.00 C ATOM 440 CG LEU A 29 -5.681 11.742 -2.355 1.00 0.00 C ATOM 441 CD1 LEU A 29 -5.164 10.457 -1.709 1.00 0.00 C ATOM 442 CD2 LEU A 29 -7.205 11.723 -2.410 1.00 0.00 C ATOM 0 H LEU A 29 -2.807 12.080 -2.073 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.479 14.130 -3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.906 12.778 -0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.043 13.719 -1.574 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.261 11.766 -3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.538 9.596 -2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.074 10.454 -1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.510 10.404 -0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.540 10.815 -2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.606 11.747 -1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.560 12.594 -2.961 1.00 0.00 H new ATOM 454 N ASN A 30 -3.302 15.999 -2.127 1.00 0.00 N ATOM 455 CA ASN A 30 -2.814 17.208 -1.459 1.00 0.00 C ATOM 456 C ASN A 30 -3.902 17.796 -0.546 1.00 0.00 C ATOM 457 O ASN A 30 -4.142 19.011 -0.554 1.00 0.00 O ATOM 458 CB ASN A 30 -2.337 18.246 -2.493 1.00 0.00 C ATOM 459 CG ASN A 30 -1.506 17.630 -3.603 1.00 0.00 C ATOM 460 OD1 ASN A 30 -2.002 17.532 -4.719 1.00 0.00 O ATOM 461 ND2 ASN A 30 -0.305 17.163 -3.306 1.00 0.00 N ATOM 0 H ASN A 30 -3.531 16.155 -3.109 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.961 16.939 -0.837 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.204 18.744 -2.928 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.749 19.012 -1.988 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.252 16.696 -4.022 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.064 17.269 -2.361 1.00 0.00 H new ATOM 468 N SER A 31 -4.631 16.952 0.185 1.00 0.00 N ATOM 469 CA SER A 31 -5.385 17.374 1.354 1.00 0.00 C ATOM 470 C SER A 31 -4.376 17.839 2.418 1.00 0.00 C ATOM 471 O SER A 31 -3.240 17.365 2.440 1.00 0.00 O ATOM 472 CB SER A 31 -6.199 16.179 1.878 1.00 0.00 C ATOM 473 OG SER A 31 -7.321 15.884 1.064 1.00 0.00 O ATOM 0 H SER A 31 -4.712 15.956 -0.021 1.00 0.00 H new ATOM 0 HA SER A 31 -6.070 18.186 1.112 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.555 15.302 1.933 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.537 16.391 2.892 1.00 0.00 H new ATOM 0 HG SER A 31 -7.804 15.117 1.438 1.00 0.00 H new ATOM 479 N SER A 32 -4.799 18.709 3.336 1.00 0.00 N ATOM 480 CA SER A 32 -4.047 19.021 4.550 1.00 0.00 C ATOM 481 C SER A 32 -4.205 17.909 5.587 1.00 0.00 C ATOM 482 O SER A 32 -3.233 17.414 6.153 1.00 0.00 O ATOM 483 CB SER A 32 -4.539 20.355 5.126 1.00 0.00 C ATOM 484 OG SER A 32 -5.943 20.543 4.981 1.00 0.00 O ATOM 0 H SER A 32 -5.678 19.220 3.257 1.00 0.00 H new ATOM 0 HA SER A 32 -2.989 19.101 4.298 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.279 20.405 6.183 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.016 21.173 4.630 1.00 0.00 H new ATOM 0 HG SER A 32 -6.199 21.407 5.367 1.00 0.00 H new ATOM 490 N THR A 33 -5.459 17.533 5.840 1.00 0.00 N ATOM 491 CA THR A 33 -5.890 16.792 7.019 1.00 0.00 C ATOM 492 C THR A 33 -5.515 15.305 6.971 1.00 0.00 C ATOM 493 O THR A 33 -5.404 14.640 8.003 1.00 0.00 O ATOM 494 CB THR A 33 -7.403 17.041 7.132 1.00 0.00 C ATOM 495 OG1 THR A 33 -7.814 17.141 8.476 1.00 0.00 O ATOM 496 CG2 THR A 33 -8.282 16.059 6.346 1.00 0.00 C ATOM 0 H THR A 33 -6.228 17.745 5.205 1.00 0.00 H new ATOM 0 HA THR A 33 -5.372 17.140 7.913 1.00 0.00 H new ATOM 0 HB THR A 33 -7.561 18.004 6.647 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.780 17.301 8.512 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.332 16.316 6.488 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.035 16.117 5.286 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.105 15.045 6.705 1.00 0.00 H new ATOM 504 N ILE A 34 -5.341 14.793 5.755 1.00 0.00 N ATOM 505 CA ILE A 34 -4.824 13.471 5.437 1.00 0.00 C ATOM 506 C ILE A 34 -3.534 13.257 6.232 1.00 0.00 C ATOM 507 O ILE A 34 -2.705 14.165 6.300 1.00 0.00 O ATOM 508 CB ILE A 34 -4.682 13.373 3.909 1.00 0.00 C ATOM 509 CG1 ILE A 34 -4.631 11.923 3.403 1.00 0.00 C ATOM 510 CG2 ILE A 34 -3.544 14.244 3.374 1.00 0.00 C ATOM 511 CD1 ILE A 34 -3.254 11.299 3.161 1.00 0.00 C ATOM 0 H ILE A 34 -5.572 15.325 4.916 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.491 12.660 5.731 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.598 13.788 3.488 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.160 11.298 4.123 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.189 11.875 2.468 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.485 14.140 2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.733 15.287 3.629 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.602 13.927 3.821 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.376 10.275 2.807 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.717 11.881 2.412 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.687 11.296 4.092 1.00 0.00 H new ATOM 523 N ILE A 35 -3.352 12.077 6.826 1.00 0.00 N ATOM 524 CA ILE A 35 -2.118 11.806 7.544 1.00 0.00 C ATOM 525 C ILE A 35 -1.102 11.335 6.518 1.00 0.00 C ATOM 526 O ILE A 35 -0.104 12.017 6.293 1.00 0.00 O ATOM 527 CB ILE A 35 -2.320 10.794 8.685 1.00 0.00 C ATOM 528 CG1 ILE A 35 -3.229 11.359 9.799 1.00 0.00 C ATOM 529 CG2 ILE A 35 -0.971 10.402 9.307 1.00 0.00 C ATOM 530 CD1 ILE A 35 -4.668 10.878 9.650 1.00 0.00 C ATOM 0 H ILE A 35 -4.029 11.314 6.823 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.758 12.708 8.038 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.800 9.919 8.247 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.843 11.056 10.772 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.205 12.448 9.771 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.136 9.686 10.112 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.336 9.951 8.544 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.483 11.291 9.707 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.276 11.297 10.452 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.063 11.203 8.687 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.695 9.790 9.704 1.00 0.00 H new ATOM 542 N GLY A 36 -1.361 10.186 5.907 1.00 0.00 N ATOM 543 CA GLY A 36 -0.407 9.528 5.045 1.00 0.00 C ATOM 544 C GLY A 36 -1.035 8.296 4.432 1.00 0.00 C ATOM 545 O GLY A 36 -2.261 8.136 4.408 1.00 0.00 O ATOM 0 H GLY A 36 -2.246 9.687 6.001 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.081 10.210 4.260 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.480 9.250 5.614 1.00 0.00 H new ATOM 549 N TYR A 37 -0.174 7.421 3.938 1.00 0.00 N ATOM 550 CA TYR A 37 -0.549 6.109 3.466 1.00 0.00 C ATOM 551 C TYR A 37 0.401 5.157 4.190 1.00 0.00 C ATOM 552 O TYR A 37 1.542 5.525 4.489 1.00 0.00 O ATOM 553 CB TYR A 37 -0.436 6.049 1.916 1.00 0.00 C ATOM 554 CG TYR A 37 -0.800 7.340 1.192 1.00 0.00 C ATOM 555 CD1 TYR A 37 -2.153 7.658 0.990 1.00 0.00 C ATOM 556 CD2 TYR A 37 0.194 8.236 0.748 1.00 0.00 C ATOM 557 CE1 TYR A 37 -2.523 8.841 0.330 1.00 0.00 C ATOM 558 CE2 TYR A 37 -0.163 9.420 0.073 1.00 0.00 C ATOM 559 CZ TYR A 37 -1.527 9.729 -0.133 1.00 0.00 C ATOM 560 OH TYR A 37 -1.879 10.879 -0.773 1.00 0.00 O ATOM 0 H TYR A 37 0.824 7.612 