USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 967 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 94 LYS NZ :NH3+ -150:sc= 0.466 (180deg=-0.00219) USER MOD Set 1.2: A 107 HIS : no HE2:sc= 0.122 K(o=0.61,f=-2.1) USER MOD Set 1.3: A 111 ASN : amide:sc= 0.0268 X(o=0.61,f=0.46) USER MOD Set 2.1: A 36 MET CE :methyl 144:sc= -0.157 (180deg=-1.09) USER MOD Set 2.2: A 41 GLN : amide:sc=-0.00903 K(o=-0.17,f=-3.2!) USER MOD Set 2.3: A 51 MET CE :methyl -159:sc= 0 (180deg=-0.254) USER MOD Single : A 5 THR OG1 : rot -30:sc= 0.262 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.00724 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -61:sc= 0.488 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 86:sc= 1.2 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0349 X(o=-0.035,f=-0.035) USER MOD Single : A 44 THR OG1 : rot -82:sc= 1.22 USER MOD Single : A 49 GLN : amide:sc= -0.118 K(o=-0.12,f=-0.99) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 60 ASN : amide:sc= 0.271 K(o=0.27,f=-6.4!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -179:sc= 0 (180deg=-0.00196) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0.558 K(o=0.56,f=-6.6!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0.0497 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 18:sc= 0.479 USER MOD Single : A 115 LYS NZ :NH3+ -163:sc= -0.0883 (180deg=-0.406) USER MOD Single : A 117 THR OG1 : rot -73:sc= 1.24 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 137 ASN : amide:sc= -0.0623 K(o=-0.062,f=-5.9!) USER MOD Single : A 138 TYR OH : rot 180:sc= -0.0485 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl -178:sc=-0.00794 (180deg=-0.0131) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -14.669 17.928 1.351 1.00 0.00 N ATOM 59 CA THR A 5 -14.832 18.859 0.278 1.00 0.00 C ATOM 60 C THR A 5 -15.707 18.220 -0.745 1.00 0.00 C ATOM 61 O THR A 5 -15.751 16.998 -0.881 1.00 0.00 O ATOM 62 CB THR A 5 -13.573 19.238 -0.444 1.00 0.00 C ATOM 63 OG1 THR A 5 -12.722 18.108 -0.569 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.820 20.375 0.268 1.00 0.00 C ATOM 0 HA THR A 5 -15.233 19.764 0.735 1.00 0.00 H new ATOM 0 HB THR A 5 -13.861 19.595 -1.433 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.868 17.503 0.188 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.915 20.617 -0.289 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.459 21.256 0.323 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.552 20.058 1.276 1.00 0.00 H new ATOM 72 N GLU A 6 -16.544 19.028 -1.420 1.00 0.00 N ATOM 73 CA GLU A 6 -17.498 18.605 -2.398 1.00 0.00 C ATOM 74 C GLU A 6 -17.011 17.657 -3.439 1.00 0.00 C ATOM 75 O GLU A 6 -17.694 16.641 -3.561 1.00 0.00 O ATOM 76 CB GLU A 6 -18.159 19.818 -3.074 1.00 0.00 C ATOM 77 CG GLU A 6 -19.025 20.684 -2.156 1.00 0.00 C ATOM 78 CD GLU A 6 -20.023 19.909 -1.307 1.00 0.00 C ATOM 79 OE1 GLU A 6 -20.842 19.156 -1.898 1.00 0.00 O ATOM 80 OE2 GLU A 6 -20.095 20.055 -0.057 1.00 0.00 O ATOM 0 H GLU A 6 -16.555 20.037 -1.274 1.00 0.00 H new ATOM 0 HA GLU A 6 -18.220 18.032 -1.816 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.378 20.443 -3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.776 19.462 -3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.372 21.255 -1.495 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -19.570 21.404 -2.766 1.00 0.00 H new ATOM 87 N GLU A 7 -15.857 17.959 -4.060 1.00 0.00 N ATOM 88 CA GLU A 7 -15.076 17.097 -4.892 1.00 0.00 C ATOM 89 C GLU A 7 -14.720 15.774 -4.305 1.00 0.00 C ATOM 90 O GLU A 7 -14.784 14.766 -5.007 1.00 0.00 O ATOM 91 CB GLU A 7 -13.890 17.893 -5.461 1.00 0.00 C ATOM 92 CG GLU A 7 -12.834 18.100 -4.374 1.00 0.00 C ATOM 93 CD GLU A 7 -11.573 18.843 -4.790 1.00 0.00 C ATOM 94 OE1 GLU A 7 -11.299 18.933 -6.016 1.00 0.00 O ATOM 95 OE2 GLU A 7 -10.845 19.453 -3.962 1.00 0.00 O ATOM 0 H GLU A 7 -15.436 18.884 -3.972 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.710 16.779 -5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.455 17.360 -6.306 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.234 18.857 -5.835 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.295 18.644 -3.549 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.544 17.123 -3.989 1.00 0.00 H new ATOM 102 N GLN A 8 -14.334 15.642 -3.023 1.00 0.00 N ATOM 103 CA GLN A 8 -14.008 14.399 -2.398 1.00 0.00 C ATOM 104 C GLN A 8 -15.300 13.707 -2.130 1.00 0.00 C ATOM 105 O GLN A 8 -15.398 12.504 -2.367 1.00 0.00 O ATOM 106 CB GLN A 8 -13.196 14.519 -1.097 1.00 0.00 C ATOM 107 CG GLN A 8 -11.833 15.129 -1.431 1.00 0.00 C ATOM 108 CD GLN A 8 -10.878 15.328 -0.264 1.00 0.00 C ATOM 109 OE1 GLN A 8 -10.839 14.407 0.551 1.00 0.00 O ATOM 110 NE2 GLN A 8 -10.040 16.398 -0.202 1.00 0.00 N ATOM 0 H GLN A 8 -14.245 16.440 -2.394 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.357 13.844 -3.073 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.724 15.144 -0.377 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.070 13.539 -0.637 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.344 14.491 -2.168 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.998 16.096 -1.906 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.107 17.140 -0.899 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.344 16.459 0.542 1.00 0.00 H new ATOM 119 N ILE A 9 -16.398 14.361 -1.710 1.00 0.00 N ATOM 120 CA ILE A 9 -17.699 13.784 -1.572 1.00 0.00 C ATOM 121 C ILE A 9 -18.205 13.170 -2.832 1.00 0.00 C ATOM 122 O ILE A 9 -18.692 12.041 -2.784 1.00 0.00 O ATOM 123 CB ILE A 9 -18.725 14.718 -1.003 1.00 0.00 C ATOM 124 CG1 ILE A 9 -18.363 15.097 0.442 1.00 0.00 C ATOM 125 CG2 ILE A 9 -20.104 14.037 -1.029 1.00 0.00 C ATOM 126 CD1 ILE A 9 -19.168 16.258 1.026 1.00 0.00 C ATOM 0 H ILE A 9 -16.376 15.348 -1.452 1.00 0.00 H new ATOM 0 HA ILE A 9 -17.551 12.988 -0.843 1.00 0.00 H new ATOM 0 HB ILE A 9 -18.751 15.626 -1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -18.502 14.222 1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -17.304 15.353 0.480 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -20.852 14.714 -0.616 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -20.368 13.789 -2.057 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -20.071 13.125 -0.433 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -18.841 16.450 2.048 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -19.011 17.151 0.421 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -20.228 16.002 1.027 1.00 0.00 H new ATOM 138 N ALA A 10 -18.137 13.880 -3.972 1.00 0.00 N ATOM 139 CA ALA A 10 -18.568 13.524 -5.289 1.00 0.00 C ATOM 140 C ALA A 10 -17.932 12.278 -5.801 1.00 0.00 C ATOM 141 O ALA A 10 -18.683 11.370 -6.155 1.00 0.00 O ATOM 142 CB ALA A 10 -18.188 14.756 -6.127 1.00 0.00 C ATOM 0 H ALA A 10 -17.730 14.815 -3.966 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.632 13.291 -5.324 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.475 14.592 -7.166 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.707 15.633 -5.741 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.112 14.917 -6.070 1.00 0.00 H new ATOM 148 N GLU A 11 -16.594 12.167 -5.718 1.00 0.00 N ATOM 149 CA GLU A 11 -15.871 10.986 -6.072 1.00 0.00 C ATOM 150 C GLU A 11 -16.139 9.773 -5.249 1.00 0.00 C ATOM 151 O GLU A 11 -16.206 8.661 -5.769 1.00 0.00 O ATOM 152 CB GLU A 11 -14.345 11.155 -5.976 1.00 0.00 C ATOM 153 CG GLU A 11 -13.780 12.275 -6.852 1.00 0.00 C ATOM 154 CD GLU A 11 -14.156 12.046 -8.309 1.00 0.00 C ATOM 155 OE1 GLU A 11 -13.606 11.040 -8.830 1.00 0.00 O ATOM 156 OE2 GLU A 11 -14.823 12.888 -8.968 1.00 0.00 O ATOM 0 H GLU A 11 -15.995 12.926 -5.393 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.233 10.842 -7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.077 11.351 -4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.869 10.215 -6.256 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.166 13.238 -6.517 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.695 12.313 -6.751 1.00 0.00 H new ATOM 163 N PHE A 12 -16.264 9.918 -3.918 1.00 0.00 N ATOM 164 CA PHE A 12 -16.555 8.792 -3.086 1.00 0.00 C ATOM 165 C PHE A 12 -17.904 8.211 -3.336 1.00 0.00 C ATOM 166 O PHE A 12 -18.059 6.999 -3.476 1.00 0.00 O ATOM 167 CB PHE A 12 -16.334 9.251 -1.634 1.00 0.00 C ATOM 168 CG PHE A 12 -14.913 9.551 -1.302 1.00 0.00 C ATOM 169 CD1 PHE A 12 -13.832 9.144 -2.048 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.772 10.267 -0.136 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.584 9.621 -1.722 1.00 0.00 C ATOM 172 CE2 PHE A 12 -13.523 10.694 0.250 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.479 10.404 -0.597 1.00 0.00 C ATOM 0 H PHE A 12 -16.165 10.804 -3.422 1.00 0.00 H new ATOM 0 HA PHE A 12 -15.888 7.961 -3.318 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.935 10.142 -1.450 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.698 8.476 -0.960 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -13.961 8.462 -2.875 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -15.636 10.492 0.472 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.720 9.389 -2.327 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.369 11.231 1.174 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.510 10.820 -0.362 1.00 0.00 H new ATOM 183 N LYS A 13 -18.849 9.142 -3.560 1.00 0.00 N ATOM 184 CA LYS A 13 -20.177 8.732 -3.895 1.00 0.00 C ATOM 185 C LYS A 13 -20.272 8.134 -5.256 1.00 0.00 C ATOM 186 O LYS A 13 -21.066 7.206 -5.405 1.00 0.00 O ATOM 187 CB LYS A 13 -21.102 9.960 -3.840 1.00 0.00 C ATOM 188 CG LYS A 13 -22.579 9.590 -3.689 1.00 0.00 C ATOM 189 CD LYS A 13 -23.429 10.751 -3.168 1.00 0.00 C ATOM 190 CE LYS A 13 -23.644 11.858 -4.202 1.00 0.00 C ATOM 191 NZ LYS A 13 -24.593 12.822 -3.601 1.00 0.00 N ATOM 0 H LYS A 13 -18.701 10.150 -3.511 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.472 7.968 -3.176 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.805 10.595 -3.005 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -20.971 10.547 -4.749 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -22.968 9.265 -4.654 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -22.670 8.744 -3.007 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -24.399 10.368 -2.850 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -22.949 11.176 -2.286 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -22.701 12.346 -4.449 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -24.044 11.449 -5.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -24.771 13.597 -4.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -25.488 12.339 -3.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -24.187 13.208 -2.725 1.00 0.00 H new ATOM 205 N GLU A 14 -19.493 8.568 -6.263 1.00 0.00 N ATOM 206 CA GLU A 14 -19.302 7.741 -7.414 1.00 0.00 C ATOM 207 C GLU A 14 -18.726 6.375 -7.263 1.00 0.00 C ATOM 208 O GLU A 14 -19.265 5.495 -7.931 1.00 0.00 O ATOM 209 CB GLU A 14 -18.558 8.448 -8.559 1.00 0.00 C ATOM 210 CG GLU A 14 -19.235 9.782 -8.877 1.00 0.00 C ATOM 211 CD GLU A 14 -18.996 10.202 -10.320 1.00 0.00 C ATOM 212 OE1 GLU A 14 -17.950 10.834 -10.626 1.00 0.00 O ATOM 213 OE2 GLU A 14 -19.874 9.865 -11.159 1.00 0.00 O ATOM 0 H GLU A 14 -19.008 9.465 -6.283 1.00 0.00 H new ATOM 0 HA GLU A 14 -20.353 7.568 -7.644 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -17.518 8.616 -8.279 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.551 7.814 -9.445 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.306 9.700 -8.694 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -18.855 10.552 -8.206 1.00 0.00 H new ATOM 220 N ALA A 15 -17.778 6.143 -6.337 1.00 0.00 N ATOM 221 CA ALA A 15 -17.236 4.840 -6.105 1.00 0.00 C ATOM 222 C ALA A 15 -18.227 3.995 -5.383 1.00 0.00 C ATOM 223 O ALA A 15 -18.204 2.772 -5.517 1.00 0.00 O ATOM 224 CB ALA A 15 -15.994 4.926 -5.202 1.00 0.00 C ATOM 0 H ALA A 15 -17.382 6.870 -5.741 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.983 4.414 -7.076 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.595 3.925 -5.036 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.236 5.544 -5.684 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.270 5.370 -4.245 1.00 0.00 H new ATOM 230 N PHE A 16 -19.144 4.625 -4.627 1.00 0.00 N ATOM 231 CA PHE A 16 -20.171 3.919 -3.927 1.00 0.00 C ATOM 232 C PHE A 16 -21.111 3.369 -4.945 1.00 0.00 C ATOM 233 O PHE A 16 -21.600 2.241 -4.941 1.00 0.00 O ATOM 234 CB PHE A 16 -20.972 4.865 -3.016 1.00 0.00 C ATOM 235 CG PHE A 16 -21.626 4.148 -1.886 1.00 0.00 C ATOM 236 CD1 PHE A 16 -22.825 3.508 -2.097 1.00 0.00 C ATOM 237 CD2 PHE A 16 -21.017 4.141 -0.653 1.00 0.00 C ATOM 238 CE1 PHE A 16 -23.379 2.785 -1.066 1.00 0.00 C ATOM 239 CE2 PHE A 16 -21.609 3.437 0.369 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.809 2.790 0.185 1.00 0.00 C ATOM 0 H PHE A 16 -19.173 5.637 -4.500 1.00 0.00 H new ATOM 0 HA PHE A 16 -19.715 3.140 -3.316 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.307 5.632 -2.619 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.732 5.376 -3.607 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.322 3.572 -3.054 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -20.094 4.677 -0.491 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.273 2.206 -1.242 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -21.124 3.391 1.333 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.296 2.293 1.011 1.00 0.00 H new ATOM 250 N SER A 17 -21.606 4.148 -5.923 1.00 0.00 N ATOM 251 CA SER A 17 -22.514 3.633 -6.900 1.00 0.00 C ATOM 252 C SER A 17 -21.993 2.576 -7.812 1.00 0.00 C ATOM 253 O SER A 17 -22.769 1.734 -8.260 1.00 0.00 O ATOM 254 CB SER A 17 -23.077 4.733 -7.816 1.00 0.00 C ATOM 255 OG SER A 17 -23.322 5.897 -7.039 1.00 0.00 O ATOM 0 H SER A 17 -21.377 5.135 -6.037 1.00 0.00 H new ATOM 0 HA SER A 17 -23.272 3.185 -6.258 1.00 0.00 H new ATOM 0 HB2 SER A 17 -22.371 4.955 -8.616 1.00 0.00 H new ATOM 0 HB3 SER