3.855 1.00 0.00 H new ATOM 0 HA TYR A 37 -1.584 5.841 3.678 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.586 5.778 1.652 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -1.082 5.251 1.550 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.918 6.984 1.347 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.236 8.013 0.926 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.567 9.071 0.177 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.604 10.090 -0.286 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.454 11.643 -0.330 1.00 0.00 H new ATOM 570 N ARG A 38 -0.083 3.963 4.510 1.00 0.00 N ATOM 571 CA ARG A 38 0.606 2.967 5.311 1.00 0.00 C ATOM 572 C ARG A 38 0.626 1.698 4.493 1.00 0.00 C ATOM 573 O ARG A 38 -0.442 1.265 4.054 1.00 0.00 O ATOM 574 CB ARG A 38 -0.132 2.822 6.652 1.00 0.00 C ATOM 575 CG ARG A 38 0.213 1.583 7.492 1.00 0.00 C ATOM 576 CD ARG A 38 -0.589 0.341 7.058 1.00 0.00 C ATOM 577 NE ARG A 38 -0.739 -0.605 8.171 1.00 0.00 N ATOM 578 CZ ARG A 38 -1.651 -0.552 9.150 1.00 0.00 C ATOM 579 NH1 ARG A 38 -2.689 0.276 9.106 1.00 0.00 N ATOM 580 NH2 ARG A 38 -1.512 -1.327 10.209 1.00 0.00 N ATOM 0 H ARG A 38 -1.005 3.653 4.204 1.00 0.00 H new ATOM 0 HA ARG A 38 1.634 3.239 5.553 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.072 3.709 7.252 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.204 2.812 6.453 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.279 1.373 7.405 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.014 1.792 8.543 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.572 0.646 6.700 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.085 -0.149 6.225 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.080 -1.383 8.202 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.811 0.899 8.308 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.364 0.289 9.871 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.715 -1.960 10.277 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.202 -1.293 10.960 1.00 0.00 H new ATOM 594 N ILE A 39 1.791 1.099 4.299 1.00 0.00 N ATOM 595 CA ILE A 39 1.921 -0.155 3.581 1.00 0.00 C ATOM 596 C ILE A 39 2.198 -1.230 4.630 1.00 0.00 C ATOM 597 O ILE A 39 2.833 -0.972 5.649 1.00 0.00 O ATOM 598 CB ILE A 39 2.962 -0.012 2.439 1.00 0.00 C ATOM 599 CG1 ILE A 39 2.424 0.939 1.336 1.00 0.00 C ATOM 600 CG2 ILE A 39 3.324 -1.354 1.780 1.00 0.00 C ATOM 601 CD1 ILE A 39 2.778 2.424 1.510 1.00 0.00 C ATOM 0 H ILE A 39 2.677 1.473 4.638 1.00 0.00 H new ATOM 0 HA ILE A 39 1.016 -0.455 3.052 1.00 0.00 H new ATOM 0 HB ILE A 39 3.862 0.393 2.903 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.808 0.603 0.373 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.339 0.845 1.297 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.056 -1.186 0.990 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.746 -2.025 2.528 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.427 -1.804 1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.354 2.998 0.686 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.370 2.787 2.453 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.862 2.542 1.514 1.00 0.00 H new ATOM 613 N THR A 40 1.678 -2.432 4.384 1.00 0.00 N ATOM 614 CA THR A 40 1.994 -3.636 5.127 1.00 0.00 C ATOM 615 C THR A 40 2.205 -4.687 4.042 1.00 0.00 C ATOM 616 O THR A 40 1.283 -4.958 3.270 1.00 0.00 O ATOM 617 CB THR A 40 0.819 -4.079 6.015 1.00 0.00 C ATOM 618 OG1 THR A 40 0.476 -3.162 7.035 1.00 0.00 O ATOM 619 CG2 THR A 40 1.229 -5.368 6.738 1.00 0.00 C ATOM 0 H THR A 40 1.004 -2.592 3.636 1.00 0.00 H new ATOM 0 HA THR A 40 2.851 -3.487 5.784 1.00 0.00 H new ATOM 0 HB THR A 40 -0.036 -4.183 5.348 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.278 -3.515 7.552 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.411 -5.703 7.376 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.457 -6.140 6.003 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.111 -5.177 7.350 1.00 0.00 H new ATOM 627 N VAL A 41 3.378 -5.304 3.987 1.00 0.00 N ATOM 628 CA VAL A 41 3.638 -6.422 3.088 1.00 0.00 C ATOM 629 C VAL A 41 3.653 -7.694 3.955 1.00 0.00 C ATOM 630 O VAL A 41 4.346 -7.741 4.976 1.00 0.00 O ATOM 631 CB VAL A 41 4.915 -6.177 2.232 1.00 0.00 C ATOM 632 CG1 VAL A 41 4.617 -6.012 0.737 1.00 0.00 C ATOM 633 CG2 VAL A 41 5.676 -4.876 2.535 1.00 0.00 C ATOM 0 H VAL A 41 4.177 -5.044 4.565 1.00 0.00 H new ATOM 0 HA VAL A 41 2.859 -6.539 2.335 1.00 0.00 H new ATOM 0 HB VAL A 41 5.494 -7.065 2.486 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.549 -5.844 0.197 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.136 -6.915 0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.954 -5.159 0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.547 -4.804 1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.021 -4.022 2.360 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.000 -4.878 3.576 1.00 0.00 H new ATOM 643 N VAL A 42 2.846 -8.706 3.609 1.00 0.00 N ATOM 644 CA VAL A 42 2.876 -10.029 4.254 1.00 0.00 C ATOM 645 C VAL A 42 3.035 -11.101 3.173 1.00 0.00 C ATOM 646 O VAL A 42 2.741 -10.839 2.007 1.00 0.00 O ATOM 647 CB VAL A 42 1.671 -10.257 5.196 1.00 0.00 C ATOM 648 CG1 VAL A 42 1.322 -9.023 6.037 1.00 0.00 C ATOM 649 CG2 VAL A 42 0.411 -10.668 4.459 1.00 0.00 C ATOM 0 H VAL A 42 2.148 -8.631 2.869 1.00 0.00 H new ATOM 0 HA VAL A 42 3.739 -10.092 4.917 1.00 0.00 H new ATOM 0 HB VAL A 42 2.003 -11.067 5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.468 -9.248 6.676 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.177 -8.751 6.656 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.072 -8.192 5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.398 -10.813 5.175 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.133 -9.888 3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.591 -11.599 3.922 1.00 0.00 H new ATOM 659 N ALA A 43 3.399 -12.329 3.528 1.00 0.00 N ATOM 660 CA ALA A 43 3.388 -13.398 2.544 1.00 0.00 C ATOM 661 C ALA A 43 1.925 -13.781 2.312 1.00 0.00 C ATOM 662 O ALA A 43 1.157 -13.987 3.253 1.00 0.00 O ATOM 663 CB ALA A 43 4.275 -14.559 2.993 1.00 0.00 C ATOM 0 H ALA A 43 3.697 -12.602 4.465 1.00 0.00 H new ATOM 0 HA ALA A 43 3.815 -13.080 1.593 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.251 -15.347 2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.299 -14.207 3.118 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.908 -14.951 3.941 1.00 0.00 H new ATOM 669 N ALA A 44 1.515 -13.843 1.048 1.00 0.00 N ATOM 670 CA ALA A 44 0.250 -14.456 0.669 1.00 0.00 C ATOM 671 C ALA A 44 0.328 -15.981 0.843 1.00 0.00 C ATOM 672 O ALA A 44 -0.703 -16.636 1.019 1.00 0.00 O ATOM 673 CB ALA A 44 -0.086 -14.062 -0.768 1.00 0.00 C ATOM 0 H ALA A 44 2.049 -13.471 0.263 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.550 -14.098 1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.033 -14.518 -1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.169 -12.977 -0.838 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.703 -14.409 -1.435 1.00 0.00 H new ATOM 679 N GLY A 45 1.538 -16.555 0.821 1.00 0.00 N ATOM 680 CA GLY A 45 1.755 -17.979 1.037 1.00 0.00 C ATOM 681 C GLY A 45 1.305 -18.428 2.424 1.00 0.00 C ATOM 682 O GLY A 45 0.631 -19.449 2.548 1.00 0.00 