A 17 -23.999 4.395 -8.289 1.00 0.00 H new ATOM 0 HG SER A 17 -23.680 6.605 -7.614 1.00 0.00 H new ATOM 261 N LEU A 18 -20.671 2.614 -8.056 1.00 0.00 N ATOM 262 CA LEU A 18 -19.953 1.520 -8.633 1.00 0.00 C ATOM 263 C LEU A 18 -19.966 0.197 -7.948 1.00 0.00 C ATOM 264 O LEU A 18 -19.938 -0.836 -8.616 1.00 0.00 O ATOM 265 CB LEU A 18 -18.518 1.878 -9.056 1.00 0.00 C ATOM 266 CG LEU A 18 -18.455 2.918 -10.188 1.00 0.00 C ATOM 267 CD1 LEU A 18 -16.994 3.305 -10.472 1.00 0.00 C ATOM 268 CD2 LEU A 18 -19.112 2.526 -11.522 1.00 0.00 C ATOM 0 H LEU A 18 -20.087 3.424 -7.847 1.00 0.00 H new ATOM 0 HA LEU A 18 -20.581 1.357 -9.509 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -17.977 2.261 -8.191 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -18.005 0.971 -9.377 1.00 0.00 H new ATOM 0 HG LEU A 18 -19.045 3.749 -9.801 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -16.962 4.041 -11.275 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -16.549 3.730 -9.572 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -16.434 2.419 -10.770 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -19.000 3.342 -12.236 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -18.631 1.631 -11.915 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -20.172 2.327 -11.361 1.00 0.00 H new ATOM 280 N PHE A 19 -20.223 0.227 -6.628 1.00 0.00 N ATOM 281 CA PHE A 19 -20.239 -0.946 -5.810 1.00 0.00 C ATOM 282 C PHE A 19 -21.661 -1.315 -5.566 1.00 0.00 C ATOM 283 O PHE A 19 -22.045 -2.479 -5.673 1.00 0.00 O ATOM 284 CB PHE A 19 -19.533 -0.696 -4.466 1.00 0.00 C ATOM 285 CG PHE A 19 -18.140 -1.224 -4.449 1.00 0.00 C ATOM 286 CD1 PHE A 19 -17.810 -2.487 -4.882 1.00 0.00 C ATOM 287 CD2 PHE A 19 -17.115 -0.427 -3.996 1.00 0.00 C ATOM 288 CE1 PHE A 19 -16.541 -2.999 -4.753 1.00 0.00 C ATOM 289 CE2 PHE A 19 -15.816 -0.875 -3.949 1.00 0.00 C ATOM 290 CZ PHE A 19 -15.530 -2.101 -4.502 1.00 0.00 C ATOM 0 H PHE A 19 -20.424 1.087 -6.117 1.00 0.00 H new ATOM 0 HA PHE A 19 -19.708 -1.750 -6.319 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -19.515 0.375 -4.262 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.106 -1.164 -3.665 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.574 -3.098 -5.339 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -17.336 0.578 -3.668 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.347 -4.057 -4.844 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -15.041 -0.280 -3.490 1.00 0.00 H new ATOM 0 HZ PHE A 19 -14.509 -2.359 -4.740 1.00 0.00 H new ATOM 300 N ASP A 20 -22.528 -0.340 -5.238 1.00 0.00 N ATOM 301 CA ASP A 20 -23.902 -0.529 -4.888 1.00 0.00 C ATOM 302 C ASP A 20 -24.586 -1.066 -6.098 1.00 0.00 C ATOM 303 O ASP A 20 -24.882 -0.316 -7.027 1.00 0.00 O ATOM 304 CB ASP A 20 -24.561 0.757 -4.363 1.00 0.00 C ATOM 305 CG ASP A 20 -25.869 0.538 -3.617 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.251 -0.651 -3.448 1.00 0.00 O ATOM 307 OD2 ASP A 20 -26.505 1.613 -3.454 1.00 0.00 O ATOM 0 H ASP A 20 -22.251 0.642 -5.216 1.00 0.00 H new ATOM 0 HA ASP A 20 -23.986 -1.233 -4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -23.860 1.265 -3.700 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -24.745 1.425 -5.204 1.00 0.00 H new ATOM 312 N LYS A 21 -24.929 -2.366 -6.073 1.00 0.00 N ATOM 313 CA LYS A 21 -25.396 -2.896 -7.316 1.00 0.00 C ATOM 314 C LYS A 21 -26.873 -2.813 -7.488 1.00 0.00 C ATOM 315 O LYS A 21 -27.263 -2.615 -8.638 1.00 0.00 O ATOM 316 CB LYS A 21 -25.049 -4.353 -7.667 1.00 0.00 C ATOM 317 CG LYS A 21 -24.996 -4.667 -9.163 1.00 0.00 C ATOM 318 CD LYS A 21 -24.425 -6.044 -9.507 1.00 0.00 C ATOM 319 CE LYS A 21 -24.696 -6.494 -10.944 1.00 0.00 C ATOM 320 NZ LYS A 21 -23.674 -5.910 -11.842 1.00 0.00 N ATOM 0 H LYS A 21 -24.891 -3.000 -5.275 1.00 0.00 H new ATOM 0 HA LYS A 21 -24.839 -2.237 -7.982 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.082 -4.596 -7.227 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.785 -5.008 -7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -26.004 -4.594 -9.572 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -24.395 -3.905 -9.659 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -23.348 -6.031 -9.339 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -24.845 -6.781 -8.822 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -24.673 -7.582 -11.007 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -25.692 -6.178 -11.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -23.856 -6.214 -12.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -23.717 -4.872 -11.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -22.730 -6.232 -11.549 1.00 0.00 H new ATOM 334 N ASP A 22 -27.719 -2.980 -6.455 1.00 0.00 N ATOM 335 CA ASP A 22 -29.130 -2.767 -6.544 1.00 0.00 C ATOM 336 C ASP A 22 -29.427 -1.309 -6.623 1.00 0.00 C ATOM 337 O ASP A 22 -30.273 -0.887 -7.410 1.00 0.00 O ATOM 338 CB ASP A 22 -29.908 -3.562 -5.482 1.00 0.00 C ATOM 339 CG ASP A 22 -29.159 -3.538 -4.157 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.790 -2.458 -3.625 1.00 0.00 O ATOM 341 OD2 ASP A 22 -29.058 -4.615 -3.511 1.00 0.00 O ATOM 0 H ASP A 22 -27.410 -3.273 -5.528 1.00 0.00 H new ATOM 0 HA ASP A 22 -29.506 -3.184 -7.478 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -30.903 -3.136 -5.354 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -30.043 -4.592 -5.814 1.00 0.00 H new ATOM 346 N GLY A 23 -28.861 -0.497 -5.712 1.00 0.00 N ATOM 347 CA GLY A 23 -29.012 0.924 -5.706 1.00 0.00 C ATOM 348 C GLY A 23 -29.823 1.431 -4.563 1.00 0.00 C ATOM 349 O GLY A 23 -30.458 2.478 -4.680 1.00 0.00 O ATOM 0 H GLY A 23 -28.276 -0.844 -4.951 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -28.025 1.386 -5.674 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -29.480 1.236 -6.640 1.00 0.00 H new ATOM 353 N ASP A 24 -29.739 0.853 -3.351 1.00 0.00 N ATOM 354 CA ASP A 24 -30.474 1.179 -2.169 1.00 0.00 C ATOM 355 C ASP A 24 -29.670 2.126 -1.345 1.00 0.00 C ATOM 356 O ASP A 24 -30.251 2.848 -0.537 1.00 0.00 O ATOM 357 CB ASP A 24 -30.879 -0.074 -1.374 1.00 0.00 C ATOM 358 CG ASP A 24 -29.692 -0.958 -1.024 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.492 -0.640 -1.240 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.932 -2.044 -0.430 1.00 0.00 O ATOM 0 H ASP A 24 -29.092 0.082 -3.186 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.409 1.661 -2.456 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.383 0.230 -0.457 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.597 -0.652 -1.956 1.00 0.00 H new ATOM 365 N GLY A 25 -28.345 2.316 -1.481 1.00 0.00 N ATOM 366 CA GLY A 25 -27.590 3.156 -0.604 1.00 0.00 C ATOM 367 C GLY A 25 -26.834 2.470 0.480 1.00 0.00 C ATOM 368 O GLY A 25 -26.252 3.110 1.355 1.00 0.00 O ATOM 0 H GLY A 25 -27.788 1.878 -2.214 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.883 3.729 -1.204 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.272 3.872 -0.145 1.00 0.00 H new ATOM 372 N THR A 26 -26.668 1.136 0.533 1.00 0.00 N ATOM 373 CA THR A 26 -25.847 0.304 1.356 1.00 0.00 C ATOM 374 C THR A 26 -25.167 -0.727 0.522 1.00 0.00 C ATOM 375 O THR A 26 -25.809 -1.357 -0.317 1.00 0.00 O ATOM 376 CB THR A 26 -26.582 -0.308 2.511 1.00 0.00 C ATOM 377 OG1 THR A 26 -27.717 -1.111 2.219 1.00 0.00 O ATOM 378 CG2 THR A 26 -27.014 0.788 3.500 1.00 0.00 C ATOM 0 H THR A 26 -27.202 0.553 -0.112 1.00 0.00 H new ATOM 0 HA THR A 26 -25.092 0.947 1.809 1.00 0.00 H new ATOM 0 HB THR A 26 -25.848 -0.999 2.925 1.00 0.00 H new ATOM 0 HG1 THR A 26 -28.102 -1.449 3.054 1.00 0.00 H new ATOM 0 HG21 THR A 26 -27.547 0.334 4.336 1.00 0.00 H new ATOM 0 HG22 THR A 26 -26.133 1.310 3.872 1.00 0.00 H new ATOM 0 HG23 THR A 26 -27.669 1.497 2.994 1.00 0.00 H new ATOM 386 N ILE A 27 -23.867 -0.979 0.759 1.00 0.00 N ATOM 387 CA ILE A 27 -23.124 -2.000 0.088 1.00 0.00 C ATOM 388 C ILE A 27 -23.092 -3.208 0.961 1.00 0.00 C ATOM 389 O ILE A 27 -22.623 -3.084 2.091 1.00 0.00 O ATOM 390 CB ILE A 27 -21.723 -1.696 -0.352 1.00 0.00 C ATOM 391 CG1 ILE A 27 -21.413 -0.191 -0.421 1.00 0.00 C ATOM 392 CG2 ILE A 27 -21.512 -2.332 -1.736 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.997 0.128 -0.900 1.00 0.00 C ATOM 0 H ILE A 27 -23.316 -0.456 1.439 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.662 -2.131 -0.851 1.00 0.00 H new ATOM 0 HB ILE A 27 -21.043 -2.110 0.392 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -22.129 0.287 -1.090 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.559 0.246 0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -20.499 -2.126 -2.081 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -21.660 -3.410 -1.667 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -22.228 -1.912 -2.442 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -19.855 1.208 -0.922 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.273 -0.319 -0.219 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.852 -0.277 -1.901 1.00 0.00 H new ATOM 405 N THR A 28 -23.508 -4.374 0.437 1.00 0.00 N ATOM 406 CA THR A 28 -23.561 -5.655 1.071 1.00 0.00 C ATOM 407 C THR A 28 -22.439 -6.519 0.609 1.00 0.00 C ATOM 408 O THR A 28 -21.915 -6.232 -0.467 1.00 0.00 O ATOM 409 CB THR A 28 -24.811 -6.471 0.917 1.00 0.00 C ATOM 410 OG1 THR A 28 -25.079 -6.900 -0.410 1.00 0.00 O ATOM 411 CG2 THR A 28 -26.015 -5.708 1.494 1.00 0.00 C ATOM 0 H THR A 28 -23.840 -4.422 -0.526 1.00 0.00 H new ATOM 0 HA THR A 28 -23.509 -5.375 2.123 1.00 0.00 H new ATOM 0 HB THR A 28 -24.639 -7.386 1.483 1.00 0.00 H new ATOM 0 HG1 THR A 28 -25.195 -6.118 -0.989 1.00 0.00 H new ATOM 0 HG21 THR A 28 -26.917 -6.309 1.377 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.846 -5.509 2.552 1.00 0.00 H new ATOM 0 HG23 THR A 28 -26.137 -4.764 0.962 1.00 0.00 H new ATOM 419 N THR A 29 -22.092 -7.591 1.343 1.00 0.00 N ATOM 420 CA THR A 29 -20.929 -8.380 1.082 1.00 0.00 C ATOM 421 C THR A 29 -20.975 -9.070 -0.238 1.00 0.00 C ATOM 422 O THR A 29 -19.935 -9.256 -0.869 1.00 0.00 O ATOM 423 CB THR A 29 -20.605 -9.431 2.102 1.00 0.00 C ATOM 424 OG1 THR A 29 -21.725 -10.258 2.379 1.00 0.00 O ATOM 425 CG2 THR A 29 -20.354 -8.783 3.473 1.00 0.00 C ATOM 0 H THR A 29 -22.636 -7.918 2.141 1.00 0.00 H new ATOM 0 HA THR A 29 -20.148 -7.620 1.111 1.00 0.00 H new ATOM 0 HB THR A 29 -19.755 -9.976 1.691 1.00 0.00 H new ATOM 0 HG1 THR A 29 -21.477 -10.932 3.046 1.00 0.00 H new ATOM 0 HG21 THR A 29 -20.120 -9.557 4.204 1.00 0.00 H new ATOM 0 HG22 THR A 29 -19.517 -8.088 3.399 1.00 0.00 H new ATOM 0 HG23 THR A 29 -21.247 -8.243 3.789 1.00 0.00 H new ATOM 433 N LYS A 30 -22.159 -9.470 -0.735 1.00 0.00 N ATOM 434 CA LYS A 30 -22.267 -10.046 -2.039 1.00 0.00 C ATOM 435 C LYS A 30 -21.923 -9.020 -3.063 1.00 0.00 C ATOM 436 O LYS A 30 -21.287 -9.303 -4.078 1.00 0.00 O ATOM 437 CB LYS A 30 -23.648 -10.632 -2.379 1.00 0.00 C ATOM 438 CG LYS A 30 -24.920 -9.832 -2.088 1.00 0.00 C ATOM 439 CD LYS A 30 -26.215 -10.104 -2.856 1.00 0.00 C ATOM 440 CE LYS A 30 -27.199 -9.116 -2.225 1.00 0.00 C ATOM 441 NZ LYS A 30 -28.563 -9.366 -2.741 1.00 0.00 N ATOM 0 H LYS A 30 -23.043 -9.394 -0.232 1.00 0.00 H new ATOM 0 HA LYS A 30 -21.570 -10.884 -2.043 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.648 -10.861 -3.445 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -23.735 -11.581 -1.849 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -25.144 -9.962 -1.029 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -24.676 -8.780 -2.236 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -26.095 -9.928 -3.925 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -26.546 -11.136 -2.738 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -27.186 -9.219 -1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -26.897 -8.093 -2.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -29.227 -8.692 -2.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -28.571 -9.246 -3.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -28.852 -10.337 -2.503 1.00 0.00 H new ATOM 455 N GLU A 31 -22.353 -7.749 -2.966 1.00 0.00 N ATOM 456 CA GLU A 31 -22.117 -6.681 -3.887 1.00 0.00 C ATOM 457 C GLU A 31 -20.707 -6.203 -3.922 1.00 0.00 C ATOM 458 O GLU A 31 -20.086 -5.931 -4.949 1.00 0.00 O ATOM 459 CB GLU A 31 -22.955 -5.488 -3.397 1.00 0.00 C ATOM 460 CG GLU A 31 -24.444 -5.670 -3.700 1.00 0.00 C ATOM 461 CD GLU A 31 -25.242 -4.553 -3.044 1.00 0.00 C ATOM 462 OE1 GLU A 31 -25.198 -4.293 -1.811 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.970 -3.849 -3.794 1.00 0.00 O ATOM 0 H GLU A 31 -22.916 -7.444 -2.172 1.00 0.00 H new ATOM 0 HA GLU A 31 -22.368 -7.051 -4.881 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.816 -5.364 -2.323 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.597 -4.574 -3.872 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -24.609 -5.663 -4.777 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.784 -6.638 -3.331 1.00 0.00 H new ATOM 470 N LEU A 32 -20.115 -6.171 -2.715 1.00 0.00 N ATOM 471 CA LEU A 32 -18.713 -6.060 -2.455 1.00 0.00 C ATOM 472 C LEU A 32 -17.806 -7.025 -3.138 1.00 0.00 C ATOM 473 O LEU A 32 -17.103 -6.690 -4.090 1.00 0.00 O ATOM 474 CB LEU A 32 -18.370 -5.875 -0.968 1.00 0.00 C ATOM 475 CG LEU A 32 -18.867 -4.622 -0.227 1.00 0.00 C ATOM 476 CD1 LEU A 32 -18.753 -4.964 1.268 1.00 0.00 C ATOM 477 CD2 LEU A 32 -17.999 -3.408 -0.598 1.00 0.00 C ATOM 0 H LEU A 32 -20.660 -6.227 -1.855 1.00 0.00 H new ATOM 0 HA LEU A 32 -18.483 -5.123 -2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.753 -6.744 -0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.284 -5.899 -0.878 1.00 0.00 H new ATOM 0 HG LEU A 32 -19.891 -4.358 -0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -19.091 -4.115 1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -19.373 -5.833 1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.714 -5.187 1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -18.360 -2.527 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.964 -3.602 -0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -18.057 -3.234 -1.672 1.00 0.00 H new ATOM 489 N GLY A 33 -18.203 -8.294 -2.936 1.00 0.00 N ATOM 490 CA GLY A 33 -17.648 -9.498 -3.473 1.00 0.00 C ATOM 491 C GLY A 33 -17.640 -9.593 -4.959 1.00 0.00 C ATOM 492 O GLY A 33 -16.671 -9.970 -5.616 1.00 0.00 O ATOM 0 H GLY A 33 -18.999 -8.495 -2.331 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.623 -9.597 -3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.208 -10.344 -3.075 1.00 0.00 H new ATOM 496 N THR A 34 -18.788 -9.205 -5.543 1.00 0.00 N ATOM 497 CA THR A 34 -19.007 -9.344 -6.949 1.00 0.00 C ATOM 498 C THR A 34 -18.222 -8.389 -7.781 1.00 0.00 C ATOM 499 O THR A 34 -17.739 -8.741 -8.857 1.00 0.00 O ATOM 500 CB THR A 34 -20.461 -9.125 -7.246 1.00 0.00 C ATOM 501 OG1 THR A 34 -21.202 -10.188 -6.666 1.00 0.00 O ATOM 502 CG2 THR A 34 -20.742 -9.078 -8.757 1.00 0.00 C ATOM 0 H THR A 34 -19.571 -8.792 -5.036 1.00 0.00 H new ATOM 0 HA THR A 34 -18.678 -10.350 -7.207 1.00 0.00 H new ATOM 0 HB THR A 34 -20.756 -8.163 -6.827 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.404 -9.974 -5.731 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.807 -8.918 -8.924 1.00 0.00 H new ATOM 0 HG22 THR A 34 -20.177 -8.261 -9.207 1.00 0.00 H new ATOM 0 HG23 THR A 34 -20.441 -10.021 -9.213 1.00 0.00 H new ATOM 510 N VAL A 35 -18.054 -7.135 -7.325 1.00 0.00 N ATOM 511 CA VAL A 35 -17.323 -6.123 -8.023 1.00 0.00 C ATOM 512 C VAL A 35 -15.875 -6.216 -7.686 1.00 0.00 C ATOM 513 O VAL A 35 -15.064 -5.840 -8.531 1.00 0.00 O ATOM 514 CB VAL A 35 -18.008 -4.808 -7.799 1.00 0.00 C ATOM 515 CG1 VAL A 35 -17.026 -3.742 -8.316 1.00 0.00 C ATOM 516 CG2 VAL A 35 -19.293 -4.814 -8.643 1.00 0.00 C ATOM 0 H VAL A 35 -18.441 -6.814 -6.438 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.328 -6.257 -9.105 1.00 0.00 H new ATOM 0 HB VAL A 35 -18.269 -4.619 -6.758 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -17.461 -2.752 -8.184 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -16.093 -3.806 -7.757 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -16.827 -3.913 -9.374 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -19.822 -3.871 -8.507 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -19.037 -4.938 -9.695 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -19.933 -5.638 -8.326 1.00 0.00 H new ATOM 526 N MET A 36 -15.495 -6.801 -6.536 1.00 0.00 N ATOM 527 CA MET A 36 -14.136 -7.082 -6.188 1.00 0.00 C ATOM 528 C MET A 36 -13.534 -8.073 -7.123 1.00 0.00 C ATOM 529 O MET A 36 -12.338 -8.095 -7.408 1.00 0.00 O ATOM 530 CB MET A 36 -13.978 -7.546 -4.730 1.00 0.00 C ATOM 531 CG MET A 36 -14.064 -6.293 -3.855 1.00 0.00 C ATOM 532 SD MET A 36 -14.370 -6.658 -2.100 1.00 0.00 S ATOM 533 CE MET A 36 -12.695 -7.343 -1.951 1.00 0.00 C ATOM 0 H MET A 36 -16.161 -7.090 -5.820 1.00 0.00 H new ATOM 0 HA MET A 36 -13.595 -6.141 -6.282 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.760 -8.258 -4.464 1.00 0.00 H new ATOM 0 HB3 MET A 36 -13.024 -8.053 -4.587 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.134 -5.731 -3.945 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.861 -5.651 -4.230 1.00 0.00 H new ATOM 0 HE1 MET A 36 -12.289 -7.101 -0.969 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.733 -8.426 -2.072 1.00 0.00 H new ATOM 0 HE3 MET A 36 -12.056 -6.914 -2.723 1.00 0.00 H new ATOM 543 N ARG A 37 -14.357 -9.054 -7.534 1.00 0.00 N ATOM 544 CA ARG A 37 -14.113 -9.970 -8.605 1.00 0.00 C ATOM 545 C ARG A 37 -13.932 -9.239 -9.890 1.00 0.00 C ATOM 546 O ARG A 37 -13.075 -9.616 -10.688 1.00 0.00 O ATOM 547 CB ARG A 37 -15.261 -10.991 -8.516 1.00 0.00 C ATOM 548 CG ARG A 37 -14.852 -12.330 -9.133 1.00 0.00 C ATOM 549 CD ARG A 37 -15.990 -13.346 -9.009 1.00 0.00 C ATOM 550 NE ARG A 37 -15.486 -14.485 -9.826 1.00 0.00 N ATOM 551 CZ ARG A 37 -16.239 -15.600 -10.056 1.00 0.00 C ATOM 552 NH1 ARG A 37 -17.472 -15.756 -9.491 1.00 0.00 N ATOM 553 NH2 ARG A 37 -15.726 -16.636 -10.782 1.00 0.00 N ATOM 0 H ARG A 37 -15.258 -9.218 -7.085 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.175 -10.522 -8.539 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.542 -11.138 -7.473 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -16.139 -10.602 -9.031 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.594 -12.190 -10.183 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.961 -12.710 -8.634 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -16.167 -13.635 -7.973 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -16.931 -12.953 -9.395 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.549 -14.430 -10.226 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -17.849 -15.030 -8.882 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -18.016 -16.598 -9.678 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.778 -16.578 -11.154 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.291 -17.468 -10.952 1.00 0.00 H new ATOM 567 N SER A 38 -14.730 -8.205 -10.209 1.00 0.00 N ATOM 568 CA SER A 38 -14.571 -7.391 -11.374 1.00 0.00 C ATOM 569 C SER A 38 -13.278 -6.652 -11.414 1.00 0.00 C ATOM 570 O SER A 38 -12.760 -6.467 -12.515 1.00 0.00 O ATOM 571 CB SER A 38 -15.821 -6.541 -11.655 1.00 0.00 C ATOM 572 OG SER A 38 -16.880 -7.405 -12.041 1.00 0.00 O ATOM 0 H SER A 38 -15.521 -7.924 -9.630 1.00 0.00 H new ATOM 0 HA SER A 38 -14.492 -8.066 -12.226 1.00 0.00 H new ATOM 0 HB2 SER A 38 -16.100 -5.974 -10.767 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.617 -5.817 -12.444 1.00 0.00 H new ATOM 0 HG SER A 38 -17.685 -6.876 -12.222 1.00 0.00 H new ATOM 578 N LEU A 39 -12.815 -6.230 -10.224 1.00 0.00 N ATOM 579 CA LEU A 39 -11.606 -5.479 -10.089 1.00 0.00 C ATOM 580 C LEU A 39 -10.376 -6.319 -10.044 1.00 0.00 C ATOM 581 O LEU A 39 -9.335 -5.849 -9.589 1.00 0.00 O ATOM 582 CB LEU A 39 -11.630 -4.546 -8.867 1.00 0.00 C ATOM 583 CG LEU A 39 -12.723 -3.464 -8.867 1.00 0.00 C ATOM 584 CD1 LEU A 39 -12.875 -2.970 -7.418 1.00 0.00 C ATOM 585 CD2 LEU A 39 -12.315 -2.305 -9.791 1.00 0.00 C ATOM 0 H LEU A 39 -13.289 -6.414 -9.340 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.561 -4.879 -10.998 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.750 -5.156 -7.971 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.660 -4.055 -8.791 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.668 -3.864 -9.234 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.644 -2.199 -7.375 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.162 -3.804 -6.777 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.927 -2.557 -7.073 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -13.095 -1.543 -9.785 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.380 -1.870 -9.438 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.181 -2.679 -10.806 1.00 0.00 H new ATOM 597 N GLY A 40 -10.449 -7.576 -10.518 1.00 0.00 N ATOM 598 CA GLY A 40 -9.314 -8.433 -10.661 1.00 0.00 C ATOM 599 C GLY A 40 -9.182 -9.541 -9.674 1.00 0.00 C ATOM 600 O GLY A 40 -8.437 -10.493 -9.902 1.00 0.00 O ATOM 0 H GLY A 40 -11.325 -8.009 -10.811 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.341 -8.869 -11.660 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.415 -7.819 -10.605 1.00 0.00 H new ATOM 604 N GLN A 41 -9.955 -9.426 -8.579 1.00 0.00 N ATOM 605 CA GLN A 41 -9.618 -10.139 -7.386 1.00 0.00 C ATOM 606 C GLN A 41 -10.459 -11.364 -7.273 1.00 0.00 C ATOM 607 O GLN A 41 -11.320 -11.678 -8.094 1.00 0.00 O ATOM 608 CB GLN A 41 -9.879 -9.271 -6.143 1.00 0.00 C ATOM 609 CG GLN A 41 -9.312 -7.855 -6.266 1.00 0.00 C ATOM 610 CD GLN A 41 -9.557 -7.138 -4.946 1.00 0.00 C ATOM 611 OE1 GLN A 41 -9.980 -7.752 -3.968 1.00 0.00 O ATOM 612 NE2 GLN A 41 -9.409 -5.786 -4.916 1.00 0.00 N ATOM 0 H GLN A 41 -10.796 -8.852 -8.518 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.561 -10.401 -7.440 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.953 -9.211 -5.969 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.441 -9.756 -5.271 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.246 -7.889 -6.490 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.793 -7.321 -7.086 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.057 -5.293 -5.737 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.650 -5.265 -4.073 1.00 0.00 H new ATOM 621 N ASN A 42 -10.233 -12.244 -6.282 1.00 0.00 N ATOM 622 CA ASN A 42 -10.791 -13.535 -6.025 1.00 0.00 C ATOM 623 C ASN A 42 -10.975 -13.881 -4.587 1.00 0.00 C ATOM 624 O ASN A 42 -10.400 -14.842 -4.076 1.00 0.00 O ATOM 625 CB ASN A 42 -10.002 -14.687 -6.669 1.00 0.00 C ATOM 626 CG ASN A 42 -9.971 -14.541 -8.184 1.00 0.00 C ATOM 627 OD1 ASN A 42 -11.035 -14.671 -8.787 1.00 0.00 O ATOM 628 ND2 ASN A 42 -8.766 -14.435 -8.806 1.00 0.00 N ATOM 0 H ASN A 42 -9.557 -12.008 -5.556 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.774 -13.436 -6.486 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.984 -14.699 -6.279 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.457 -15.640 -6.400 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.714 -14.462 -9.824 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.915 -14.329 -8.254 1.00 0.00 H new ATOM 635 N PRO A 43 -11.683 -13.228 -3.714 1.00 0.00 N ATOM 636 CA PRO A 43 -12.049 -13.715 -2.416 1.00 0.00 C ATOM 637 C PRO A 43 -12.933 -14.909 -2.523 1.00 0.00 C ATOM 638 O PRO A 43 -13.690 -15.004 -3.488 1.00 0.00 O ATOM 639 CB PRO A 43 -12.728 -12.561 -1.681 1.00 0.00 C ATOM 640 CG PRO A 43 -13.273 -11.675 -2.812 1.00 0.00 C ATOM 641 CD PRO A 43 -12.192 -11.876 -3.885 1.00 0.00 C ATOM 0 HA PRO A 43 -11.171 -14.044 -1.860 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.527 -12.916 -1.031 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.023 -12.018 -1.052 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.257 -11.998 -3.152 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.367 -10.632 -2.511 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.608 -11.742 -4.884 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.393 -11.144 -3.772 1.00 0.00 H new ATOM 649 N THR A 44 -12.894 -15.782 -1.500 1.00 0.00 N ATOM 650 CA THR A 44 -14.017 -16.584 -1.125 1.00 0.00 C ATOM 651 C THR A 44 -14.812 -15.874 -0.083 1.00 0.00 C ATOM 652 O THR A 44 -14.412 -14.809 0.385 1.00 0.00 O ATOM 653 CB THR A 44 -13.718 -17.980 -0.666 1.00 0.00 C ATOM 654 OG1 THR A 44 -13.075 -18.061 0.598 1.00 0.00 O ATOM 655 CG2 THR A 44 -12.904 -18.614 -1.806 1.00 0.00 C ATOM 0 H THR A 44 -12.067 -15.934 -0.923 1.00 0.00 H new ATOM 0 HA THR A 44 -14.579 -16.716 -2.050 1.00 0.00 H new ATOM 0 HB THR A 44 -14.643 -18.526 -0.480 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.113 -17.914 0.485 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.647 -19.640 -1.543 1.00 0.00 H new ATOM 0 HG22 THR A 44 -13.496 -18.612 -2.721 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.991 -18.040 -1.964 1.00 0.00 H new ATOM 663 N GLU A 45 -16.005 -16.396 0.255 1.00 0.00 N ATOM 664 CA GLU A 45 -16.858 -15.966 1.318 1.00 0.00 C ATOM 665 C GLU A 45 -16.239 -15.895 2.671 1.00 0.00 C ATOM 666 O GLU A 45 -16.488 -14.964 3.435 1.00 0.00 O ATOM 667 CB GLU A 45 -18.094 -16.851 1.552 1.00 0.00 C ATOM 668 CG GLU A 45 -19.097 -16.680 0.409 1.00 0.00 C ATOM 669 CD GLU A 45 -20.497 -17.231 0.636 1.00 0.00 C ATOM 670 OE1 GLU A 45 -21.196 -16.894 1.629 1.00 0.00 O ATOM 671 OE2 GLU A 45 -21.001 -17.917 -0.293 1.00 0.00 O ATOM 0 H GLU A 45 -16.403 -17.182 -0.258 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.108 -14.975 0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.792 -17.896 1.626 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.564 -16.587 2.499 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -19.182 -15.616 0.188 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.684 -17.158 -0.480 1.00 0.00 H new ATOM 678 N ALA A 46 -15.319 -16.823 2.989 1.00 0.00 N ATOM 679 CA ALA A 46 -14.633 -16.716 4.239 1.00 0.00 C ATOM 680 C ALA A 46 -13.729 -15.544 4.411 1.00 0.00 C ATOM 681 O ALA A 46 -13.534 -14.987 5.491 1.00 0.00 O ATOM 682 CB ALA A 46 -14.051 -18.093 4.601 1.00 0.00 C ATOM 0 H ALA A 46 -15.057 -17.618 2.407 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.367 -16.449 4.999 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.524 -18.027 5.553 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.859 -18.819 4.683 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.356 -18.410 3.823 1.00 0.00 H new ATOM 688 N GLU A 47 -13.132 -15.087 3.296 1.00 0.00 N ATOM 689 CA GLU A 47 -12.294 -13.933 3.198 1.00 0.00 C ATOM 690 C GLU A 47 -13.008 -12.675 3.555 1.00 0.00 C ATOM 691 O GLU A 47 -12.405 -11.800 4.174 1.00 0.00 O ATOM 692 CB GLU A 47 -11.562 -13.758 1.857 1.00 0.00 C ATOM 693 CG GLU A 47 -10.316 -14.627 1.677 1.00 0.00 C ATOM 694 CD GLU A 47 -10.627 -16.117 1.704 1.00 0.00 C ATOM 695 OE1 GLU A 47 -10.839 -16.770 0.647 1.00 0.00 O ATOM 696 OE2 GLU A 47 -10.419 -16.742 2.777 1.00 0.00 O ATOM 0 H GLU A 47 -13.244 -15.559 2.399 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.520 -14.131 3.939 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.259 -13.979 1.049 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.274 -12.712 1.752 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.838 -14.377 0.730 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.600 -14.396 2.466 1.00 0.00 H new ATOM 703 N LEU A 48 -14.248 -12.630 3.035 1.00 0.00 N ATOM 704 CA LEU A 48 -15.274 -11.640 3.146 1.00 0.00 C ATOM 705 C LEU A 48 -15.751 -11.557 4.555 1.00 0.00 C ATOM 706 O LEU A 48 -15.919 -10.425 5.006 1.00 0.00 O ATOM 707 CB LEU A 48 -16.444 -11.905 2.183 1.00 0.00 C ATOM 708 CG LEU A 48 -16.333 -11.475 0.710 1.00 0.00 C ATOM 709 CD1 LEU A 48 -17.531 -11.950 -0.129 1.00 0.00 C ATOM 710 CD2 LEU A 48 -16.145 -9.956 0.557 1.00 0.00 C ATOM 0 H LEU A 48 -14.571 -13.403 2.454 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.843 -10.681 2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -16.639 -12.977 2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -17.325 -11.416 2.599 1.00 0.00 H new ATOM 0 HG LEU A 48 -15.438 -11.965 0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -17.406 -11.622 -1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -17.588 -13.038 -0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -18.450 -11.527 0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -16.072 -9.703 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.998 -9.438 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -15.232 -9.649 1.067 1.00 0.00 H new ATOM 722 N GLN A 49 -15.917 -12.687 5.265 1.00 0.00 N ATOM 723 CA GLN A 49 -16.461 -12.763 6.585 1.00 0.00 C ATOM 724 C GLN A 49 -15.452 -12.395 7.618 1.00 0.00 C ATOM 725 O GLN A 49 -15.853 -11.793 8.613 1.00 0.00 O ATOM 726 CB GLN A 49 -17.183 -14.093 6.859 1.00 0.00 C ATOM 727 CG GLN A 49 -18.433 -14.353 6.016 1.00 0.00 C ATOM 728 CD GLN A 49 -18.925 -15.793 6.040 1.00 0.00 C ATOM 729 OE1 GLN A 49 -19.148 -16.479 5.044 1.00 0.00 O ATOM 730 NE2 GLN A 49 -18.909 -16.327 7.291 1.00 0.00 N ATOM 0 H GLN A 49 -15.656 -13.601 4.895 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.246 -12.010 6.654 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -16.479 -14.909 6.694 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -17.464 -14.123 7.912 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -19.234 -13.703 6.368 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -18.224 -14.071 4.984 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -18.721 -15.731 8.097 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -19.085 -17.323 7.423 1.00 0.00 H new ATOM 739 N ASP A 50 -14.184 -12.667 7.260 1.00 0.00 N ATOM 740 CA ASP A 50 -12.981 -12.149 7.833 1.00 0.00 C ATOM 741 C ASP A 50 -12.820 -10.668 7.814 1.00 0.00 C ATOM 742 O ASP A 50 -12.356 -10.123 8.814 1.00 0.00 O ATOM 743 CB ASP A 50 -11.774 -12.920 7.271 1.00 0.00 C ATOM 744 CG ASP A 50 -10.513 -12.997 8.119 1.00 0.00 C ATOM 745 OD1 ASP A 50 -10.509 -13.755 9.126 1.00 0.00 O ATOM 746 OD2 ASP A 50 -9.499 -12.406 7.661 1.00 0.00 O ATOM 0 H ASP A 50 -13.985 -13.312 6.495 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.051 -12.329 8.906 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.098 -13.940 7.062 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.506 -12.469 6.316 1.00 0.00 H new ATOM 751 N MET A 51 -13.129 -9.919 6.740 1.00 0.00 N ATOM 752 CA MET A 51 -13.131 -8.494 6.615 1.00 0.00 C ATOM 753 C MET A 51 -14.088 -7.810 7.529 1.00 0.00 C ATOM 754 O MET A 51 -13.830 -6.707 8.010 1.00 0.00 O ATOM 755 CB MET A 51 -13.392 -7.992 5.185 1.00 0.00 C ATOM 756 CG MET A 51 -12.601 -8.694 4.079 1.00 0.00 C ATOM 757 SD MET A 51 -13.055 -8.167 2.400 1.00 0.00 S ATOM 758 CE MET A 51 -12.024 -9.498 1.718 1.00 0.00 C ATOM 0 H MET A 51 -13.407 -10.364 5.865 1.00 0.00 H new ATOM 0 HA MET A 51 -12.113 -8.230 6.902 1.00 0.00 H new ATOM 0 HB2 MET A 51 -14.455 -8.100 4.970 1.00 0.00 H new ATOM 0 HB3 MET A 51 -13.166 -6.926 5.147 1.00 0.00 H new ATOM 0 HG2 MET A 51 -11.538 -8.508 4.232 1.00 0.00 H new ATOM 0 HG3 MET A 51 -12.752 -9.770 4.165 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.764 -9.264 0.686 1.00 0.00 H new ATOM 0 HE2 MET A 51 -11.113 -9.592 2.310 1.00 0.00 H new ATOM 0 HE3 MET A 51 -12.576 -10.438 1.749 1.00 0.00 H new ATOM 768 N ILE A 52 -15.209 -8.500 7.806 1.00 0.00 N ATOM 769 CA ILE A 52 -16.286 -8.131 8.670 1.00 0.00 C ATOM 770 C ILE A 52 -15.751 -7.845 10.031 1.00 0.00 C ATOM 771 O ILE A 52 -15.988 -6.798 10.630 1.00 0.00 O ATOM 772 CB ILE A 52 -17.523 -8.976 8.751 1.00 0.00 C ATOM 773 CG1 ILE A 52 -18.155 -9.192 7.366 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.505 -8.298 9.722 1.00 0.00 C ATOM 775 CD1 ILE A 52 -19.399 -10.078 7.377 1.00 0.00 C ATOM 0 H ILE A 52 -15.375 -9.411 7.378 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.688 -7.253 8.164 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.265 -9.968 9.123 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -18.417 -8.222 6.943 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -17.411 -9.637 6.705 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.414 -8.896 9.797 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.044 -8.214 10.706 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.754 -7.304 9.352 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -19.782 -10.180 6.362 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -19.141 -11.062 7.768 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -20.163 -9.625 8.010 1.00 0.00 H new ATOM 787 N ASN A 53 -15.008 -8.856 10.516 1.00 0.00 N ATOM 788 CA ASN A 53 -14.420 -8.821 11.819 1.00 0.00 C ATOM 789 C ASN A 53 -13.463 -7.702 12.044 1.00 0.00 C ATOM 790 O ASN A 53 -13.410 -7.343 13.219 1.00 0.00 O ATOM 791 CB ASN A 53 -13.613 -10.077 12.191 1.00 0.00 C ATOM 792 CG ASN A 53 -14.482 -11.326 12.172 1.00 0.00 C ATOM 793 OD1 ASN A 53 -14.311 -12.068 11.207 1.00 0.00 O ATOM 794 ND2 ASN A 53 -15.311 -11.567 13.223 1.00 0.00 N ATOM 0 H ASN A 53 -14.812 -9.711 9.995 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.315 -8.715 12.433 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -12.785 -10.198 11.493 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.178 -9.951 13.182 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -15.858 -12.427 13.254 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.385 -10.888 13.980 1.00 0.00 H new ATOM 801 N GLU A 54 -12.872 -7.130 10.979 1.00 0.00 N ATOM 802 CA GLU A 54 -11.903 -6.078 11.007 1.00 0.00 C ATOM 803 C GLU A 54 -12.511 -4.736 10.787 1.00 0.00 C ATOM 804 O GLU A 54 -12.294 -3.779 11.529 1.00 0.00 O ATOM 805 CB GLU A 54 -10.821 -6.299 9.936 1.00 0.00 C ATOM 806 CG GLU A 54 -9.583 -5.404 9.865 1.00 0.00 C ATOM 807 CD GLU A 54 -8.466 -5.913 8.965 1.00 0.00 C ATOM 808 OE1 GLU A 54 -8.519 -5.632 7.738 1.00 0.00 O ATOM 809 OE2 GLU A 54 -7.467 -6.503 9.458 1.00 0.00 O ATOM 0 H GLU A 54 -13.089 -7.426 10.027 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.462 -6.103 12.003 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.467 -7.324 10.048 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.315 -6.236 8.966 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.887 -4.417 9.517 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.187 -5.278 10.873 1.00 0.00 H new ATOM 816 N VAL A 55 -13.216 -4.557 9.656 1.00 0.00 N ATOM 817 CA VAL A 55 -13.616 -3.240 9.267 1.00 0.00 C ATOM 818 C VAL A 55 -14.833 -2.633 9.874 1.00 0.00 C ATOM 819 O VAL A 55 -15.032 -1.419 9.886 1.00 0.00 O ATOM 820 CB VAL A 55 -13.572 -2.996 7.787 1.00 0.00 C ATOM 821 CG1 VAL A 55 -12.243 -3.452 7.163 1.00 0.00 C ATOM 822 CG2 VAL A 55 -14.714 -3.725 7.058 1.00 0.00 C ATOM 0 H VAL A 55 -13.504 -5.304 9.024 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.812 -2.686 9.752 1.00 0.00 H new ATOM 0 HB VAL A 55 -13.679 -1.918 7.664 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.258 -3.255 6.091 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -11.419 -2.904 7.621 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.108 -4.520 7.334 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -14.649 -3.525 5.989 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.630 -4.798 7.232 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -15.672 -3.370 7.436 1.00 0.00 H new ATOM 832 N ASP A 56 -15.722 -3.549 10.299 1.00 0.00 N ATOM 833 CA ASP A 56 -17.018 -3.170 10.769 1.00 0.00 C ATOM 834 C ASP A 56 -17.002 -2.948 12.242 1.00 0.00 C ATOM 835 O ASP A 56 -16.779 -3.917 12.968 1.00 0.00 O ATOM 836 CB ASP A 56 -18.052 -4.254 10.420 1.00 0.00 C ATOM 837 CG ASP A 56 -19.394 -3.595 10.138 1.00 0.00 C ATOM 838 OD1 ASP A 56 -19.791 -2.773 11.007 1.00 0.00 O ATOM 839 OD2 ASP A 56 -20.111 -3.836 9.131 1.00 0.00 O ATOM 0 H ASP A 56 -15.543 -4.553 10.317 1.00 0.00 H new ATOM 0 HA ASP A 56 -17.296 -2.238 10.277 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -17.722 -4.821 9.550 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.147 -4.961 11.244 1.00 0.00 H new ATOM 844 N ALA A 57 -17.270 -1.721 12.723 1.00 0.00 N ATOM 845 CA ALA A 57 -17.326 -1.356 14.104 1.00 0.00 C ATOM 846 C ALA A 57 -18.700 -1.419 14.677 1.00 0.00 C ATOM 847 O ALA A 57 -18.849 -1.252 15.886 1.00 0.00 O ATOM 848 CB ALA A 57 -16.595 -0.011 14.257 1.00 0.00 C ATOM 0 H ALA A 57 -17.460 -0.932 12.105 1.00 0.00 H new ATOM 0 HA ALA A 57 -16.806 -2.091 14.718 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -16.618 0.299 15.302 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -15.560 -0.121 13.934 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -17.088 0.743 13.644 1.00 0.00 H new ATOM 854 N ASP A 58 -19.733 -1.594 13.834 1.00 0.00 N ATOM 855 CA ASP A 58 -21.098 -1.727 14.239 1.00 0.00 C ATOM 856 C ASP A 58 -21.600 -3.126 14.127 1.00 0.00 C ATOM 857 O ASP A 58 -22.405 -3.611 14.921 1.00 0.00 O ATOM 858 CB ASP A 58 -21.958 -0.729 13.447 1.00 0.00 C ATOM 859 CG ASP A 58 -21.957 -0.968 11.944 1.00 0.00 C ATOM 860 OD1 ASP A 58 -22.628 -1.954 11.538 1.00 0.00 O ATOM 861 OD2 ASP A 58 -21.364 -0.183 11.158 1.00 0.00 O ATOM 0 H ASP A 58 -19.611 -1.645 12.823 1.00 0.00 H new ATOM 0 HA ASP A 58 -21.169 -1.489 15.300 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -22.984 -0.779 13.812 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -21.599 0.281 13.644 1.00 0.00 H new ATOM 866 N GLY A 59 -20.879 -3.854 13.256 1.00 0.00 N ATOM 867 CA GLY A 59 -20.881 -5.282 13.185 1.00 0.00 C ATOM 868 C GLY A 59 -21.726 -5.922 12.138 1.00 0.00 C ATOM 869 O GLY A 59 -21.500 -7.106 11.898 1.00 0.00 O ATOM 0 H GLY A 59 -20.263 -3.424 12.566 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -19.853 -5.612 13.034 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.200 -5.666 14.154 1.00 0.00 H new ATOM 873 N ASN A 60 -22.680 -5.198 11.524 1.00 0.00 N ATOM 874 CA ASN A 60 -23.619 -5.842 10.659 1.00 0.00 C ATOM 875 C ASN A 60 -23.137 -6.541 9.435 1.00 0.00 C ATOM 876 O ASN A 60 -23.753 -7.504 8.982 1.00 0.00 O ATOM 877 CB ASN A 60 -24.829 -4.954 10.325 1.00 0.00 C ATOM 878 CG ASN A 60 -24.458 -3.631 9.670 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.330 -3.439 9.219 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.387 -2.639 9.628 1.00 0.00 N ATOM 0 H ASN A 60 -22.800 -4.190 11.623 1.00 0.00 H new ATOM 0 HA ASN A 60 -23.906 -6.672 11.304 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -25.498 -5.502 9.662 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -25.384 -4.752 11.241 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -25.149 -1.734 9.222 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.322 -2.800 10.002 1.00 0.00 H new ATOM 887 N GLY A 61 -22.061 -6.005 8.830 1.00 0.00 N ATOM 888 CA GLY A 61 -21.324 -6.340 7.651 1.00 0.00 C ATOM 889 C GLY A 61 -21.742 -5.575 6.443 1.00 0.00 C ATOM 890 O GLY A 61 -21.271 -5.900 5.354 1.00 0.00 O ATOM 0 H GLY A 61 -21.637 -5.182 9.258 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -20.264 -6.162 7.833 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -21.439 -7.406 7.453 1.00 0.00 H new ATOM 894 N THR A 62 -22.750 -4.709 6.649 1.00 0.00 N ATOM 895 CA THR A 62 -23.194 -3.793 5.644 1.00 0.00 C ATOM 896 C THR A 62 -22.265 -2.631 5.732 1.00 0.00 C ATOM 897 O THR A 62 -21.914 -2.228 6.840 1.00 0.00 O ATOM 898 CB THR A 62 -24.617 -3.357 5.828 1.00 0.00 C ATOM 899 OG1 THR A 62 -25.473 -4.339 6.395 1.00 0.00 O ATOM 900 CG2 THR A 62 -25.229 -2.980 4.468 1.00 0.00 C ATOM 0 H THR A 62 -23.265 -4.643 7.527 1.00 0.00 H new ATOM 0 HA THR A 62 -23.177 -4.270 4.664 1.00 0.00 H new ATOM 0 HB THR A 62 -24.558 -2.517 6.521 1.00 0.00 H new ATOM 0 HG1 THR A 62 -26.378 -3.973 6.482 1.00 0.00 H new ATOM 0 HG21 THR A 62 -26.263 -2.664 4.609 1.00 0.00 H new ATOM 0 HG22 THR A 62 -24.658 -2.164 4.026 1.00 0.00 H new ATOM 0 HG23 THR A 62 -25.201 -3.844 3.804 1.00 0.00 H new ATOM 908 N ILE A 63 -21.910 -2.032 4.582 1.00 0.00 N ATOM 909 CA ILE A 63 -21.113 -0.850 4.473 1.00 0.00 C ATOM 910 C ILE A 63 -21.932 0.287 3.966 1.00 0.00 C ATOM 911 O ILE A 63 -22.249 0.338 2.779 1.00 0.00 O ATOM 912 CB ILE A 63 -19.881 -1.194 3.690 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.890 -2.083 4.460 1.00 0.00 C ATOM 914 CG2 ILE A 63 -19.165 0.084 3.220 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.674 -2.466 3.618 1.00 0.00 C ATOM 0 H ILE A 63 -22.197 -2.395 3.673 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.762 -0.490 5.440 1.00 0.00 H new ATOM 0 HB ILE A 63 -20.226 -1.771 2.832 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.557 -1.559 5.356 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -19.399 -2.988 4.790 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -18.274 -0.186 2.654 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.836 0.665 2.586 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.878 0.680 4.086 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -17.006 -3.093 4.208 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -18.001 -3.015 2.735 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -17.146 -1.564 3.310 1.00 0.00 H new ATOM 927 N ASP A 64 -22.385 1.258 4.779 1.00 0.00 N ATOM 928 CA ASP A 64 -22.976 2.465 4.291 1.00 0.00 C ATOM 929 C ASP A 64 -21.937 3.494 4.004 1.00 0.00 C ATOM 930 O ASP A 64 -20.743 3.242 4.163 1.00 0.00 O ATOM 931 CB ASP A 64 -24.001 2.993 5.309 1.00 0.00 C ATOM 932 CG ASP A 64 -23.716 2.642 6.762 1.00 0.00 C ATOM 933 OD1 ASP A 64 -24.137 1.543 7.214 1.00 0.00 O ATOM 934 OD2 ASP A 64 -23.326 3.579 7.509 1.00 0.00 O ATOM 0 H ASP A 64 -22.340 1.203 5.797 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.489 2.246 3.355 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -24.053 4.078 5.218 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.984 2.604 5.045 1.00 0.00 H new ATOM 939 N PHE A 65 -22.366 4.683 3.545 1.00 0.00 N ATOM 940 CA PHE A 65 -21.514 5.688 2.990 1.00 0.00 C ATOM 941 C PHE A 65 -20.502 6.283 3.908 1.00 0.00 C ATOM 942 O PHE A 65 -19.358 6.294 