O ATOM 0 H GLY A 45 2.398 -16.033 0.651 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.213 -18.546 0.280 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.813 -18.207 0.909 1.00 0.00 H new ATOM 686 N GLU A 46 1.658 -17.665 3.453 1.00 0.00 N ATOM 687 CA GLU A 46 1.293 -17.887 4.846 1.00 0.00 C ATOM 688 C GLU A 46 1.359 -16.521 5.533 1.00 0.00 C ATOM 689 O GLU A 46 2.286 -15.765 5.257 1.00 0.00 O ATOM 690 CB GLU A 46 2.305 -18.880 5.441 1.00 0.00 C ATOM 691 CG GLU A 46 2.068 -19.181 6.924 1.00 0.00 C ATOM 692 CD GLU A 46 3.010 -20.260 7.463 1.00 0.00 C ATOM 693 OE1 GLU A 46 4.180 -20.316 7.008 1.00 0.00 O ATOM 694 OE2 GLU A 46 2.553 -21.055 8.321 1.00 0.00 O ATOM 0 H GLU A 46 2.236 -16.833 3.331 1.00 0.00 H new ATOM 0 HA GLU A 46 0.295 -18.306 4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.261 -19.812 4.878 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.311 -18.479 5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.200 -18.267 7.502 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.036 -19.501 7.066 1.00 0.00 H new ATOM 701 N GLY A 47 0.444 -16.204 6.453 1.00 0.00 N ATOM 702 CA GLY A 47 0.261 -14.897 7.095 1.00 0.00 C ATOM 703 C GLY A 47 1.387 -14.469 8.047 1.00 0.00 C ATOM 704 O GLY A 47 1.174 -13.653 8.951 1.00 0.00 O ATOM 0 H GLY A 47 -0.229 -16.892 6.790 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.158 -14.140 6.317 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.676 -14.912 7.651 1.00 0.00 H new ATOM 708 N ILE A 48 2.565 -15.070 7.932 1.00 0.00 N ATOM 709 CA ILE A 48 3.862 -14.498 8.253 1.00 0.00 C ATOM 710 C ILE A 48 3.962 -13.077 7.658 1.00 0.00 C ATOM 711 O ILE A 48 4.005 -12.936 6.430 1.00 0.00 O ATOM 712 CB ILE A 48 4.968 -15.502 7.845 1.00 0.00 C ATOM 713 CG1 ILE A 48 4.940 -16.641 8.896 1.00 0.00 C ATOM 714 CG2 ILE A 48 6.358 -14.852 7.734 1.00 0.00 C ATOM 715 CD1 ILE A 48 5.971 -17.755 8.717 1.00 0.00 C ATOM 0 H ILE A 48 2.642 -16.028 7.591 1.00 0.00 H new ATOM 0 HA ILE A 48 4.002 -14.348 9.324 1.00 0.00 H new ATOM 0 HB ILE A 48 4.771 -15.889 6.845 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.082 -16.199 9.882 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.947 -17.090 8.887 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.090 -15.606 7.445 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.332 -14.064 6.981 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.638 -14.425 8.697 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.852 -18.492 9.512 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.822 -18.237 7.750 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.975 -17.332 8.761 1.00 0.00 H new ATOM 727 N PRO A 49 3.893 -12.007 8.475 1.00 0.00 N ATOM 728 CA PRO A 49 4.130 -10.660 7.984 1.00 0.00 C ATOM 729 C PRO A 49 5.601 -10.516 7.593 1.00 0.00 C ATOM 730 O PRO A 49 6.462 -11.217 8.129 1.00 0.00 O ATOM 731 CB PRO A 49 3.752 -9.739 9.144 1.00 0.00 C ATOM 732 CG PRO A 49 4.162 -10.562 10.361 1.00 0.00 C ATOM 733 CD PRO A 49 3.905 -12.008 9.931 1.00 0.00 C ATOM 0 HA PRO A 49 3.547 -10.417 7.096 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.284 -8.789 9.098 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.687 -9.508 9.149 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.209 -10.402 10.617 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.574 -10.296 11.240 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.682 -12.671 10.313 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.956 -12.368 10.327 1.00 0.00 H new ATOM 741 N ILE A 50 5.890 -9.567 6.705 1.00 0.00 N ATOM 742 CA ILE A 50 7.252 -9.134 6.456 1.00 0.00 C ATOM 743 C ILE A 50 7.452 -7.931 7.378 1.00 0.00 C ATOM 744 O ILE A 50 7.999 -8.082 8.473 1.00 0.00 O ATOM 745 CB ILE A 50 7.492 -8.854 4.951 1.00 0.00 C ATOM 746 CG1 ILE A 50 6.910 -9.883 3.971 1.00 0.00 C ATOM 747 CG2 ILE A 50 8.979 -8.570 4.682 1.00 0.00 C ATOM 748 CD1 ILE A 50 7.520 -11.255 4.150 1.00 0.00 C ATOM 0 H ILE A 50 5.188 -9.083 6.145 1.00 0.00 H new ATOM 0 HA ILE A 50 7.997 -9.897 6.680 1.00 0.00 H new ATOM 0 HB ILE A 50 6.909 -7.958 4.738 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.831 -9.946 4.112 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.078 -9.544 2.949 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.126 -8.376 3.620 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.293 -7.699 5.257 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.574 -9.434 4.979 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.076 -11.947 3.434 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.596 -11.200 3.982 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.329 -11.609 5.163 1.00 0.00 H new ATOM 760 N PHE A 51 6.957 -6.759 6.967 1.00 0.00 N ATOM 761 CA PHE A 51 7.146 -5.481 7.637 1.00 0.00 C ATOM 762 C PHE A 51 6.014 -4.527 7.254 1.00 0.00 C ATOM 763 O PHE A 51 5.125 -4.870 6.466 1.00 0.00 O ATOM 764 CB PHE A 51 8.559 -4.929 7.358 1.00 0.00 C ATOM 765 CG PHE A 51 8.752 -4.019 6.163 1.00 0.00 C ATOM 766 CD1 PHE A 51 8.562 -4.498 4.851 1.00 0.00 C ATOM 767 CD2 PHE A 51 9.197 -2.699 6.372 1.00 0.00 C ATOM 768 CE1 PHE A 51 8.799 -3.642 3.760 1.00 0.00 C ATOM 769 CE2 PHE A 51 9.432 -1.853 5.277 1.00 0.00 C ATOM 770 CZ PHE A 51 9.229 -2.317 3.967 1.00 0.00 C ATOM 0 H PHE A 51 6.391 -6.678 6.122 1.00 0.00 H new ATOM 0 HA PHE A 51 7.090 -5.607 8.718 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.885 -4.386 8.245 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.231 -5.779 7.240 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.237 -5.514 4.685 1.00 0.00 H new ATOM 0 HD2 PHE A 51 9.358 -2.337 7.377 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.650 -4.005 2.754 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.770 -0.841 5.442 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.401 -1.663 3.125 1.00 0.00 H new ATOM 780 N GLU A 52 6.023 -3.349 7.870 1.00 0.00 N ATOM 781 CA GLU A 52 5.191 -2.216 7.484 1.00 0.00 C ATOM 782 C GLU A 52 6.068 -0.986 7.273 1.00 0.00 C ATOM 783 O GLU A 52 7.188 -0.913 7.790 1.00 0.00 O ATOM 784 CB GLU A 52 4.088 -1.964 8.530 1.00 0.00 C ATOM 785 CG GLU A 52 4.524 -1.059 9.697 1.00 0.00 C ATOM 786 CD GLU A 52 3.426 -0.950 10.751 1.00 0.00 C ATOM 787 OE1 GLU A 52 2.921 -2.000 11.212 1.00 0.00 O ATOM 788 OE2 GLU A 52 2.992 0.175 11.084 1.00 0.00 O ATOM 0 H GLU A 52 6.624 -3.152 8.670 1.00 0.00 H new ATOM 0 HA GLU A 52 4.689 -2.441 6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.229 -1.512 8.035 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.757 -2.922 8.931 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.430 -1.459 10.152 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.769 -0.066 9.319 1.00 0.00 H new ATOM 795 N ASP A 53 5.523 0.003 6.573 1.00 0.00 N ATOM 796 CA ASP A 53 6.151 1.278 6.279 1.00 0.00 C ATOM 797 C ASP A 53 5.098 2.368 6.129 1.00 0.00 C ATOM 798 O ASP A 53 3.888 2.106 6.112 1.00 0.00 O ATOM 799 CB ASP A 53 7.070 1.209 5.058 1.00 0.00 C ATOM 800 CG ASP A 53 6.346 1.094 3.726 1.00 0.00 C ATOM 801 OD1 ASP A 53 5.617 2.035 3.366 1.00 0.00 O ATOM 802 OD2 ASP A 53 6.642 0.118 2.994 1.00 0.00 O ATOM 0 H ASP A 53 4.586 -0.070 6.178 1.00 0.00 H new ATOM 0 HA ASP A 53 6.789 1.532 7.125 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.696 2.101 5.040 