3.456 1.00 0.00 O ATOM 943 CB PHE A 65 -22.306 6.808 2.295 1.00 0.00 C ATOM 944 CG PHE A 65 -21.579 7.841 1.506 1.00 0.00 C ATOM 945 CD1 PHE A 65 -20.534 7.548 0.661 1.00 0.00 C ATOM 946 CD2 PHE A 65 -22.098 9.114 1.482 1.00 0.00 C ATOM 947 CE1 PHE A 65 -19.849 8.505 -0.050 1.00 0.00 C ATOM 948 CE2 PHE A 65 -21.494 10.083 0.716 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.360 9.781 -0.001 1.00 0.00 C ATOM 0 H PHE A 65 -23.349 4.955 3.561 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.940 5.123 2.256 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.025 6.333 1.627 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -22.879 7.327 3.063 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.237 6.516 0.551 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.977 9.352 2.063 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -18.960 8.268 -0.615 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.909 11.079 0.677 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.856 10.569 -0.541 1.00 0.00 H new ATOM 959 N PRO A 66 -20.751 6.756 5.093 1.00 0.00 N ATOM 960 CA PRO A 66 -19.741 7.241 5.988 1.00 0.00 C ATOM 961 C PRO A 66 -18.808 6.160 6.414 1.00 0.00 C ATOM 962 O PRO A 66 -17.709 6.492 6.856 1.00 0.00 O ATOM 963 CB PRO A 66 -20.511 7.931 7.112 1.00 0.00 C ATOM 964 CG PRO A 66 -21.885 7.244 7.093 1.00 0.00 C ATOM 965 CD PRO A 66 -22.100 6.956 5.598 1.00 0.00 C ATOM 0 HA PRO A 66 -19.061 7.955 5.524 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.014 7.804 8.074 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.598 9.003 6.937 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -21.888 6.329 7.686 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.665 7.889 7.497 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.721 6.073 5.445 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.597 7.786 5.097 1.00 0.00 H new ATOM 973 N GLU A 67 -19.238 4.893 6.278 1.00 0.00 N ATOM 974 CA GLU A 67 -18.444 3.749 6.602 1.00 0.00 C ATOM 975 C GLU A 67 -17.589 3.244 5.492 1.00 0.00 C ATOM 976 O GLU A 67 -16.474 2.758 5.673 1.00 0.00 O ATOM 977 CB GLU A 67 -19.331 2.586 7.077 1.00 0.00 C ATOM 978 CG GLU A 67 -18.621 1.402 7.736 1.00 0.00 C ATOM 979 CD GLU A 67 -19.637 0.297 7.992 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.878 0.513 8.016 1.00 0.00 O ATOM 981 OE2 GLU A 67 -19.261 -0.829 8.414 1.00 0.00 O ATOM 0 H GLU A 67 -20.168 4.657 5.932 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.780 4.100 7.391 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -20.060 2.982 7.784 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -19.890 2.212 6.219 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.821 1.037 7.092 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -18.159 1.714 8.673 1.00 0.00 H new ATOM 988 N PHE A 68 -17.996 3.628 4.269 1.00 0.00 N ATOM 989 CA PHE A 68 -17.317 3.391 3.033 1.00 0.00 C ATOM 990 C PHE A 68 -16.177 4.339 2.881 1.00 0.00 C ATOM 991 O PHE A 68 -15.101 3.910 2.466 1.00 0.00 O ATOM 992 CB PHE A 68 -18.215 3.343 1.786 1.00 0.00 C ATOM 993 CG PHE A 68 -17.600 3.014 0.469 1.00 0.00 C ATOM 994 CD1 PHE A 68 -17.342 1.730 0.050 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.252 4.066 -0.344 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.731 1.521 -1.164 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.720 3.816 -1.587 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.326 2.556 -1.973 1.00 0.00 C ATOM 0 H PHE A 68 -18.866 4.143 4.136 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.929 2.374 3.097 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -19.002 2.613 1.974 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.699 4.315 1.690 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -17.618 0.890 0.671 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.395 5.083 -0.009 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.563 0.506 -1.494 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.608 4.635 -2.282 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.733 2.389 -2.860 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.457 5.626 3.153 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.569 6.746 3.103 1.00 0.00 C ATOM 1010 C LEU A 69 -14.285 6.540 3.830 1.00 0.00 C ATOM 1011 O LEU A 69 -13.331 7.116 3.309 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.446 7.909 3.594 1.00 0.00 C ATOM 1013 CG LEU A 69 -15.811 9.217 3.092 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -16.892 10.237 2.695 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -14.953 9.905 4.168 1.00 0.00 C ATOM 0 H LEU A 69 -17.396 5.907 3.435 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.178 6.941 2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.463 7.808 3.215 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -16.509 7.907 4.682 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.193 8.929 2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -16.417 11.153 2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -17.510 9.821 1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.516 10.461 3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.528 10.823 3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.574 10.143 5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -14.148 9.237 4.474 1.00 0.00 H new ATOM 1027 N THR A 70 -14.186 5.734 4.902 1.00 0.00 N ATOM 1028 CA THR A 70 -12.956 5.580 5.615 1.00 0.00 C ATOM 1029 C THR A 70 -12.105 4.536 4.978 1.00 0.00 C ATOM 1030 O THR A 70 -10.885 4.679 5.037 1.00 0.00 O ATOM 1031 CB THR A 70 -13.150 5.218 7.058 1.00 0.00 C ATOM 1032 OG1 THR A 70 -13.898 4.029 7.264 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.764 6.414 7.805 1.00 0.00 C ATOM 0 H THR A 70 -14.961 5.187 5.276 1.00 0.00 H new ATOM 0 HA THR A 70 -12.468 6.554 5.573 1.00 0.00 H new ATOM 0 HB THR A 70 -12.165 4.994 7.467 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.981 3.857 8.225 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.906 6.154 8.854 1.00 0.00 H new ATOM 0 HG22 THR A 70 -13.095 7.271 7.731 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.727 6.666 7.360 1.00 0.00 H new ATOM 1041 N MET A 71 -12.682 3.612 4.189 1.00 0.00 N ATOM 1042 CA MET A 71 -11.922 2.717 3.373 1.00 0.00 C ATOM 1043 C MET A 71 -11.300 3.469 2.247 1.00 0.00 C ATOM 1044 O MET A 71 -10.123 3.434 1.892 1.00 0.00 O ATOM 1045 CB MET A 71 -12.731 1.553 2.775 1.00 0.00 C ATOM 1046 CG MET A 71 -13.279 0.430 3.658 1.00 0.00 C ATOM 1047 SD MET A 71 -12.062 -0.514 4.625 1.00 0.00 S ATOM 1048 CE MET A 71 -11.570 -1.608 3.262 1.00 0.00 C ATOM 0 H MET A 71 -13.691 3.484 4.116 1.00 0.00 H new ATOM 0 HA MET A 71 -11.178 2.282 4.040 1.00 0.00 H new ATOM 0 HB2 MET A 71 -13.582 1.992 2.254 1.00 0.00 H new ATOM 0 HB3 MET A 71 -12.102 1.084 2.019 1.00 0.00 H new ATOM 0 HG2 MET A 71 -14.002 0.863 4.350 1.00 0.00 H new ATOM 0 HG3 MET A 71 -13.824 -0.268 3.022 1.00 0.00 H new ATOM 0 HE1 MET A 71 -10.820 -2.316 3.616 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.442 -2.153 2.900 1.00 0.00 H new ATOM 0 HE3 MET A 71 -11.152 -1.013 2.450 1.00 0.00 H new ATOM 1058 N MET A 72 -12.098 4.382 1.665 1.00 0.00 N ATOM 1059 CA MET A 72 -11.722 5.283 0.620 1.00 0.00 C ATOM 1060 C MET A 72 -10.703 6.272 1.074 1.00 0.00 C ATOM 1061 O MET A 72 -9.850 6.701 0.299 1.00 0.00 O ATOM 1062 CB MET A 72 -12.919 6.063 0.050 1.00 0.00 C ATOM 1063 CG MET A 72 -13.879 5.161 -0.729 1.00 0.00 C ATOM 1064 SD MET A 72 -13.107 4.231 -2.087 1.00 0.00 S ATOM 1065 CE MET A 72 -12.869 5.541 -3.322 1.00 0.00 C ATOM 0 H MET A 72 -13.072 4.498 1.944 1.00 0.00 H new ATOM 0 HA MET A 72 -11.302 4.648 -0.160 1.00 0.00 H new ATOM 0 HB2 MET A 72 -13.458 6.545 0.866 1.00 0.00 H new ATOM 0 HB3 MET A 72 -12.556 6.855 -0.605 1.00 0.00 H new ATOM 0 HG2 MET A 72 -14.336 4.455 -0.036 1.00 0.00 H new ATOM 0 HG3 MET A 72 -14.683 5.774 -1.137 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.403 5.121 -4.213 1.00 0.00 H new ATOM 0 HE2 MET A 72 -13.835 5.972 -3.586 1.00 0.00 H new ATOM 0 HE3 MET A 72 -12.226 6.318 -2.909 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.734 6.609 2.375 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.681 7.269 3.083 1.00 0.00 C ATOM 1077 C ALA A 73 -8.431 6.469 3.209 1.00 0.00 C ATOM 1078 O ALA A 73 -7.322 6.979 3.055 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.112 7.801 4.461 1.00 0.00 C ATOM 0 H ALA A 73 -11.540 6.409 2.967 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.449 8.124 2.448 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.266 8.290 4.943 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.923 8.519 4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.453 6.972 5.081 1.00 0.00 H new ATOM 1234 N GLU A 83 -2.511 18.426 6.274 1.00 0.00 N ATOM 1235 CA GLU A 83 -2.067 18.442 7.634 1.00 0.00 C ATOM 1236 C GLU A 83 -3.133 18.209 8.648 1.00 0.00 C ATOM 1237 O GLU A 83 -3.061 18.595 9.814 1.00 0.00 O ATOM 1238 CB GLU A 83 -1.532 19.852 7.936 1.00 0.00 C ATOM 1239 CG GLU A 83 -0.302 20.368 7.186 1.00 0.00 C ATOM 1240 CD GLU A 83 0.965 19.651 7.630 1.00 0.00 C ATOM 1241 OE1 GLU A 83 1.622 20.050 8.628 1.00 0.00 O ATOM 1242 OE2 GLU A 83 1.228 18.663 6.893 1.00 0.00 O ATOM 0 HA GLU A 83 -1.337 17.636 7.713 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.344 20.555 7.754 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.306 19.894 9.002 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.443 20.229 6.114 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.194 21.439 7.357 1.00 0.00 H new ATOM 1249 N GLU A 84 -4.263 17.563 8.311 1.00 0.00 N ATOM 1250 CA GLU A 84 -5.461 17.384 9.072 1.00 0.00 C ATOM 1251 C GLU A 84 -5.252 16.481 10.239 1.00 0.00 C ATOM 1252 O GLU A 84 -5.558 16.776 11.393 1.00 0.00 O ATOM 1253 CB GLU A 84 -6.731 16.986 8.302 1.00 0.00 C ATOM 1254 CG GLU A 84 -6.907 17.890 7.080 1.00 0.00 C ATOM 1255 CD GLU A 84 -7.897 17.401 6.032 1.00 0.00 C ATOM 1256 OE1 GLU A 84 -8.434 16.277 6.222 1.00 0.00 O ATOM 1257 OE2 GLU A 84 -8.093 18.145 5.034 1.00 0.00 O ATOM 0 H GLU A 84 -4.343 17.115 7.398 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.669 18.398 9.414 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.664 15.944 7.988 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.601 17.067 8.953 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.226 18.874 7.423 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.935 18.018 6.603 1.00 0.00 H new ATOM 1264 N ILE A 85 -4.685 15.293 9.961 1.00 0.00 N ATOM 1265 CA ILE A 85 -4.101 14.316 10.826 1.00 0.00 C ATOM 1266 C ILE A 85 -3.008 14.844 11.690 1.00 0.00 C ATOM 1267 O ILE A 85 -2.910 14.467 12.857 1.00 0.00 O ATOM 1268 CB ILE A 85 -3.722 13.045 10.126 1.00 0.00 C ATOM 1269 CG1 ILE A 85 -2.637 13.145 9.040 1.00 0.00 C ATOM 1270 CG2 ILE A 85 -4.964 12.456 9.437 1.00 0.00 C ATOM 1271 CD1 ILE A 85 -2.828 14.029 7.809 1.00 0.00 C ATOM 0 H ILE A 85 -4.632 14.980 8.992 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.906 14.051 11.511 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.309 12.429 10.925 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.724 13.479 9.533 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.453 12.133 8.679 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.693 11.532 8.927 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.730 12.247 10.184 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -5.351 13.171 8.711 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.948 13.957 7.170 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.707 13.697 7.256 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.966 15.064 8.122 1.00 0.00 H new ATOM 1283 N ARG A 86 -2.111 15.679 11.136 1.00 0.00 N ATOM 1284 CA ARG A 86 -0.941 16.210 11.764 1.00 0.00 C ATOM 1285 C ARG A 86 -1.348 17.167 12.831 1.00 0.00 C ATOM 1286 O ARG A 86 -0.869 17.129 13.963 1.00 0.00 O ATOM 1287 CB ARG A 86 0.107 16.835 10.829 1.00 0.00 C ATOM 1288 CG ARG A 86 0.809 15.809 9.937 1.00 0.00 C ATOM 1289 CD ARG A 86 2.244 16.270 9.674 1.00 0.00 C ATOM 1290 NE ARG A 86 2.866 15.258 8.774 1.00 0.00 N ATOM 1291 CZ ARG A 86 3.541 14.126 9.127 1.00 0.00 C ATOM 1292 NH1 ARG A 86 3.968 13.880 10.400 1.00 0.00 N ATOM 1293 NH2 ARG A 86 4.015 13.306 8.143 1.00 0.00 N ATOM 0 H ARG A 86 -2.213 16.007 10.176 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.421 15.349 12.185 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.377 17.583 10.200 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.853 17.357 11.428 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.811 14.831 10.419 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.271 15.699 8.995 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.254 17.257 9.211 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.801 16.351 10.608 1.00 0.00 H new ATOM 0 HE ARG A 86 2.776 15.433 7.773 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.786 14.559 11.139 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.469 13.017 10.612 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.862 13.544 7.163 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.522 12.455 8.388 1.00 0.00 H new ATOM 1307 N GLU A 87 -2.432 17.924 12.583 1.00 0.00 N ATOM 1308 CA GLU A 87 -3.072 18.788 13.526 1.00 0.00 C ATOM 1309 C GLU A 87 -3.959 18.076 14.489 1.00 0.00 C ATOM 1310 O GLU A 87 -3.899 18.419 15.669 1.00 0.00 O ATOM 1311 CB GLU A 87 -3.692 19.986 12.789 1.00 0.00 C ATOM 1312 CG GLU A 87 -4.677 20.844 13.586 1.00 0.00 C ATOM 1313 CD GLU A 87 -4.944 22.213 12.977 1.00 0.00 C ATOM 1314 OE1 GLU A 87 -5.697 22.287 11.970 1.00 0.00 O ATOM 1315 OE2 GLU A 87 -4.564 23.266 13.556 1.00 0.00 O ATOM 0 H GLU A 87 -2.888 17.933 11.671 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.320 19.201 14.198 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.883 20.629 12.442 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.205 19.613 11.903 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.621 