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.737 0.354 5.169 1.00 0.00 H new ATOM 807 N PHE A 54 5.580 3.608 6.127 1.00 0.00 N ATOM 808 CA PHE A 54 4.788 4.799 5.922 1.00 0.00 C ATOM 809 C PHE A 54 5.415 5.627 4.812 1.00 0.00 C ATOM 810 O PHE A 54 6.614 5.522 4.539 1.00 0.00 O ATOM 811 CB PHE A 54 4.750 5.603 7.227 1.00 0.00 C ATOM 812 CG PHE A 54 3.363 5.689 7.803 1.00 0.00 C ATOM 813 CD1 PHE A 54 2.895 4.695 8.680 1.00 0.00 C ATOM 814 CD2 PHE A 54 2.537 6.770 7.455 1.00 0.00 C ATOM 815 CE1 PHE A 54 1.616 4.807 9.247 1.00 0.00 C ATOM 816 CE2 PHE A 54 1.258 6.883 8.010 1.00 0.00 C ATOM 817 CZ PHE A 54 0.805 5.901 8.906 1.00 0.00 C ATOM 0 H PHE A 54 6.569 3.809 6.274 1.00 0.00 H new ATOM 0 HA PHE A 54 3.770 4.533 5.636 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.416 5.141 7.956 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.128 6.609 7.043 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.519 3.846 8.917 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.890 7.515 6.758 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.259 4.059 9.939 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.624 7.718 7.752 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.181 5.989 9.339 1.00 0.00 H new ATOM 827 N VAL A 55 4.610 6.513 4.234 1.00 0.00 N ATOM 828 CA VAL A 55 5.059 7.540 3.315 1.00 0.00 C ATOM 829 C VAL A 55 4.572 8.902 3.834 1.00 0.00 C ATOM 830 O VAL A 55 3.869 8.976 4.845 1.00 0.00 O ATOM 831 CB VAL A 55 4.540 7.183 1.901 1.00 0.00 C ATOM 832 CG1 VAL A 55 5.671 6.626 1.034 1.00 0.00 C ATOM 833 CG2 VAL A 55 3.344 6.215 1.868 1.00 0.00 C ATOM 0 H VAL A 55 3.604 6.533 4.399 1.00 0.00 H new ATOM 0 HA VAL A 55 6.145 7.600 3.249 1.00 0.00 H new ATOM 0 HB VAL A 55 4.172 8.127 1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.284 6.382 0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.460 7.373 0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.076 5.726 1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.056 6.028 0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.624 5.274 2.342 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.504 6.656 2.405 1.00 0.00 H new ATOM 843 N ASP A 56 4.849 9.979 3.094 1.00 0.00 N ATOM 844 CA ASP A 56 4.888 11.317 3.688 1.00 0.00 C ATOM 845 C ASP A 56 3.501 11.865 4.019 1.00 0.00 C ATOM 846 O ASP A 56 3.172 12.109 5.176 1.00 0.00 O ATOM 847 CB ASP A 56 5.640 12.290 2.769 1.00 0.00 C ATOM 848 CG ASP A 56 6.456 13.310 3.551 1.00 0.00 C ATOM 849 OD1 ASP A 56 6.057 13.665 4.680 1.00 0.00 O ATOM 850 OD2 ASP A 56 7.553 13.673 3.070 1.00 0.00 O ATOM 0 H ASP A 56 5.047 9.952 2.094 1.00 0.00 H new ATOM 0 HA ASP A 56 5.422 11.222 4.634 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.301 11.727 2.111 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.925 12.811 2.132 1.00 0.00 H new ATOM 855 N SER A 57 2.692 12.013 2.969 1.00 0.00 N ATOM 856 CA SER A 57 1.327 12.513 2.889 1.00 0.00 C ATOM 857 C SER A 57 0.929 12.811 1.455 1.00 0.00 C ATOM 858 O SER A 57 -0.240 12.619 1.117 1.00 0.00 O ATOM 859 CB SER A 57 1.066 13.731 3.795 1.00 0.00 C ATOM 860 OG SER A 57 1.783 14.885 3.419 1.00 0.00 O ATOM 0 H SER A 57 3.025 11.751 2.041 1.00 0.00 H new ATOM 0 HA SER A 57 0.695 11.709 3.266 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.000 13.958 3.785 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.327 13.471 4.821 1.00 0.00 H new ATOM 0 HG SER A 57 1.569 15.618 4.034 1.00 0.00 H new ATOM 866 N SER A 58 1.893 13.176 0.606 1.00 0.00 N ATOM 867 CA SER A 58 1.614 13.546 -0.776 1.00 0.00 C ATOM 868 C SER A 58 2.621 12.918 -1.731 1.00 0.00 C ATOM 869 O SER A 58 2.822 13.388 -2.853 1.00 0.00 O ATOM 870 CB SER A 58 1.407 15.059 -0.909 1.00 0.00 C ATOM 871 OG SER A 58 2.560 15.819 -0.610 1.00 0.00 O ATOM 0 H SER A 58 2.880 13.222 0.858 1.00 0.00 H new ATOM 0 HA SER A 58 0.661 13.119 -1.088 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.088 15.285 -1.926 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.598 15.366 -0.246 1.00 0.00 H new ATOM 0 HG SER A 58 2.360 16.772 -0.716 1.00 0.00 H new ATOM 877 N VAL A 59 3.147 11.764 -1.316 1.00 0.00 N ATOM 878 CA VAL A 59 4.001 10.941 -2.164 1.00 0.00 C ATOM 879 C VAL A 59 3.102 10.281 -3.208 1.00 0.00 C ATOM 880 O VAL A 59 2.037 9.788 -2.839 1.00 0.00 O ATOM 881 CB VAL A 59 4.698 9.863 -1.308 1.00 0.00 C ATOM 882 CG1 VAL A 59 5.549 8.898 -2.133 1.00 0.00 C ATOM 883 CG2 VAL A 59 5.608 10.490 -0.255 1.00 0.00 C ATOM 0 H VAL A 59 2.992 11.378 -0.385 1.00 0.00 H new ATOM 0 HA VAL A 59 4.770 11.544 -2.646 1.00 0.00 H new ATOM 0 HB VAL A 59 3.885 9.309 -0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.012 8.165 -1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.918 8.385 -2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.325 9.455 -2.658 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.083 9.703 0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.374 11.089 -0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.017 11.126 0.404 1.00 0.00 H new ATOM 893 N GLY A 60 3.526 10.248 -4.479 1.00 0.00 N ATOM 894 CA GLY A 60 2.801 9.589 -5.576 1.00 0.00 C ATOM 895 C GLY A 60 3.557 8.414 -6.198 1.00 0.00 C ATOM 896 O GLY A 60 3.024 7.714 -7.061 1.00 0.00 O ATOM 0 H GLY A 60 4.397 10.686 -4.779 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.841 9.234 -5.202 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.589 10.324 -6.352 1.00 0.00 H new ATOM 900 N TYR A 61 4.794 8.200 -5.758 1.00 0.00 N ATOM 901 CA TYR A 61 5.688 7.140 -6.195 1.00 0.00 C ATOM 902 C TYR A 61 6.506 6.728 -4.974 1.00 0.00 C ATOM 903 O TYR A 61 7.127 7.579 -4.337 1.00 0.00 O ATOM 904 CB TYR A 61 6.587 7.625 -7.348 1.00 0.00 C ATOM 905 CG TYR A 61 7.407 6.487 -7.940 1.00 0.00 C ATOM 906 CD1 TYR A 61 8.437 5.896 -7.176 1.00 0.00 C ATOM 907 CD2 TYR A 61 7.080 5.947 -9.203 1.00 0.00 C ATOM 908 CE1 TYR A 61 9.073 4.727 -7.619 1.00 0.00 C ATOM 909 CE2 TYR A 61 7.747 4.801 -9.682 1.00 0.00 C ATOM 910 CZ TYR A 61 8.725 4.169 -8.870 1.00 0.00 C ATOM 911 OH TYR A 61 9.316 2.997 -9.243 1.00 0.00 O ATOM 0 H TYR A 61 5.220 8.796 -5.048 1.00 0.00 H new ATOM 0 HA TYR A 61 5.132 6.287 -6.583 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.970 8.072 -8.127 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.256 8.405 -6.984 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.738 6.348 -6.242 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.315 6.414 -9.805 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.826 4.255 -7.006 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.515 4.406 -10.660 1.00 0.00 H new ATOM 0 HH TYR A 61 9.683 3.089 -10.147 1.00 0.00 H new ATOM 921 N TYR A 62 6.566 5.443 -4.638 1.00 0.00 N ATOM 922 CA TYR A 62 7.338 4.942 -3.500 1.00 0.00 C ATOM 923 C TYR A 62 8.028 3.626 -3.906 1.00 0.00 C ATOM 924 O TYR A 62 7.611 3.003 -4.878 1.00 0.00 O ATOM 925 CB TYR A 62 6.395 4.874 -2.285 1.00 0.00 C ATOM 926 CG TYR A 62 6.900 4.074 -1.106 1.00 0.00 C ATOM 927 CD1 TYR A 62 8.123 4.413 -0.509 1.00 0.00 C ATOM 928 CD2 TYR A 62 6.149 3.005 -0.596 1.00 0.00 C ATOM 929 CE1 TYR A 62 8.654 3.620 0.523 1.00 0.00 C ATOM 930 CE2 TYR A 62 6.678 2.193 0.417 1.00 0.00 C ATOM 931 CZ TYR A 62 7.955 2.469 0.947 1.00 0.00 C ATOM 932 OH TYR A 62 8.522 1.610 1.834 1.00 0.00 O ATOM 0 H TYR A 62 6.076 