20.307 13.674 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.291 20.977 14.597 1.00 0.00 H new ATOM 1322 N ALA A 88 -4.735 17.025 14.170 1.00 0.00 N ATOM 1323 CA ALA A 88 -5.347 16.120 15.092 1.00 0.00 C ATOM 1324 C ALA A 88 -4.409 15.435 16.026 1.00 0.00 C ATOM 1325 O ALA A 88 -4.633 15.482 17.234 1.00 0.00 O ATOM 1326 CB ALA A 88 -6.242 15.248 14.196 1.00 0.00 C ATOM 0 H ALA A 88 -4.949 16.793 13.200 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.948 16.618 15.852 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.763 14.512 14.808 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.971 15.878 13.687 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.627 14.735 13.457 1.00 0.00 H new ATOM 1332 N PHE A 89 -3.218 14.997 15.579 1.00 0.00 N ATOM 1333 CA PHE A 89 -2.195 14.412 16.389 1.00 0.00 C ATOM 1334 C PHE A 89 -1.708 15.471 17.318 1.00 0.00 C ATOM 1335 O PHE A 89 -1.504 15.331 18.523 1.00 0.00 O ATOM 1336 CB PHE A 89 -0.986 13.836 15.633 1.00 0.00 C ATOM 1337 CG PHE A 89 -0.231 12.917 16.530 1.00 0.00 C ATOM 1338 CD1 PHE A 89 0.741 13.384 17.383 1.00 0.00 C ATOM 1339 CD2 PHE A 89 -0.580 11.589 16.612 1.00 0.00 C ATOM 1340 CE1 PHE A 89 1.414 12.497 18.190 1.00 0.00 C ATOM 1341 CE2 PHE A 89 0.104 10.680 17.386 1.00 0.00 C ATOM 1342 CZ PHE A 89 1.193 11.144 18.085 1.00 0.00 C ATOM 0 H PHE A 89 -2.955 15.055 14.595 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.651 13.557 16.888 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.321 13.301 14.745 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.338 14.644 15.293 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.974 14.438 17.419 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.430 11.244 16.042 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.124 12.867 18.914 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.202 9.646 17.442 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.874 10.447 18.551 1.00 0.00 H new ATOM 1352 N ARG A 90 -1.581 16.725 16.849 1.00 0.00 N ATOM 1353 CA ARG A 90 -1.095 17.758 17.710 1.00 0.00 C ATOM 1354 C ARG A 90 -2.056 18.316 18.703 1.00 0.00 C ATOM 1355 O ARG A 90 -1.758 18.742 19.818 1.00 0.00 O ATOM 1356 CB ARG A 90 -0.465 18.804 16.774 1.00 0.00 C ATOM 1357 CG ARG A 90 -0.013 20.075 17.495 1.00 0.00 C ATOM 1358 CD ARG A 90 0.774 20.960 16.526 1.00 0.00 C ATOM 1359 NE ARG A 90 -0.266 21.572 15.651 1.00 0.00 N ATOM 1360 CZ ARG A 90 -0.203 21.633 14.289 1.00 0.00 C ATOM 1361 NH1 ARG A 90 0.916 21.321 13.573 1.00 0.00 N ATOM 1362 NH2 ARG A 90 -1.220 22.276 13.645 1.00 0.00 N ATOM 0 H ARG A 90 -1.808 17.019 15.899 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.365 17.337 18.401 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.392 18.358 16.269 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.187 19.071 16.002 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.879 20.616 17.877 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.607 19.818 18.354 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.344 21.722 17.058 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.488 20.376 15.945 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.086 21.975 16.104 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.764 21.024 14.056 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.904 21.385 12.555 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.985 22.686 14.181 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.215 22.347 12.627 1.00 0.00 H new ATOM 1376 N VAL A 91 -3.341 18.216 18.320 1.00 0.00 N ATOM 1377 CA VAL A 91 -4.397 18.570 19.218 1.00 0.00 C ATOM 1378 C VAL A 91 -4.346 17.716 20.438 1.00 0.00 C ATOM 1379 O VAL A 91 -4.468 18.147 21.583 1.00 0.00 O ATOM 1380 CB VAL A 91 -5.768 18.539 18.611 1.00 0.00 C ATOM 1381 CG1 VAL A 91 -6.918 18.246 19.589 1.00 0.00 C ATOM 1382 CG2 VAL A 91 -6.102 19.891 17.959 1.00 0.00 C ATOM 0 H VAL A 91 -3.647 17.895 17.402 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.221 19.613 19.483 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.709 17.718 17.897 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.864 18.246 19.048 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -6.764 17.270 20.050 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.942 19.013 20.363 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.101 19.848 17.524 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.068 20.677 18.713 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.375 20.107 17.177 1.00 0.00 H new ATOM 1392 N PHE A 92 -4.080 16.412 20.238 1.00 0.00 N ATOM 1393 CA PHE A 92 -3.861 15.426 21.251 1.00 0.00 C ATOM 1394 C PHE A 92 -2.544 15.508 21.942 1.00 0.00 C ATOM 1395 O PHE A 92 -2.439 15.670 23.157 1.00 0.00 O ATOM 1396 CB PHE A 92 -3.935 14.013 20.649 1.00 0.00 C ATOM 1397 CG PHE A 92 -5.352 13.607 20.428 1.00 0.00 C ATOM 1398 CD1 PHE A 92 -6.347 13.814 21.355 1.00 0.00 C ATOM 1399 CD2 PHE A 92 -5.662 13.160 19.166 1.00 0.00 C ATOM 1400 CE1 PHE A 92 -7.649 13.587 20.977 1.00 0.00 C ATOM 1401 CE2 PHE A 92 -6.981 12.957 18.836 1.00 0.00 C ATOM 1402 CZ PHE A 92 -8.012 13.276 19.688 1.00 0.00 C ATOM 0 H PHE A 92 -4.013 16.020 19.299 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.645 15.626 21.981 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.392 13.986 19.704 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.448 13.302 21.316 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.111 14.147 22.355 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.881 12.971 18.444 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -8.423 13.656 21.727 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -7.216 12.531 17.872 1.00 0.00 H new ATOM 0 HZ PHE A 92 -9.042 13.282 19.365 1.00 0.00 H new ATOM 1412 N ASP A 93 -1.423 15.435 21.203 1.00 0.00 N ATOM 1413 CA ASP A 93 -0.155 15.422 21.865 1.00 0.00 C ATOM 1414 C ASP A 93 0.245 16.696 22.525 1.00 0.00 C ATOM 1415 O ASP A 93 0.603 17.727 21.958 1.00 0.00 O ATOM 1416 CB ASP A 93 0.997 14.946 20.964 1.00 0.00 C ATOM 1417 CG ASP A 93 2.164 14.403 21.775 1.00 0.00 C ATOM 1418 OD1 ASP A 93 1.875 13.432 22.525 1.00 0.00 O ATOM 1419 OD2 ASP A 93 3.321 14.897 21.696 1.00 0.00 O ATOM 0 H ASP A 93 -1.390 15.387 20.185 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.327 14.695 22.659 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.633 14.172 20.288 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.340 15.775 20.345 1.00 0.00 H new ATOM 1424 N LYS A 94 0.292 16.595 23.866 1.00 0.00 N ATOM 1425 CA LYS A 94 0.522 17.605 24.852 1.00 0.00 C ATOM 1426 C LYS A 94 1.904 18.100 25.111 1.00 0.00 C ATOM 1427 O LYS A 94 2.216 19.288 25.163 1.00 0.00 O ATOM 1428 CB LYS A 94 -0.256 17.249 26.130 1.00 0.00 C ATOM 1429 CG LYS A 94 -0.648 18.397 27.062 1.00 0.00 C ATOM 1430 CD LYS A 94 -1.741 18.071 28.082 1.00 0.00 C ATOM 1431 CE LYS A 94 -2.060 19.219 29.042 1.00 0.00 C ATOM 1432 NZ LYS A 94 -2.648 20.386 28.347 1.00 0.00 N ATOM 0 H LYS A 94 0.150 15.688 24.310 1.00 0.00 H new ATOM 0 HA LYS A 94 0.134 18.508 24.382 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.168 16.729 25.835 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.343 16.541 26.702 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.241 18.725 27.600 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.981 19.238 26.454 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.650 17.794 27.549 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.434 17.201 28.662 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.752 18.868 29.807 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.148 19.526 29.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.390 21.257 28.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.284 20.430 27.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.684 20.292 28.326 1.00 0.00 H new ATOM 1446 N ASP A 95 2.789 17.112 25.335 1.00 0.00 N ATOM 1447 CA ASP A 95 4.118 17.283 25.834 1.00 0.00 C ATOM 1448 C ASP A 95 5.137 17.721 24.839 1.00 0.00 C ATOM 1449 O ASP A 95 6.201 18.270 25.119 1.00 0.00 O ATOM 1450 CB ASP A 95 4.472 16.018 26.635 1.00 0.00 C ATOM 1451 CG ASP A 95 4.443 14.767 25.769 1.00 0.00 C ATOM 1452 OD1 ASP A 95 4.352 14.784 24.513 1.00 0.00 O ATOM 1453 OD2 ASP A 95 4.450 13.668 26.386 1.00 0.00 O ATOM 0 H ASP A 95 2.562 16.134 25.156 1.00 0.00 H new ATOM 0 HA ASP A 95 4.139 18.148 26.497 1.00 0.00 H new ATOM 0 HB2 ASP A 95 5.463 16.132 27.073 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.770 15.904 27.461 1.00 0.00 H new ATOM 1458 N GLY A 96 4.904 17.427 23.548 1.00 0.00 N ATOM 1459 CA GLY A 96 5.631 17.815 22.379 1.00 0.00 C ATOM 1460 C GLY A 96 6.508 16.715 21.887 1.00 0.00 C ATOM 1461 O GLY A 96 7.280 16.972 20.964 1.00 0.00 O ATOM 0 H GLY A 96 4.105 16.844 23.297 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.932 18.102 21.594 1.00 0.00 H new ATOM 0 HA3 GLY A 96 6.238 18.693 22.602 1.00 0.00 H new ATOM 1465 N ASN A 97 6.407 15.461 22.361 1.00 0.00 N ATOM 1466 CA ASN A 97 7.174 14.363 21.857 1.00 0.00 C ATOM 1467 C ASN A 97 6.746 13.559 20.679 1.00 0.00 C ATOM 1468 O ASN A 97 7.556 13.005 19.937 1.00 0.00 O ATOM 1469 CB ASN A 97 7.454 13.474 23.080 1.00 0.00 C ATOM 1470 CG ASN A 97 6.378 12.629 23.749 1.00 0.00 C ATOM 1471 OD1 ASN A 97 5.326 12.425 23.145 1.00 0.00 O ATOM 1472 ND2 ASN A 97 6.693 12.142 24.979 1.00 0.00 N ATOM 0 H ASN A 97 5.773 15.202 23.117 1.00 0.00 H new ATOM 0 HA ASN A 97 8.034 14.833 21.379 1.00 0.00 H new ATOM 0 HB2 ASN A 97 8.251 12.789 22.790 1.00 0.00 H new ATOM 0 HB3 ASN A 97 7.860 14.127 23.852 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.028 11.552 25.480 1.00 0.00 H new ATOM 0 HD22 ASN A 97 7.594 12.367 25.401 1.00 0.00 H new ATOM 1479 N GLY A 98 5.435 13.582 20.376 1.00 0.00 N ATOM 1480 CA GLY A 98 4.935 12.890 19.229 1.00 0.00 C ATOM 1481 C GLY A 98 4.463 11.513 19.545 1.00 0.00 C ATOM 1482 O GLY A 98 4.341 10.649 18.677 1.00 0.00 O ATOM 0 H GLY A 98 4.727 14.075 20.920 1.00 0.00 H new ATOM 0 HA2 GLY A 98 4.113 13.460 18.796 1.00 0.00 H new ATOM 0 HA3 GLY A 98 5.718 12.836 18.473 1.00 0.00 H new ATOM 1486 N TYR A 99 4.152 11.269 20.831 1.00 0.00 N ATOM 1487 CA TYR A 99 3.621 10.022 21.289 1.00 0.00 C ATOM 1488 C TYR A 99 2.453 10.192 22.198 1.00 0.00 C ATOM 1489 O TYR A 99 2.720 10.590 23.331 1.00 0.00 O ATOM 1490 CB TYR A 99 4.761 9.270 21.994 1.00 0.00 C ATOM 1491 CG TYR A 99 5.856 8.861 21.069 1.00 0.00 C ATOM 1492 CD1 TYR A 99 5.634 7.903 20.109 1.00 0.00 C ATOM 1493 CD2 TYR A 99 7.067 9.498 21.198 1.00 0.00 C ATOM 1494 CE1 TYR A 99 6.688 7.533 19.306 1.00 0.00 C ATOM 1495 CE2 TYR A 99 8.073 9.178 20.317 1.00 0.00 C ATOM 1496 CZ TYR A 99 7.888 8.201 19.368 1.00 0.00 C ATOM 1497 OH TYR A 99 8.932 7.902 18.466 1.00 0.00 O ATOM 0 H TYR A 99 4.273 11.958 21.573 1.00 0.00 H new ATOM 0 HA TYR A 99 3.246 9.456 20.436 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.175 9.904 22.778 1.00 0.00 H new ATOM 0 HB3 TYR A 99 4.356 8.383 22.481 1.00 0.00 H new ATOM 0 HD1 TYR A 99 4.660 7.453 19.988 1.00 0.00 H new ATOM 0 HD2 TYR A 99 7.225 10.233 21.973 1.00 0.00 H new ATOM 0 HE1 TYR A 99 6.571 6.708 18.619 1.00 0.00 H new ATOM 0 HE2 TYR A 99 9.017 9.699 20.371 1.00 0.00 H new ATOM 0 HH TYR A 99 9.704 8.474 18.658 1.00 0.00 H new ATOM 1507 N ILE A 100 1.206 9.849 21.828 1.00 0.00 N ATOM 1508 CA ILE A 100 0.058 9.962 22.673 1.00 0.00 C ATOM 1509 C ILE A 100 0.053 8.947 23.764 1.00 0.00 C ATOM 1510 O ILE A 100 -0.088 7.758 23.482 1.00 0.00 O ATOM 1511 CB ILE A 100 -1.194 9.946 21.847 1.00 0.00 C ATOM 1512 CG1 ILE A 100 -1.230 11.095 20.825 1.00 0.00 C ATOM 1513 CG2 ILE A 100 -2.524 9.921 22.618 1.00 0.00 C ATOM 1514 CD1 ILE A 100 -2.179 10.982 19.632 1.00 0.00 C ATOM 0 H ILE A 100 0.989 9.478 20.903 1.00 0.00 H new ATOM 0 HA ILE A 100 0.102 10.924 23.184 1.00 0.00 H new ATOM 0 HB ILE A 100 -1.124 8.982 21.343 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.482 12.009 21.363 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.220 11.223 20.434 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.354 9.911 21.912 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.567 9.027 23.241 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.595 10.807 23.249 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.085 11.870 19.007 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.924 10.098 19.047 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.205 10.897 19.990 1.00 0.00 H new ATOM 1526 N SER A 101 0.084 9.347 25.048 1.00 0.00 N ATOM 1527 CA SER A 101 -0.368 8.532 26.133 1.00 0.00 C ATOM 1528 C SER A 101 -1.850 8.560 26.284 1.00 0.00 C ATOM 1529 O SER A 101 -2.609 9.371 25.754 1.00 0.00 O ATOM 1530 CB SER A 101 0.314 8.832 27.479 1.00 0.00 C ATOM 1531 OG SER A 101 -0.205 10.028 28.043 1.00 0.00 O ATOM 0 H SER A 101 0.432 10.260 25.339 1.00 0.00 H new ATOM 0 HA SER A 101 -0.065 7.523 25.853 1.00 0.00 H new ATOM 0 HB2 SER A 101 0.157 8.001 28.166 1.00 0.00 H new ATOM 0 HB3 SER A 101 1.390 8.928 27.335 1.00 0.00 H new ATOM 0 HG SER A 101 0.237 10.205 28.900 1.00 0.00 H new ATOM 1537 N ALA A 102 -2.410 7.590 27.029 1.00 0.00 N ATOM 1538 CA ALA A 102 -3.778 7.604 27.447 1.00 0.00 C ATOM 1539 C ALA A 102 -4.232 8.812 28.191 1.00 0.00 C ATOM 1540 O ALA A 102 -5.336 9.314 27.989 1.00 0.00 O ATOM 1541 CB ALA A 102 -3.875 6.347 28.328 1.00 0.00 C ATOM 0 H ALA A 102 -1.895 6.770 27.351 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.434 7.622 26.577 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.891 6.249 28.712 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -3.625 5.467 27.735 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -3.179 6.433 29.162 1.00 0.00 H new ATOM 1547 N ALA A 103 -3.374 9.536 28.932 1.00 0.00 N ATOM 1548 CA ALA A 103 -3.706 10.744 29.621 1.00 0.00 C ATOM 1549 C ALA A 103 -3.715 11.929 28.718 1.00 0.00 C ATOM 1550 O ALA A 103 -4.484 12.876 28.876 1.00 0.00 O ATOM 1551 CB ALA A 103 -2.668 10.987 30.729 1.00 0.00 C ATOM 0 H ALA A 103 -2.399 