4.711 -5.152 1.00 0.00 H new ATOM 0 HA TYR A 62 8.155 5.599 -3.202 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.191 5.891 -1.950 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.445 4.448 -2.609 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.660 5.288 -0.844 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.161 2.807 -0.985 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.591 3.889 0.989 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.107 1.356 0.791 1.00 0.00 H new ATOM 0 HH TYR A 62 7.923 0.848 1.980 1.00 0.00 H new ATOM 942 N THR A 63 9.083 3.199 -3.207 1.00 0.00 N ATOM 943 CA THR A 63 9.800 1.948 -3.463 1.00 0.00 C ATOM 944 C THR A 63 9.982 1.210 -2.139 1.00 0.00 C ATOM 945 O THR A 63 10.366 1.822 -1.141 1.00 0.00 O ATOM 946 CB THR A 63 11.165 2.221 -4.128 1.00 0.00 C ATOM 947 OG1 THR A 63 11.022 2.974 -5.317 1.00 0.00 O ATOM 948 CG2 THR A 63 11.916 0.936 -4.493 1.00 0.00 C ATOM 0 H THR A 63 9.472 3.728 -2.427 1.00 0.00 H new ATOM 0 HA THR A 63 9.221 1.331 -4.151 1.00 0.00 H new ATOM 0 HB THR A 63 11.735 2.777 -3.383 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.905 3.131 -5.713 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.869 1.191 -4.957 1.00 0.00 H new ATOM 0 HG22 THR A 63 12.097 0.351 -3.591 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.317 0.351 -5.191 1.00 0.00 H new ATOM 956 N VAL A 64 9.755 -0.100 -2.150 1.00 0.00 N ATOM 957 CA VAL A 64 9.887 -1.006 -1.025 1.00 0.00 C ATOM 958 C VAL A 64 11.021 -1.965 -1.381 1.00 0.00 C ATOM 959 O VAL A 64 11.028 -2.509 -2.485 1.00 0.00 O ATOM 960 CB VAL A 64 8.571 -1.790 -0.814 1.00 0.00 C ATOM 961 CG1 VAL A 64 8.394 -2.141 0.659 1.00 0.00 C ATOM 962 CG2 VAL A 64 7.293 -1.077 -1.273 1.00 0.00 C ATOM 0 H VAL A 64 9.456 -0.582 -2.998 1.00 0.00 H new ATOM 0 HA VAL A 64 10.098 -0.466 -0.102 1.00 0.00 H new ATOM 0 HB VAL A 64 8.688 -2.671 -1.444 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.463 -2.693 0.792 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.231 -2.756 0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.361 -1.226 1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.431 -1.715 -1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.182 -0.141 -0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.357 -0.868 -2.341 1.00 0.00 H new ATOM 972 N THR A 65 11.965 -2.182 -0.472 1.00 0.00 N ATOM 973 CA THR A 65 12.921 -3.284 -0.558 1.00 0.00 C ATOM 974 C THR A 65 12.399 -4.387 0.381 1.00 0.00 C ATOM 975 O THR A 65 11.253 -4.335 0.844 1.00 0.00 O ATOM 976 CB THR A 65 14.330 -2.778 -0.165 1.00 0.00 C ATOM 977 OG1 THR A 65 14.537 -1.429 -0.552 1.00 0.00 O ATOM 978 CG2 THR A 65 15.490 -3.539 -0.814 1.00 0.00 C ATOM 0 H THR A 65 12.091 -1.595 0.352 1.00 0.00 H new ATOM 0 HA THR A 65 13.012 -3.683 -1.568 1.00 0.00 H new ATOM 0 HB THR A 65 14.338 -2.923 0.915 1.00 0.00 H new ATOM 0 HG1 THR A 65 15.437 -1.146 -0.285 1.00 0.00 H new ATOM 0 HG21 THR A 65 16.436 -3.114 -0.480 1.00 0.00 H new ATOM 0 HG22 THR A 65 15.442 -4.589 -0.526 1.00 0.00 H new ATOM 0 HG23 THR A 65 15.418 -3.456 -1.898 1.00 0.00 H new ATOM 986 N GLY A 66 13.213 -5.399 0.676 1.00 0.00 N ATOM 987 CA GLY A 66 12.873 -6.409 1.663 1.00 0.00 C ATOM 988 C GLY A 66 11.796 -7.343 1.136 1.00 0.00 C ATOM 989 O GLY A 66 10.932 -7.786 1.893 1.00 0.00 O ATOM 0 H GLY A 66 14.123 -5.537 0.236 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.762 -6.983 1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.526 -5.927 2.577 1.00 0.00 H new ATOM 993 N LEU A 67 11.786 -7.589 -0.172 1.00 0.00 N ATOM 994 CA LEU A 67 11.034 -8.641 -0.826 1.00 0.00 C ATOM 995 C LEU A 67 11.965 -9.836 -1.018 1.00 0.00 C ATOM 996 O LEU A 67 13.187 -9.669 -1.046 1.00 0.00 O ATOM 997 CB LEU A 67 10.492 -8.106 -2.164 1.00 0.00 C ATOM 998 CG LEU A 67 8.952 -8.112 -2.226 1.00 0.00 C ATOM 999 CD1 LEU A 67 8.451 -6.921 -3.043 1.00 0.00 C ATOM 1000 CD2 LEU A 67 8.450 -9.417 -2.847 1.00 0.00 C ATOM 0 H LEU A 67 12.330 -7.030 -0.830 1.00 0.00 H new ATOM 0 HA LEU A 67 10.180 -8.961 -0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.854 -7.089 -2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.887 -8.712 -2.980 1.00 0.00 H new ATOM 0 HG LEU A 67 8.565 -8.033 -1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.362 -6.937 -3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.785 -5.994 -2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.848 -6.982 -4.056 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.361 -9.407 -2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.847 -9.515 -3.857 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.785 -10.260 -2.242 1.00 0.00 H new ATOM 1012 N GLU A 68 11.407 -11.036 -1.170 1.00 0.00 N ATOM 1013 CA GLU A 68 12.164 -12.253 -1.416 1.00 0.00 C ATOM 1014 C GLU A 68 11.334 -13.135 -2.355 1.00 0.00 C ATOM 1015 O GLU A 68 10.190 -13.431 -2.006 1.00 0.00 O ATOM 1016 CB GLU A 68 12.522 -12.931 -0.091 1.00 0.00 C ATOM 1017 CG GLU A 68 13.765 -13.816 -0.232 1.00 0.00 C ATOM 1018 CD GLU A 68 14.147 -14.469 1.097 1.00 0.00 C ATOM 1019 OE1 GLU A 68 14.815 -13.834 1.938 1.00 0.00 O ATOM 1020 OE2 GLU A 68 13.808 -15.660 1.319 1.00 0.00 O ATOM 0 H GLU A 68 10.399 -11.188 -1.124 1.00 0.00 H new ATOM 0 HA GLU A 68 13.117 -12.044 -1.902 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.699 -12.172 0.671 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.681 -13.535 0.249 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.579 -14.589 -0.977 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.599 -13.217 -0.596 1.00 0.00 H new ATOM 1027 N PRO A 69 11.831 -13.489 -3.554 1.00 0.00 N ATOM 1028 CA PRO A 69 11.021 -14.097 -4.610 1.00 0.00 C ATOM 1029 C PRO A 69 10.546 -15.515 -4.266 1.00 0.00 C ATOM 1030 O PRO A 69 10.916 -16.106 -3.248 1.00 0.00 O ATOM 1031 CB PRO A 69 11.921 -14.085 -5.856 1.00 0.00 C ATOM 1032 CG PRO A 69 13.331 -14.126 -5.275 1.00 0.00 C ATOM 1033 CD PRO A 69 13.191 -13.265 -4.026 1.00 0.00 C ATOM 0 HA PRO A 69 10.097 -13.539 -4.761 1.00 0.00 H new ATOM 0 HB2 PRO A 69 11.727 -14.943 -6.500 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.761 -13.191 -6.459 1.00 0.00 H new ATOM 0 HG2 PRO A 69 13.643 -15.143 -5.036 1.00 0.00 H new ATOM 0 HG3 PRO A 69 14.069 -13.721 -5.968 1.00 0.00 H new ATOM 0 HD2 PRO A 69 13.922 -13.549 -3.269 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.360 -12.212 -4.253 1.00 0.00 H new ATOM 1041 N GLY A 70 9.726 -16.080 -5.156 1.00 0.00 N ATOM 1042 CA GLY A 70 9.351 -17.490 -5.127 1.00 0.00 C ATOM 1043 C GLY A 70 8.103 -17.789 -4.301 1.00 0.00 C ATOM 1044 O GLY A 70 7.520 -18.861 -4.462 1.00 0.00 O ATOM 0 H GLY A 70 9.301 -15.562 -5.925 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.187 -17.832 -6.149 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.184 -18.068 -4.727 1.00 0.00 H new ATOM 1048 N ILE A 71 7.659 -16.848 -3.470 1.00 0.00 N ATOM 1049 CA ILE A 71 6.452 -16.909 -2.657 1.00 0.00 C ATOM 1050 C ILE A 71 5.567 -15.757 -3.149 1.00 0.00 C ATOM 1051 O ILE A 71 6.075 -14.760 -3.667 1.00 0.00 O ATOM 1052 CB ILE A 71 6.860 -16.836 -1.165 1.00 0.00 C ATOM 1053 CG1 ILE A 71 7.759 -18.018 -0.721 1.00 0.00 C ATOM 1054 CG2 ILE A 71 5.665 -16.694 -0.207 1.00 0.00 C ATOM 1055 CD1 ILE A 71 7.083 -19.394 -0.724 1.00 0.00 C ATOM 0 H ILE A 71 8.164 -15.972 -3.341 1.00 0.00 H new ATOM 0 HA ILE A 71 5.884 -17.835 -2.750 1.00 0.00 H new ATOM 0 HB ILE A 71 7.447 -15.920 -1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.629 -18.058 -1.377 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.127 -17.815 0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.026 -16.649 0.821 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.118 -15.780 -0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.003 -17.552 -0.322 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.797 -20.151 -0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.231 -19.382 -0.044 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.740 -19.629 -1.732 1.00 0.00 H new ATOM 1067 N ASP A 72 4.244 -15.904 -3.064 1.00 0.00 N ATOM 1068 CA ASP A 72 3.316 -14.824 -3.394 1.00 0.00 C ATOM 1069 C ASP A 72 3.219 -13.883 -2.191 1.00 0.00 C ATOM 1070 O ASP A 72 3.267 -14.338 -1.042 1.00 0.00 O ATOM 1071 CB ASP A 72 1.975 -15.412 -3.846 1.00 0.00 C ATOM 1072 CG ASP A 72 1.090 -14.383 -4.558 1.00 0.00 C ATOM 1073 OD1 ASP A 72 0.879 -13.285 -4.022 1.00 0.00 O ATOM 1074 OD2 ASP A 72 0.662 -14.668 -5.706 1.00 0.00 O ATOM 0 H ASP A 72 3.790 -16.768 -2.767 1.00 0.00 H new ATOM 0 HA ASP A 72 3.672 -14.229 -4.235 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.158 -16.253 -4.515 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.444 -15.804 -2.979 1.00 0.00 H new ATOM 1079 N TYR A 73 3.149 -12.578 -2.448 1.00 0.00 N ATOM 1080 CA TYR A 73 3.329 -11.492 -1.496 1.00 0.00 C ATOM 1081 C TYR A 73 2.098 -10.587 -1.565 1.00 0.00 C ATOM 1082 O TYR A 73 1.788 -10.032 -2.622 1.00 0.00 O ATOM 1083 CB TYR A 73 4.641 -10.742 -1.811 1.00 0.00 C ATOM 1084 CG TYR A 73 5.858 -11.157 -0.991 1.00 0.00 C ATOM 1085 CD1 TYR A 73 6.325 -12.486 -1.018 1.00 0.00 C ATOM 1086 CD2 TYR A 73 6.567 -10.198 -0.238 1.00 0.00 C ATOM 1087 CE1 TYR A 73 7.467 -12.855 -0.283 1.00 0.00 C ATOM 1088 CE2 TYR A 73 7.722 -10.556 0.481 1.00 0.00 C ATOM 1089 CZ TYR A 73 8.169 -11.895 0.475 1.00 0.00 C ATOM 1090 OH TYR A 73 9.276 -12.262 1.177 1.00 0.00 O ATOM 0 H TYR A 73 2.952 -12.233 -3.387 1.00 0.00 H new ATOM 0 HA TYR A 73 3.418 -11.866 -0.476 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.873 -10.883 -2.867 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.472 -9.676 -1.661 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.803 -13.226 -1.606 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.219 -9.176 -0.213 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.808 -13.880 -0.300 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.266 -9.807 1.037 1.00 0.00 H new ATOM 0 HH TYR A 73 9.641 -11.481 1.644 1.00 0.00 H new ATOM 1100 N ASP A 74 1.395 -10.428 -0.439 1.00 0.00 N ATOM 1101 CA ASP A 74 0.239 -9.555 -0.288 1.00 0.00 C ATOM 1102 C ASP A 74 0.821 -8.184 0.015 1.00 0.00 C ATOM 1103 O ASP A 74 1.328 -7.995 1.126 1.00 0.00 O ATOM 1104 CB ASP A 74 -0.610 -9.969 0.931 1.00 0.00 C ATOM 1105 CG ASP A 74 -1.752 -10.943 0.679 1.00 0.00 C ATOM 1106 OD1 ASP A 74 -2.530 -10.745 -0.285 1.00 0.00 O ATOM 1107 OD2 ASP A 74 -2.058 -11.726 1.611 1.00 0.00 O ATOM 0 H ASP A 74 1.629 -10.925 0.421 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.390 -9.589 -1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.055 -10.411 1.673 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.027 -9.066 1.376 1.00 0.00 H new ATOM 1112 N ILE A 75 0.806 -7.237 -0.925 1.00 0.00 N ATOM 1113 CA ILE A 75 1.139 -5.860 -0.584 1.00 0.00 C ATOM 1114 C ILE A 75 -0.169 -5.147 -0.273 1.00 0.00 C ATOM 1115 O ILE A 75 -0.983 -4.911 -1.170 1.00 0.00 O ATOM 1116 CB ILE A 75 1.985 -5.134 -1.646 1.00 0.00 C ATOM 1117 CG1 ILE A 75 3.195 -5.942 -2.162 1.00 0.00 C ATOM 1118 CG2 ILE A 75 2.359 -3.754 -1.068 1.00 0.00 C ATOM 1119 CD1 ILE A 75 2.990 -6.315 -3.627 1.00 0.00 C ATOM 0 H ILE A 75 0.572 -7.396 -1.905 1.00 0.00 H new ATOM 0 HA ILE A 75 1.792 -5.854 0.289 1.00 0.00 H new ATOM 0 HB ILE A 75 1.393 -5.010 -2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.107 -5.356 -2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.322 -6.844 -1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.961 -3.207 -1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.451 -3.192 -0.852 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.930 -3.887 -0.149 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.849 -6.885 -3.981 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.088 -6.919 -3.726 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.886 -5.408 -4.222 1.00 0.00 H new ATOM 1131 N SER A 76 -0.393 -4.848 1.004 1.00 0.00 N ATOM 1132 CA SER A 76 -1.500 -4.036 1.485 1.00 0.00 C ATOM 1133 C SER A 76 -1.045 -2.588 1.600 1.00 0.00 C ATOM 1134 O SER A 76 0.061 -2.329 2.060 1.00 0.00 O ATOM 1135 CB SER A 76 -1.998 -4.564 2.830 1.00 0.00 C ATOM 1136 OG SER A 76 -2.129 -5.982 2.851 1.00 0.00 O ATOM 0 H SER A 76 0.213 -5.177 1.755 1.00 0.00 H new ATOM 0 HA SER A 76 -2.329 -4.090 0.779 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.307 -4.256 3.615 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.963 -4.111 3.059 1.00 0.00 H new ATOM 0 HG SER A 76 -2.448 -6.268 3.732 1.00 0.00 H new ATOM 1142 N VAL A 77 -1.892 -1.642 1.212 1.00 0.00 N ATOM 1143 CA VAL A 77 -1.658 -0.210 1.245 1.00 0.00 C ATOM 1144 C VAL A 77 -2.974 0.377 1.741 1.00 0.00 C ATOM 1145 O VAL A 77 -3.984 0.320 1.034 1.00 0.00 O ATOM 1146 CB VAL A 77 -1.268 0.311 -0.156 1.00 0.00 C ATOM 1147 CG1 VAL A 77 -0.904 1.817 -0.160 1.00 0.00 C ATOM 1148 CG2 VAL A 77 -0.155 -0.551 -0.786 1.00 0.00 C ATOM 0 H VAL A 77 -2.815 -1.872 0.844 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.829 0.074 1.893 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.156 0.215 -0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.639 2.125 -1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.759 2.399 0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.057 1.988 0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.096 -0.158 -1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.729 -0.526 -0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.503 -1.579 -0.884 1.00 0.00 H new ATOM 1158 N ILE A 78 -2.999 0.888 2.966 1.00 0.00 N ATOM 1159 CA ILE A 78 -4.182 1.484 3.564 1.00 0.00 C ATOM 1160 C ILE A 78 -3.955 2.989 3.581 1.00 0.00 C ATOM 1161 O ILE A 78 -2.893 3.476 3.980 1.00 0.00 O ATOM 1162 CB ILE A 78 -4.461 0.903 4.966 1.00 0.00 C ATOM 1163 CG1 ILE A 78 -4.472 -0.643 4.911 1.00 0.00 C ATOM 1164 CG2 ILE A 78 -5.799 1.469 5.486 1.00 0.00 C ATOM 1165 CD1 ILE A 78 -4.979 -1.302 6.193 1.00 0.00 C ATOM 0 H ILE A 78 -2.184 0.899 3.579 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.075 1.253 2.984 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.671 1.195 5.658 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.097 -0.963 4.077 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.462 -0.997 4.706 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.005 1.064 6.477 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.736 2.556 5.544 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.602 1.188 4.805 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.957 -2.386 6.078 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.341 -1.013 7.028 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.001 -0.978 6.389 1.00 0.00 H new ATOM 1177 N THR A 79 -4.978 3.726 3.166 1.00 0.00 N ATOM 1178 CA THR A 79 -4.999 5.170 3.295 1.00 0.00 C ATOM 1179 C THR A 79 -5.728 5.522 4.584 1.00 0.00 C ATOM 1180 O THR A 79 -6.818 4.998 4.856 1.00 0.00 O ATOM 1181 CB THR A 79 -5.675 5.812 2.081 1.00 0.00 C ATOM 1182 OG1 THR A 79 -4.932 5.597 0.906 1.00 0.00 O ATOM 1183 CG2 THR A 79 -5.747 7.332 2.273 1.00 0.00 C ATOM 0 H THR A 79 -5.814 3.336 2.731 1.00 0.00 H new ATOM 0 HA THR A 79 -3.981 5.558 3.335 1.00 0.00 H new ATOM 0 HB THR A 79 -6.664 5.363 1.992 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.522 5.250 0.205 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.229 7.786 1.407 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.324 7.559 3.169 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.739 7.733 2.379 1.00 0.00 H new ATOM 1191 N LEU A 80 -5.140 6.446 5.338 1.00 0.00 N ATOM 1192 CA LEU A 80 -5.658 6.969 6.580 1.00 0.00 C ATOM 1193 C LEU A 80 -5.799 8.479 6.425 1.00 0.00 C ATOM 1194 O LEU A 80 -4.867 9.169 5.999 1.00 0.00 O ATOM 1195 CB LEU A 80 -4.747 6.632 7.761 1.00 0.00 C ATOM 1196 CG LEU A 80 -3.229 6.627 7.488 1.00 0.00 C ATOM 1197 CD1 LEU A 80 -2.496 7.119 8.737 1.00 0.00 C ATOM 1198 CD2 LEU A 80 -2.747 5.225 7.123 1.00 0.00 C ATOM 0 H LEU A 80 -4.247 6.865 5.079 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.624 6.512 6.793 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.946 7.347 8.559 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.028 5.648 8.137 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.018 7.288 6.647 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.422 7.118 8.552 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.823 8.131 8.976 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.720 6.458 9.574 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.674 5.247 6.935 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.957 4.542 7.946 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.265 4.884 6.227 1.00 0.00 H new ATOM 1210 N ILE A 81 -6.978 8.990 6.757 1.00 0.00 N ATOM 1211 CA ILE A 81 -7.316 10.406 6.694 1.00 0.00 C ATOM 1212 C ILE A 81 -7.613 10.876 8.119 1.00 0.00 C ATOM 1213 O ILE A 81 -7.535 10.074 9.050 1.00 0.00 O ATOM 1214 CB ILE A 81 -8.435 10.682 5.652 1.00 0.00 C ATOM 1215 CG1 ILE A 81 -9.865 10.418 6.168 1.00 0.00 C ATOM 1216 CG2 ILE A 81 -8.196 9.861 4.371 1.00 0.00 C ATOM 1217 CD1 ILE A 81 -10.963 10.989 5.260 1.00 0.00 C ATOM 0 H ILE A 81 -7.750 8.411 7.088 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.482 11.001 6.322 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.373 11.750 5.442 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -10.012 9.343 6.270 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.968 10.850 7.164 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.990 10.068 3.653 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.234 10.135 3.937 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.195 8.799 4.615 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.941 10.765 5.686 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.842 12.069 5.178 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.887 10.539 4.270 1.00 0.00 H new ATOM 1229 N ASN A 82 -7.943 12.163 8.292 1.00 0.00 N ATOM 1230 CA ASN A 82 -8.472 12.705 9.545 1.00 0.00 C ATOM 1231 C ASN A 82 -9.450 11.708 10.161 1.00 0.00 C ATOM 1232 O ASN A 82 -10.501 11.476 9.565 1.00 0.00 O ATOM 1233 CB ASN A 82 -9.174 14.051 9.300 1.00 0.00 C ATOM 1234 CG ASN A 82 -10.183 14.386 10.397 1.00 0.00 C ATOM 1235 OD1 ASN A 82 -9.853 14.988 11.417 1.00 0.00 O ATOM 1236 ND2 ASN A 82 -11.425 13.975 10.222 1.00 0.00 N ATOM 0 H ASN A 82 -7.848 12.863 7.556 1.00 0.00 H new ATOM 0 HA ASN A 82 -7.644 12.872 10.233 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -8.427 14.843 9.242 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.684 14.023 8.337 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -12.128 14.156 10.939 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -11.682 13.477 9.370 1.00 0.00 H new ATOM 1243 N GLY A 83 -9.066 11.141 11.310 1.00 0.00 N ATOM 1244 CA GLY A 83 -9.769 10.109 12.056 1.00 0.00 C ATOM 1245 C GLY A 83 -10.692 9.262 11.192 1.00 0.00 C ATOM 1246 O GLY A 83 -11.907 9.288 11.401 1.00 0.00 O ATOM 0 H GLY A 83 -8.197 11.414 11.768 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.039 9.460 12.540 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.353 10.578 12.848 1.00 0.00 H new ATOM 1250 N GLY A 84 -10.129 8.574 10.199 1.00 0.00 N ATOM 1251 CA GLY A 84 -10.893 7.799 9.248 1.00 0.00 C ATOM 1252 C GLY A 84 -9.956 6.893 8.463 1.00 0.00 C ATOM 1253 O GLY A 84 -8.829 7.273 8.134 1.00 0.00 O ATOM 0 H GLY A 84 -9.122 8.545 10.039 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.643 7.202 9.768 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.429 8.462 8.569 1.00 0.00 H new ATOM 1257 N GLU A 85 -10.434 5.703 8.124 1.00 0.00 N ATOM 1258 CA GLU A 85 -9.687 4.670 7.422 1.00 0.00 C ATOM 1259 C GLU A 85 -10.451 4.317 6.151 1.00 0.00 C ATOM 1260 O GLU A 85 -11.685 4.271 6.150 1.00 0.00 O ATOM 1261 CB GLU A 85 -9.507 3.464 8.354 1.00 0.00 C ATOM 1262 CG GLU A 85 -8.676 2.339 7.717 1.00 0.00 C ATOM 1263 CD GLU A 85 -8.346 1.200 8.689 1.00 0.00 C ATOM 1264 OE1 GLU A 85 -8.814 1.226 9.852 1.00 0.00 O ATOM 1265 OE2 GLU A 85 -7.530 0.323 8.322 1.00 0.00 O ATOM 0 H GLU A 85 -11.390 5.421 8.339 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.691 5.011 7.138 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.023 3.791 9.274 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.487 3.074 8.630 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.221 1.933 6.865 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.747 2.758 7.331 1.00 0.00 H new ATOM 1272 N SER A 86 -9.718 4.095 5.062 1.00 0.00 N ATOM 1273 CA SER A 86 -10.295 3.847 3.750 1.00 0.00 C ATOM 1274 C SER A 86 -10.648 2.363 3.584 1.00 0.00 C ATOM 1275 O SER A 86 -10.588 1.572 4.530 1.00 0.00 O ATOM 1276 CB SER A 86 -9.355 4.359 2.661 1.00 0.00 C ATOM 1277 OG SER A 86 -8.777 5.597 3.029 1.00 0.00 O ATOM 0 H SER A 86 -8.698 4.083 5.069 1.00 0.00 H new ATOM 0 HA SER A 86 -11.230 4.399 3.654 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.569 3.626 2.481 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.904 4.474 1.726 1.00 0.00 H new ATOM 0 HG SER A 86 -8.066 5.444 3.686 1.00 0.00 H new ATOM 1283 N ALA A 87 -11.002 1.965 2.363 1.00 0.00 N ATOM 1284 CA ALA A 87 -10.949 0.564 1.975 1.00 0.00 C ATOM 1285 C ALA A 87 -9.471 0.142 2.008 1.00 0.00 C ATOM 1286 O ALA A 87 -8.652 0.908 1.499 1.00 0.00 O ATOM 1287 CB ALA A 87 -11.507 0.423 0.559 1.00 0.00 C ATOM 0 H ALA A 87 -11.327 2.595 1.629 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.537 -0.063 2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.472 -0.624 0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.539 0.773 0.538 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.908 1.019 -0.129 1.00 0.00 H new ATOM 1293 N PRO A 88 -9.091 -1.013 2.573 1.00 0.00 N ATOM 1294 CA PRO A 88 -7.713 -1.494 2.566 1.00 0.00 C ATOM 1295 C PRO A 88 -7.351 -2.072 1.192 1.00 0.00 C ATOM 1296 O PRO A 88 -7.813 -3.155 0.821 1.00 0.00 O ATOM 1297 CB PRO A 88 -7.651 -2.549 