9.264 29.057 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.709 10.623 30.030 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.912 11.907 31.261 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.678 10.150 31.427 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.676 11.077 30.285 1.00 0.00 H new ATOM 1557 N GLU A 104 -2.817 11.933 27.717 1.00 0.00 N ATOM 1558 CA GLU A 104 -3.027 12.989 26.775 1.00 0.00 C ATOM 1559 C GLU A 104 -4.233 12.763 25.929 1.00 0.00 C ATOM 1560 O GLU A 104 -5.000 13.695 25.694 1.00 0.00 O ATOM 1561 CB GLU A 104 -1.813 13.120 25.840 1.00 0.00 C ATOM 1562 CG GLU A 104 -0.553 13.482 26.630 1.00 0.00 C ATOM 1563 CD GLU A 104 0.727 13.312 25.824 1.00 0.00 C ATOM 1564 OE1 GLU A 104 1.141 12.175 25.473 1.00 0.00 O ATOM 1565 OE2 GLU A 104 1.360 14.348 25.489 1.00 0.00 O ATOM 0 H GLU A 104 -2.038 11.293 27.564 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.170 13.898 27.359 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -1.656 12.182 25.307 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.008 13.885 25.088 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.628 14.516 26.968 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.499 12.858 27.522 1.00 0.00 H new ATOM 1572 N LEU A 105 -4.545 11.558 25.421 1.00 0.00 N ATOM 1573 CA LEU A 105 -5.802 11.176 24.856 1.00 0.00 C ATOM 1574 C LEU A 105 -7.011 11.591 25.621 1.00 0.00 C ATOM 1575 O LEU A 105 -7.907 12.223 25.064 1.00 0.00 O ATOM 1576 CB LEU A 105 -5.879 9.710 24.398 1.00 0.00 C ATOM 1577 CG LEU A 105 -7.069 9.480 23.451 1.00 0.00 C ATOM 1578 CD1 LEU A 105 -6.591 9.858 22.039 1.00 0.00 C ATOM 1579 CD2 LEU A 105 -7.431 7.987 23.371 1.00 0.00 C ATOM 0 H LEU A 105 -3.868 10.795 25.404 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.828 11.781 23.950 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.952 9.436 23.894 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.973 9.060 25.268 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.922 10.058 23.807 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.404 9.711 21.328 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.283 10.903 22.027 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.747 9.228 21.760 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -8.275 7.853 22.695 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.575 7.425 22.998 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.700 7.624 24.363 1.00 0.00 H new ATOM 1591 N ARG A 106 -7.079 11.421 26.954 1.00 0.00 N ATOM 1592 CA ARG A 106 -8.246 11.651 27.748 1.00 0.00 C ATOM 1593 C ARG A 106 -8.575 13.090 27.951 1.00 0.00 C ATOM 1594 O ARG A 106 -9.706 13.549 27.805 1.00 0.00 O ATOM 1595 CB ARG A 106 -8.077 10.984 29.123 1.00 0.00 C ATOM 1596 CG ARG A 106 -9.187 11.091 30.171 1.00 0.00 C ATOM 1597 CD ARG A 106 -8.739 10.287 31.393 1.00 0.00 C ATOM 1598 NE ARG A 106 -9.747 10.170 32.484 1.00 0.00 N ATOM 1599 CZ ARG A 106 -9.720 9.078 33.303 1.00 0.00 C ATOM 1600 NH1 ARG A 106 -8.694 8.181 33.376 1.00 0.00 N ATOM 1601 NH2 ARG A 106 -10.827 8.728 34.020 1.00 0.00 N ATOM 0 H ARG A 106 -6.280 11.107 27.505 1.00 0.00 H new ATOM 0 HA ARG A 106 -9.074 11.215 27.190 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -7.899 9.923 28.948 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.170 11.390 29.570 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.362 12.133 30.440 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -10.126 10.701 29.778 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -8.464 9.284 31.066 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -7.839 10.748 31.800 1.00 0.00 H new ATOM 0 HE ARG A 106 -10.449 10.898 32.617 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -7.868 8.302 32.790 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -8.753 7.390 34.017 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -11.679 9.283 33.945 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -10.802 7.911 34.631 1.00 0.00 H new ATOM 1615 N HIS A 107 -7.503 13.781 28.381 1.00 0.00 N ATOM 1616 CA HIS A 107 -7.561 15.149 28.794 1.00 0.00 C ATOM 1617 C HIS A 107 -8.011 16.082 27.723 1.00 0.00 C ATOM 1618 O HIS A 107 -8.924 16.887 27.904 1.00 0.00 O ATOM 1619 CB HIS A 107 -6.163 15.579 29.271 1.00 0.00 C ATOM 1620 CG HIS A 107 -6.017 17.068 29.377 1.00 0.00 C ATOM 1621 ND1 HIS A 107 -6.290 17.921 30.427 1.00 0.00 N ATOM 1622 CD2 HIS A 107 -5.584 17.846 28.349 1.00 0.00 C ATOM 1623 CE1 HIS A 107 -5.816 19.136 30.041 1.00 0.00 C ATOM 1624 NE2 HIS A 107 -5.360 19.130 28.802 1.00 0.00 N ATOM 0 H HIS A 107 -6.569 13.376 28.443 1.00 0.00 H new ATOM 0 HA HIS A 107 -8.301 15.207 29.592 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.961 15.129 30.243 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.414 15.193 28.580 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -6.750 17.689 31.307 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -5.438 17.510 27.333 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -5.813 20.009 30.677 1.00 0.00 H new ATOM 1632 N VAL A 108 -7.601 15.803 26.473 1.00 0.00 N ATOM 1633 CA VAL A 108 -7.937 16.485 25.261 1.00 0.00 C ATOM 1634 C VAL A 108 -9.342 16.185 24.866 1.00 0.00 C ATOM 1635 O VAL A 108 -10.086 17.097 24.509 1.00 0.00 O ATOM 1636 CB VAL A 108 -6.954 16.380 24.133 1.00 0.00 C ATOM 1637 CG1 VAL A 108 -7.457 17.073 22.856 1.00 0.00 C ATOM 1638 CG2 VAL A 108 -5.609 16.946 24.619 1.00 0.00 C ATOM 0 H VAL A 108 -6.971 15.021 26.296 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.862 17.545 25.502 1.00 0.00 H new ATOM 0 HB VAL A 108 -6.827 15.334 23.854 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -6.711 16.970 22.068 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -8.390 16.611 22.535 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.627 18.130 23.059 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.875 16.881 23.816 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.737 17.989 24.910 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.260 16.370 25.476 1.00 0.00 H new ATOM 1648 N MET A 109 -9.775 14.914 24.944 1.00 0.00 N ATOM 1649 CA MET A 109 -11.151 14.578 24.748 1.00 0.00 C ATOM 1650 C MET A 109 -12.035 15.203 25.772 1.00 0.00 C ATOM 1651 O MET A 109 -13.002 15.784 25.282 1.00 0.00 O ATOM 1652 CB MET A 109 -11.406 13.070 24.591 1.00 0.00 C ATOM 1653 CG MET A 109 -10.813 12.426 23.336 1.00 0.00 C ATOM 1654 SD MET A 109 -11.135 13.360 21.810 1.00 0.00 S ATOM 1655 CE MET A 109 -12.760 12.641 21.436 1.00 0.00 C ATOM 0 H MET A 109 -9.170 14.117 25.143 1.00 0.00 H new ATOM 0 HA MET A 109 -11.422 15.013 23.786 1.00 0.00 H new ATOM 0 HB2 MET A 109 -11.003 12.559 25.465 1.00 0.00 H new ATOM 0 HB3 MET A 109 -12.483 12.900 24.591 1.00 0.00 H new ATOM 0 HG2 MET A 109 -9.736 12.322 23.467 1.00 0.00 H new ATOM 0 HG3 MET A 109 -11.220 11.420 23.228 1.00 0.00 H new ATOM 0 HE1 MET A 109 -13.150 13.082 20.519 1.00 0.00 H new ATOM 0 HE2 MET A 109 -12.660 11.563 21.307 1.00 0.00 H new ATOM 0 HE3 MET A 109 -13.446 12.846 22.258 1.00 0.00 H new ATOM 1665 N THR A 110 -11.647 15.291 27.057 1.00 0.00 N ATOM 1666 CA THR A 110 -12.536 15.981 27.940 1.00 0.00 C ATOM 1667 C THR A 110 -12.494 17.469 27.882 1.00 0.00 C ATOM 1668 O THR A 110 -13.435 18.092 28.369 1.00 0.00 O ATOM 1669 CB THR A 110 -12.301 15.592 29.370 1.00 0.00 C ATOM 1670 OG1 THR A 110 -10.918 15.650 29.687 1.00 0.00 O ATOM 1671 CG2 THR A 110 -12.713 14.115 29.491 1.00 0.00 C ATOM 0 H THR A 110 -10.789 14.918 27.462 1.00 0.00 H new ATOM 0 HA THR A 110 -13.516 15.668 27.579 1.00 0.00 H new ATOM 0 HB THR A 110 -12.857 16.260 30.029 1.00 0.00 H new ATOM 0 HG1 THR A 110 -10.452 16.195 29.019 1.00 0.00 H new ATOM 0 HG21 THR A 110 -12.562 13.778 30.516 1.00 0.00 H new ATOM 0 HG22 THR A 110 -13.765 14.008 29.225 1.00 0.00 H new ATOM 0 HG23 THR A 110 -12.105 13.511 28.817 1.00 0.00 H new ATOM 1679 N ASN A 111 -11.474 18.120 27.293 1.00 0.00 N ATOM 1680 CA ASN A 111 -11.487 19.505 26.938 1.00 0.00 C ATOM 1681 C ASN A 111 -12.544 19.761 25.920 1.00 0.00 C ATOM 1682 O ASN A 111 -13.264 20.752 26.027 1.00 0.00 O ATOM 1683 CB ASN A 111 -10.138 19.908 26.317 1.00 0.00 C ATOM 1684 CG ASN A 111 -8.990 19.934 27.316 1.00 0.00 C ATOM 1685 OD1 ASN A 111 -9.006 20.062 28.539 1.00 0.00 O ATOM 1686 ND2 ASN A 111 -7.785 19.877 26.689 1.00 0.00 N ATOM 0 H ASN A 111 -10.598 17.657 27.053 1.00 0.00 H new ATOM 0 HA ASN A 111 -11.677 20.082 27.843 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -9.895 19.212 25.515 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.236 20.894 25.864 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -6.924 19.940 27.232 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -7.742 19.771 25.675 1.00 0.00 H new ATOM 1693 N LEU A 112 -12.716 18.949 24.861 1.00 0.00 N ATOM 1694 CA LEU A 112 -13.686 19.127 23.826 1.00 0.00 C ATOM 1695 C LEU A 112 -15.072 19.086 24.371 1.00 0.00 C ATOM 1696 O LEU A 112 -15.924 19.792 23.833 1.00 0.00 O ATOM 1697 CB LEU A 112 -13.553 18.123 22.669 1.00 0.00 C ATOM 1698 CG LEU A 112 -12.149 18.273 22.058 1.00 0.00 C ATOM 1699 CD1 LEU A 112 -11.787 17.059 21.187 1.00 0.00 C ATOM 1700 CD2 LEU A 112 -11.758 19.629 21.447 1.00 0.00 C ATOM 0 H LEU A 112 -12.142 18.118 24.720 1.00 0.00 H new ATOM 0 HA LEU A 112 -13.483 20.115 23.412 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -13.703 17.106 23.030 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -14.317 18.310 21.915 1.00 0.00 H new ATOM 0 HG LEU A 112 -11.497 18.281 22.932 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.789 17.195 20.770 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -11.805 16.156 21.797 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.510 16.964 20.376 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -10.741 19.574 21.059 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -12.443 19.873 20.635 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -11.813 20.403 22.213 1.00 0.00 H new ATOM 1712 N GLY A 113 -15.396 18.153 25.284 1.00 0.00 N ATOM 1713 CA GLY A 113 -16.721 17.918 25.769 1.00 0.00 C ATOM 1714 C GLY A 113 -17.237 16.524 25.674 1.00 0.00 C ATOM 1715 O GLY A 113 -18.428 16.348 25.926 1.00 0.00 O ATOM 0 H GLY A 113 -14.702 17.534 25.703 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -16.758 18.223 26.815 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -17.403 18.570 25.223 1.00 0.00 H new ATOM 1719 N GLU A 114 -16.277 15.634 25.365 1.00 0.00 N ATOM 1720 CA GLU A 114 -16.633 14.249 25.380 1.00 0.00 C ATOM 1721 C GLU A 114 -16.121 13.566 26.601 1.00 0.00 C ATOM 1722 O GLU A 114 -14.923 13.715 26.842 1.00 0.00 O ATOM 1723 CB GLU A 114 -15.968 13.561 24.176 1.00 0.00 C ATOM 1724 CG GLU A 114 -16.301 12.099 23.869 1.00 0.00 C ATOM 1725 CD GLU A 114 -17.674 11.953 23.230 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -18.640 11.801 24.024 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -17.838 12.167 21.999 1.00 0.00 O ATOM 0 H GLU A 114 -15.311 15.852 25.119 1.00 0.00 H new ATOM 0 HA GLU A 114 -17.721 14.183 25.352 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -16.212 14.146 23.289 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -14.889 13.629 24.315 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -15.544 11.686 23.202 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -16.265 11.517 24.790 1.00 0.00 H new ATOM 1734 N LYS A 115 -16.947 12.807 27.342 1.00 0.00 N ATOM 1735 CA LYS A 115 -16.423 12.396 28.608 1.00 0.00 C ATOM 1736 C LYS A 115 -16.033 10.964 28.475 1.00 0.00 C ATOM 1737 O LYS A 115 -16.716 10.171 27.828 1.00 0.00 O ATOM 1738 CB LYS A 115 -17.578 12.506 29.617 1.00 0.00 C ATOM 1739 CG LYS A 115 -17.950 13.959 29.920 1.00 0.00 C ATOM 1740 CD LYS A 115 -18.882 14.012 31.132 1.00 0.00 C ATOM 1741 CE LYS A 115 -20.371 13.800 30.851 1.00 0.00 C ATOM 1742 NZ LYS A 115 -20.883 14.640 29.746 1.00 0.00 N ATOM 0 H LYS A 115 -17.889 12.500 27.100 1.00 0.00 H new ATOM 0 HA LYS A 115 -15.570 12.996 28.925 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -18.451 11.984 29.224 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -17.297 12.005 30.543 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -17.050 14.541 30.116 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -18.438 14.407 29.054 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -18.557 13.256 31.847 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -18.760 14.981 31.616 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -20.542 12.751 30.610 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -20.939 14.016 31.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -21.922 14.674 29.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -20.501 15.603 29.