3.671 1.00 0.00 C ATOM 1298 CG PRO A 88 -9.076 -3.099 3.715 1.00 0.00 C ATOM 1299 CD PRO A 88 -9.933 -1.882 3.377 1.00 0.00 C ATOM 0 HA PRO A 88 -6.992 -0.697 2.748 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.926 -3.330 3.441 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.359 -2.114 4.626 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.219 -3.904 2.994 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.321 -3.503 4.697 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.828 -2.175 2.829 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -10.266 -1.375 4.283 1.00 0.00 H new ATOM 1307 N THR A 89 -6.525 -1.364 0.423 1.00 0.00 N ATOM 1308 CA THR A 89 -6.193 -1.769 -0.934 1.00 0.00 C ATOM 1309 C THR A 89 -5.043 -2.773 -0.858 1.00 0.00 C ATOM 1310 O THR A 89 -3.912 -2.384 -0.572 1.00 0.00 O ATOM 1311 CB THR A 89 -5.834 -0.545 -1.804 1.00 0.00 C ATOM 1312 OG1 THR A 89 -6.534 0.611 -1.377 1.00 0.00 O ATOM 1313 CG2 THR A 89 -6.165 -0.823 -3.272 1.00 0.00 C ATOM 0 H THR A 89 -6.072 -0.501 0.724 1.00 0.00 H new ATOM 0 HA THR A 89 -7.053 -2.240 -1.410 1.00 0.00 H new ATOM 0 HB THR A 89 -4.764 -0.365 -1.697 1.00 0.00 H new ATOM 0 HG1 THR A 89 -6.723 1.183 -2.150 1.00 0.00 H new ATOM 0 HG21 THR A 89 -5.907 0.048 -3.874 1.00 0.00 H new ATOM 0 HG22 THR A 89 -5.594 -1.685 -3.617 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.230 -1.030 -3.372 1.00 0.00 H new ATOM 1321 N THR A 90 -5.312 -4.057 -1.091 1.00 0.00 N ATOM 1322 CA THR A 90 -4.272 -5.075 -1.154 1.00 0.00 C ATOM 1323 C THR A 90 -4.233 -5.633 -2.567 1.00 0.00 C ATOM 1324 O THR A 90 -5.272 -5.979 -3.133 1.00 0.00 O ATOM 1325 CB THR A 90 -4.487 -6.151 -0.077 1.00 0.00 C ATOM 1326 OG1 THR A 90 -4.448 -5.540 1.197 1.00 0.00 O ATOM 1327 CG2 THR A 90 -3.426 -7.263 -0.095 1.00 0.00 C ATOM 0 H THR A 90 -6.255 -4.417 -1.241 1.00 0.00 H new ATOM 0 HA THR A 90 -3.296 -4.641 -0.935 1.00 0.00 H new ATOM 0 HB THR A 90 -5.452 -6.611 -0.290 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.684 -5.887 1.703 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.643 -7.985 0.692 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.441 -7.765 -1.063 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.441 -6.828 0.073 1.00 0.00 H new ATOM 1335 N LEU A 91 -3.029 -5.738 -3.127 1.00 0.00 N ATOM 1336 CA LEU A 91 -2.757 -6.400 -4.391 1.00 0.00 C ATOM 1337 C LEU A 91 -1.687 -7.454 -4.137 1.00 0.00 C ATOM 1338 O LEU A 91 -0.544 -7.127 -3.823 1.00 0.00 O ATOM 1339 CB LEU A 91 -2.437 -5.397 -5.510 1.00 0.00 C ATOM 1340 CG LEU A 91 -3.688 -4.940 -6.283 1.00 0.00 C ATOM 1341 CD1 LEU A 91 -3.373 -3.672 -7.083 1.00 0.00 C ATOM 1342 CD2 LEU A 91 -4.175 -6.031 -7.246 1.00 0.00 C ATOM 0 H LEU A 91 -2.191 -5.350 -2.694 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.643 -6.910 -4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.944 -4.525 -5.079 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.732 -5.851 -6.206 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.474 -4.738 -5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.263 -3.355 -7.627 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.063 -2.880 -6.402 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.569 -3.878 -7.790 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.059 -5.679 -7.777 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.388 -6.260 -7.964 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.424 -6.930 -6.682 1.00 0.00 H new ATOM 1354 N THR A 92 -2.114 -8.714 -4.161 1.00 0.00 N ATOM 1355 CA THR A 92 -1.273 -9.897 -4.070 1.00 0.00 C ATOM 1356 C THR A 92 -0.653 -10.173 -5.442 1.00 0.00 C ATOM 1357 O THR A 92 -1.314 -9.941 -6.466 1.00 0.00 O ATOM 1358 CB THR A 92 -2.162 -11.050 -3.557 1.00 0.00 C ATOM 1359 OG1 THR A 92 -1.558 -11.637 -2.449 1.00 0.00 O ATOM 1360 CG2 THR A 92 -2.455 -12.220 -4.490 1.00 0.00 C ATOM 0 H THR A 92 -3.104 -8.945 -4.249 1.00 0.00 H new ATOM 0 HA THR A 92 -0.443 -9.771 -3.375 1.00 0.00 H new ATOM 0 HB THR A 92 -3.109 -10.538 -3.386 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.159 -11.574 -1.677 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.091 -12.942 -3.979 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.964 -11.855 -5.382 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.519 -12.700 -4.777 1.00 0.00 H new ATOM 1368 N GLN A 93 0.588 -10.660 -5.482 1.00 0.00 N ATOM 1369 CA GLN A 93 1.178 -11.290 -6.656 1.00 0.00 C ATOM 1370 C GLN A 93 2.458 -12.049 -6.280 1.00 0.00 C ATOM 1371 O GLN A 93 3.117 -11.762 -5.276 1.00 0.00 O ATOM 1372 CB GLN A 93 1.471 -10.255 -7.770 1.00 0.00 C ATOM 1373 CG GLN A 93 0.614 -10.439 -9.030 1.00 0.00 C ATOM 1374 CD GLN A 93 0.647 -11.873 -9.544 1.00 0.00 C ATOM 1375 OE1 GLN A 93 1.694 -12.405 -9.890 1.00 0.00 O ATOM 1376 NE2 GLN A 93 -0.483 -12.557 -9.559 1.00 0.00 N ATOM 0 H GLN A 93 1.220 -10.625 -4.682 1.00 0.00 H new ATOM 0 HA GLN A 93 0.451 -12.003 -7.046 1.00 0.00 H new ATOM 0 HB2 GLN A 93 1.307 -9.253 -7.374 1.00 0.00 H new ATOM 0 HB3 GLN A 93 2.524 -10.320 -8.046 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.416 -10.157 -8.811 1.00 0.00 H new ATOM 0 HG3 GLN A 93 0.970 -9.767 -9.811 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.353 -12.110 -9.270 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.485 -13.532 -9.860 1.00 0.00 H new ATOM 1385 N GLN A 94 2.869 -12.978 -7.143 1.00 0.00 N ATOM 1386 CA GLN A 94 4.129 -13.685 -7.011 1.00 0.00 C ATOM 1387 C GLN A 94 5.174 -12.940 -7.818 1.00 0.00 C ATOM 1388 O GLN A 94 5.053 -12.868 -9.042 1.00 0.00 O ATOM 1389 CB GLN A 94 3.932 -15.142 -7.430 1.00 0.00 C ATOM 1390 CG GLN A 94 5.052 -16.062 -6.926 1.00 0.00 C ATOM 1391 CD GLN A 94 4.572 -17.506 -6.851 1.00 0.00 C ATOM 1392 OE1 GLN A 94 4.661 -18.273 -7.809 1.00 0.00 O ATOM 1393 NE2 GLN A 94 3.999 -17.903 -5.728 1.00 0.00 N ATOM 0 H GLN A 94 2.326 -13.259 -7.960 1.00 0.00 H new ATOM 0 HA GLN A 94 4.483 -13.715 -5.980 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.975 -15.499 -7.048 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.883 -15.199 -8.517 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.912 -15.994 -7.592 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.384 -15.733 -5.941 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.928 -17.262 -4.937 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.628 -18.850 -5.652 1.00 0.00 H new ATOM 1402 N THR A 95 6.145 -12.344 -7.136 1.00 0.00 N ATOM 1403 CA THR A 95 7.097 -11.421 -7.718 1.00 0.00 C ATOM 1404 C THR A 95 8.471 -11.990 -7.444 1.00 0.00 C ATOM 1405 O THR A 95 9.038 -11.759 -6.349 1.00 0.00 O ATOM 1406 CB THR A 95 6.843 -10.012 -7.159 1.00 0.00 C ATOM 1407 OG1 THR A 95 6.724 -10.050 -5.751 1.00 0.00 O ATOM 1408 CG2 THR A 95 5.563 -9.404 -7.744 1.00 0.00 C ATOM 1409 OXT THR A 95 8.962 -12.721 -8.323 1.00 0.00 O ATOM 0 H THR A 95 6.291 -12.497 -6.138 1.00 0.00 H new ATOM 0 HA THR A 95 6.999 -11.310 -8.798 1.00 0.00 H new ATOM 0 HB THR A 95 7.695 -9.394 -7.442 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.427 -10.622 -5.379 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.411 -8.408 -7.329 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.655 -9.336 -8.828 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.712 -10.036 -7.491 1.00 0.00 H new TER 1417 THR A 95