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -20.586 14.234 28.835 1.00 0.00 H new ATOM 1756 N LEU A 116 -14.841 10.598 28.979 1.00 0.00 N ATOM 1757 CA LEU A 116 -14.265 9.289 28.993 1.00 0.00 C ATOM 1758 C LEU A 116 -14.051 8.888 30.411 1.00 0.00 C ATOM 1759 O LEU A 116 -13.564 9.564 31.316 1.00 0.00 O ATOM 1760 CB LEU A 116 -12.992 9.395 28.137 1.00 0.00 C ATOM 1761 CG LEU A 116 -13.218 9.743 26.656 1.00 0.00 C ATOM 1762 CD1 LEU A 116 -11.947 9.716 25.791 1.00 0.00 C ATOM 1763 CD2 LEU A 116 -14.099 8.734 25.899 1.00 0.00 C ATOM 0 H LEU A 116 -14.225 11.283 29.417 1.00 0.00 H new ATOM 0 HA LEU A 116 -14.890 8.503 28.569 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -12.342 10.153 28.575 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -12.458 8.446 28.192 1.00 0.00 H new ATOM 0 HG LEU A 116 -13.660 10.734 26.757 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -12.201 9.974 24.763 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -11.228 10.437 26.179 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -11.510 8.718 25.818 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -14.209 9.053 24.862 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -13.632 7.749 25.928 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -15.081 8.684 26.369 1.00 0.00 H new ATOM 1775 N THR A 117 -14.428 7.624 30.676 1.00 0.00 N ATOM 1776 CA THR A 117 -13.942 6.793 31.733 1.00 0.00 C ATOM 1777 C THR A 117 -12.642 6.154 31.384 1.00 0.00 C ATOM 1778 O THR A 117 -12.132 6.275 30.271 1.00 0.00 O ATOM 1779 CB THR A 117 -14.864 5.715 32.222 1.00 0.00 C ATOM 1780 OG1 THR A 117 -15.319 4.825 31.213 1.00 0.00 O ATOM 1781 CG2 THR A 117 -16.153 6.407 32.696 1.00 0.00 C ATOM 0 H THR A 117 -15.127 7.148 30.106 1.00 0.00 H new ATOM 0 HA THR A 117 -13.839 7.507 32.550 1.00 0.00 H new ATOM 0 HB THR A 117 -14.304 5.157 32.972 1.00 0.00 H new ATOM 0 HG1 THR A 117 -15.973 5.282 30.644 1.00 0.00 H new ATOM 0 HG21 THR A 117 -16.855 5.658 33.062 1.00 0.00 H new ATOM 0 HG22 THR A 117 -15.917 7.105 33.499 1.00 0.00 H new ATOM 0 HG23 THR A 117 -16.602 6.949 31.864 1.00 0.00 H new ATOM 1789 N ASP A 118 -11.923 5.583 32.367 1.00 0.00 N ATOM 1790 CA ASP A 118 -10.657 4.943 32.183 1.00 0.00 C ATOM 1791 C ASP A 118 -10.673 3.815 31.210 1.00 0.00 C ATOM 1792 O ASP A 118 -9.728 3.663 30.437 1.00 0.00 O ATOM 1793 CB ASP A 118 -10.104 4.513 33.553 1.00 0.00 C ATOM 1794 CG ASP A 118 -9.994 5.564 34.648 1.00 0.00 C ATOM 1795 OD1 ASP A 118 -11.050 6.154 35.001 1.00 0.00 O ATOM 1796 OD2 ASP A 118 -8.861 5.955 35.037 1.00 0.00 O ATOM 0 H ASP A 118 -12.240 5.567 33.336 1.00 0.00 H new ATOM 0 HA ASP A 118 -9.990 5.676 31.728 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -10.734 3.707 33.928 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -9.111 4.093 33.394 1.00 0.00 H new ATOM 1801 N GLU A 119 -11.733 2.989 31.278 1.00 0.00 N ATOM 1802 CA GLU A 119 -11.879 1.917 30.343 1.00 0.00 C ATOM 1803 C GLU A 119 -12.025 2.262 28.900 1.00 0.00 C ATOM 1804 O GLU A 119 -11.426 1.624 28.036 1.00 0.00 O ATOM 1805 CB GLU A 119 -13.044 0.941 30.580 1.00 0.00 C ATOM 1806 CG GLU A 119 -12.791 -0.004 31.757 1.00 0.00 C ATOM 1807 CD GLU A 119 -12.842 0.728 33.090 1.00 0.00 C ATOM 1808 OE1 GLU A 119 -13.804 1.491 33.373 1.00 0.00 O ATOM 1809 OE2 GLU A 119 -11.914 0.448 33.895 1.00 0.00 O ATOM 0 H GLU A 119 -12.479 3.061 31.970 1.00 0.00 H new ATOM 0 HA GLU A 119 -10.907 1.470 30.549 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -13.956 1.508 30.764 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -13.210 0.354 29.677 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -13.536 -0.800 31.751 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -11.817 -0.478 31.640 1.00 0.00 H new ATOM 1816 N GLU A 120 -12.812 3.320 28.636 1.00 0.00 N ATOM 1817 CA GLU A 120 -12.964 3.905 27.340 1.00 0.00 C ATOM 1818 C GLU A 120 -11.678 4.428 26.797 1.00 0.00 C ATOM 1819 O GLU A 120 -11.362 4.184 25.634 1.00 0.00 O ATOM 1820 CB GLU A 120 -13.990 5.042 27.478 1.00 0.00 C ATOM 1821 CG GLU A 120 -15.437 4.620 27.742 1.00 0.00 C ATOM 1822 CD GLU A 120 -16.263 5.867 28.022 1.00 0.00 C ATOM 1823 OE1 GLU A 120 -16.809 6.486 27.070 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -16.551 6.133 29.219 1.00 0.00 O ATOM 0 H GLU A 120 -13.365 3.787 29.355 1.00 0.00 H new ATOM 0 HA GLU A 120 -13.301 3.145 26.635 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -13.670 5.695 28.290 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -13.968 5.636 26.564 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -15.838 4.086 26.881 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -15.483 3.937 28.590 1.00 0.00 H new ATOM 1831 N VAL A 121 -10.821 5.081 27.602 1.00 0.00 N ATOM 1832 CA VAL A 121 -9.508 5.490 27.210 1.00 0.00 C ATOM 1833 C VAL A 121 -8.635 4.307 26.965 1.00 0.00 C ATOM 1834 O VAL A 121 -7.913 4.274 25.969 1.00 0.00 O ATOM 1835 CB VAL A 121 -8.937 6.394 28.262 1.00 0.00 C ATOM 1836 CG1 VAL A 121 -7.532 6.927 27.934 1.00 0.00 C ATOM 1837 CG2 VAL A 121 -9.840 7.635 28.356 1.00 0.00 C ATOM 0 H VAL A 121 -11.052 5.334 28.563 1.00 0.00 H new ATOM 0 HA VAL A 121 -9.564 6.042 26.272 1.00 0.00 H new ATOM 0 HB VAL A 121 -8.879 5.804 29.176 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -7.190 7.572 28.743 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -6.843 6.090 27.821 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -7.567 7.497 27.005 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -9.449 8.313 29.115 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -9.861 8.143 27.392 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -10.851 7.330 28.628 1.00 0.00 H new ATOM 1847 N ASP A 122 -8.620 3.279 27.832 1.00 0.00 N ATOM 1848 CA ASP A 122 -7.811 2.114 27.651 1.00 0.00 C ATOM 1849 C ASP A 122 -8.057 1.513 26.310 1.00 0.00 C ATOM 1850 O ASP A 122 -7.133 1.178 25.570 1.00 0.00 O ATOM 1851 CB ASP A 122 -8.211 1.100 28.736 1.00 0.00 C ATOM 1852 CG ASP A 122 -7.197 -0.034 28.690 1.00 0.00 C ATOM 1853 OD1 ASP A 122 -6.002 0.169 29.035 1.00 0.00 O ATOM 1854 OD2 ASP A 122 -7.596 -1.125 28.203 1.00 0.00 O ATOM 0 H ASP A 122 -9.185 3.257 28.681 1.00 0.00 H new ATOM 0 HA ASP A 122 -6.756 2.378 27.723 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -8.217 1.571 29.719 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -9.218 0.723 28.557 1.00 0.00 H new ATOM 1859 N GLU A 123 -9.339 1.196 26.054 1.00 0.00 N ATOM 1860 CA GLU A 123 -9.788 0.561 24.854 1.00 0.00 C ATOM 1861 C GLU A 123 -9.270 1.130 23.578 1.00 0.00 C ATOM 1862 O GLU A 123 -8.762 0.450 22.687 1.00 0.00 O ATOM 1863 CB GLU A 123 -11.320 0.460 24.760 1.00 0.00 C ATOM 1864 CG GLU A 123 -11.804 -0.648 23.822 1.00 0.00 C ATOM 1865 CD GLU A 123 -13.325 -0.584 23.796 1.00 0.00 C ATOM 1866 OE1 GLU A 123 -13.863 0.477 23.380 1.00 0.00 O ATOM 1867 OE2 GLU A 123 -13.924 -1.537 24.361 1.00 0.00 O ATOM 0 H GLU A 123 -10.094 1.391 26.711 1.00 0.00 H new ATOM 0 HA GLU A 123 -9.351 -0.432 24.956 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -11.726 0.284 25.756 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -11.718 1.415 24.417 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -11.396 -0.510 22.821 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -11.466 -1.623 24.172 1.00 0.00 H new ATOM 1874 N MET A 124 -9.259 2.465 23.417 1.00 0.00 N ATOM 1875 CA MET A 124 -8.870 3.200 22.253 1.00 0.00 C ATOM 1876 C MET A 124 -7.392 3.058 22.133 1.00 0.00 C ATOM 1877 O MET A 124 -6.944 2.618 21.075 1.00 0.00 O ATOM 1878 CB MET A 124 -9.176 4.702 22.376 1.00 0.00 C ATOM 1879 CG MET A 124 -10.682 4.958 22.470 1.00 0.00 C ATOM 1880 SD MET A 124 -11.149 6.652 22.934 1.00 0.00 S ATOM 1881 CE MET A 124 -12.943 6.679 22.658 1.00 0.00 C ATOM 0 H MET A 124 -9.550 3.086 24.173 1.00 0.00 H new ATOM 0 HA MET A 124 -9.420 2.812 21.395 1.00 0.00 H new ATOM 0 HB2 MET A 124 -8.681 5.105 23.260 1.00 0.00 H new ATOM 0 HB3 MET A 124 -8.769 5.230 21.514 1.00 0.00 H new ATOM 0 HG2 MET A 124 -11.135 4.724 21.507 1.00 0.00 H new ATOM 0 HG3 MET A 124 -11.107 4.268 23.199 1.00 0.00 H new ATOM 0 HE1 MET A 124 -13.335 7.665 22.909 1.00 0.00 H new ATOM 0 HE2 MET A 124 -13.153 6.461 21.611 1.00 0.00 H new ATOM 0 HE3 MET A 124 -13.419 5.928 23.288 1.00 0.00 H new ATOM 1891 N ILE A 125 -6.552 3.389 23.130 1.00 0.00 N ATOM 1892 CA ILE A 125 -5.129 3.272 23.218 1.00 0.00 C ATOM 1893 C ILE A 125 -4.594 1.886 23.107 1.00 0.00 C ATOM 1894 O ILE A 125 -3.568 1.623 22.481 1.00 0.00 O ATOM 1895 CB ILE A 125 -4.816 3.821 24.578 1.00 0.00 C ATOM 1896 CG1 ILE A 125 -5.051 5.331 24.759 1.00 0.00 C ATOM 1897 CG2 ILE A 125 -3.383 3.502 25.035 1.00 0.00 C ATOM 1898 CD1 ILE A 125 -4.158 6.211 23.885 1.00 0.00 C ATOM 0 H ILE A 125 -6.927 3.793 23.988 1.00 0.00 H new ATOM 0 HA ILE A 125 -4.666 3.795 22.382 1.00 0.00 H new ATOM 0 HB ILE A 125 -5.542 3.302 25.204 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -6.094 5.555 24.535 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -4.887 5.591 25.805 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -3.214 3.924 26.026 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -3.245 2.421 25.073 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -2.672 3.934 24.331 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -4.386 7.260 24.072 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.112 6.019 24.124 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -4.338 5.982 22.835 1.00 0.00 H new ATOM 1910 N ARG A 126 -5.371 0.894 23.576 1.00 0.00 N ATOM 1911 CA ARG A 126 -5.084 -0.503 23.460 1.00 0.00 C ATOM 1912 C ARG A 126 -5.020 -0.992 22.054 1.00 0.00 C ATOM 1913 O ARG A 126 -4.057 -1.662 21.685 1.00 0.00 O ATOM 1914 CB ARG A 126 -6.220 -1.272 24.155 1.00 0.00 C ATOM 1915 CG ARG A 126 -6.112 -2.793 24.286 1.00 0.00 C ATOM 1916 CD ARG A 126 -7.447 -3.476 24.587 1.00 0.00 C ATOM 1917 NE ARG A 126 -8.224 -2.668 25.569 1.00 0.00 N ATOM 1918 CZ ARG A 126 -9.502 -2.913 25.980 1.00 0.00 C ATOM 1919 NH1 ARG A 126 -10.302 -3.723 25.226 1.00 0.00 N ATOM 1920 NH2 ARG A 126 -9.958 -2.395 27.158 1.00 0.00 N ATOM 0 H ARG A 126 -6.248 1.077 24.063 1.00 0.00 H new ATOM 0 HA ARG A 126 -4.104 -0.665 23.909 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -6.329 -0.862 25.159 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -7.143 -1.052 23.618 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -5.704 -3.201 23.361 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -5.404 -3.032 25.079 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -8.020 -3.594 23.667 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -7.272 -4.476 24.984 1.00 0.00 H new ATOM 0 HE ARG A 126 -7.757 -1.856 25.972 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -9.942 -4.137 24.366 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -11.259 -3.914 25.523 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -9.343 -1.822 27.735 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -10.914 -2.581 27.461 1.00 0.00 H new ATOM 1934 N GLU A 127 -6.090 -0.739 21.279 1.00 0.00 N ATOM 1935 CA GLU A 127 -6.171 -1.178 19.921 1.00 0.00 C ATOM 1936 C GLU A 127 -5.494 -0.323 18.906 1.00 0.00 C ATOM 1937 O GLU A 127 -4.795 -0.895 18.071 1.00 0.00 O ATOM 1938 CB GLU A 127 -7.589 -1.477 19.408 1.00 0.00 C ATOM 1939 CG GLU A 127 -8.285 -2.523 20.282 1.00 0.00 C ATOM 1940 CD GLU A 127 -9.414 -3.127 19.460 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -10.327 -2.370 19.033 1.00 0.00 O ATOM 1942 OE2 GLU A 127 -9.402 -4.363 19.216 1.00 0.00 O ATOM 0 H GLU A 127 -6.910 -0.223 21.599 1.00 0.00 H new ATOM 0 HA GLU A 127 -5.613 -2.110 20.009 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -8.176 -0.559 19.398 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -7.539 -1.834 18.379 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -7.580 -3.295 20.591 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -8.675 -2.065 21.191 1.00 0.00 H new ATOM 1949 N ALA A 128 -5.443 0.989 19.198 1.00 0.00 N ATOM 1950 CA ALA A 128 -4.617 1.937 18.517 1.00 0.00 C ATOM 1951 C ALA A 128 -3.161 1.637 18.616 1.00 0.00 C ATOM 1952 O ALA A 128 -2.590 1.683 17.527 1.00 0.00 O ATOM 1953 CB ALA A 128 -4.705 3.298 19.229 1.00 0.00 C ATOM 0 H ALA A 128 -6.002 1.407 19.942 1.00 0.00 H new ATOM 0 HA ALA A 128 -4.968 1.916 17.485 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.076 4.021 18.710 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -5.738 3.646 19.223 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -4.364 3.193 20.259 1.00 0.00 H new ATOM 1959 N ASP A 129 -2.564 1.219 19.746 1.00 0.00 N ATOM 1960 CA ASP A 129 -1.209 0.848 20.015 1.00 0.00 C ATOM 1961 C ASP A 129 -0.913 -0.473 19.393 1.00 0.00 C ATOM 1962 O ASP A 129 -1.426 -1.536 19.738 1.00 0.00 O ATOM 1963 CB ASP A 129 -0.666 0.886 21.454 1.00 0.00 C ATOM 1964 CG ASP A 129 0.811 0.530 21.547 1.00 0.00 C ATOM 1965 OD1 ASP A 129 1.732 1.023 20.843 1.00 0.00 O ATOM 1966 OD2 ASP A 129 1.032 -0.439 22.321 1.00 0.00 O ATOM 0 H ASP A 129 -3.122 1.130 20.595 1.00 0.00 H new ATOM 0 HA ASP A 129 -0.665 1.677 19.562 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -0.820 1.883 21.867 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -1.240 0.194 22.070 1.00 0.00 H new ATOM 1971 N ILE A 130 -0.021 -0.413 18.388 1.00 0.00 N ATOM 1972 CA ILE A 130 0.454 -1.538 17.644 1.00 0.00 C ATOM 1973 C ILE A 130 1.722 -2.145 18.136 1.00 0.00 C ATOM 1974 O ILE A 130 1.812 -3.333 18.443 1.00 0.00 O ATOM 1975 CB ILE A 130 0.481 -1.027 16.234 1.00 0.00 C ATOM 1976 CG1 ILE A 130 -0.932 -1.037 15.628 1.00 0.00 C ATOM 1977 CG2 ILE A 130 1.457 -1.842 15.369 1.00 0.00 C ATOM 1978 CD1 ILE A 130 -1.086 -0.550 14.188 1.00 0.00 C ATOM 0 H ILE A 130 0.390 0.468 18.078 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.195 -2.407 17.752 1.00 0.00 H new ATOM 0 HB ILE A 130 0.836 0.003 16.254 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -1.313 -2.057 15.681 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -1.574 -0.424 16.261 1.00 0.00 H new ATOM 0 HG21 ILE A 130 1.456 -1.450 14.352 1.00 0.00 H new ATOM 0 HG22 ILE A 130 2.461 -1.768 15.786 1.00 0.00 H new ATOM 0 HG23 ILE A 130 1.146 -2.887 15.355 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -2.133 -0.612 13.893 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -0.749 0.484 14.116 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -0.485 -1.174 13.527 1.00 0.00 H new ATOM 1990 N ASP A 131 2.859 -1.455 18.338 1.00 0.00 N ATOM 1991 CA ASP A 131 4.160 -1.967 18.640 1.00 0.00 C ATOM 1992 C ASP A 131 4.521 -2.067 20.082 1.00 0.00 C ATOM 1993 O ASP A 131 5.684 -2.185 20.466 1.00 0.00 O ATOM 1994 CB ASP A 131 5.263 -1.406 17.727 1.00 0.00 C ATOM 1995 CG ASP A 131 5.384 0.104 17.874 1.00 0.00 C ATOM 1996 OD1 ASP A 131 4.392 0.870 18.004 1.00 0.00 O ATOM 1997 OD2 ASP A 131 6.521 0.647 17.854 1.00 0.00 O ATOM 0 H ASP A 131 2.865 -0.436 18.284 1.00 0.00 H new ATOM 0 HA ASP A 131 4.080 -3.022 18.378 1.00 0.00 H new ATOM 0 HB2 ASP A 131 6.216 -1.875 17.973 1.00 0.00 H new ATOM 0 HB3 ASP A 131 5.042 -1.656 16.689 1.00 0.00 H new ATOM 2002 N GLY A 132 3.471 -2.325 20.882 1.00 0.00 N ATOM 2003 CA GLY A 132 3.730 -2.794 22.208 1.00 0.00 C ATOM 2004 C GLY A 132 4.066 -1.882 23.338 1.00 0.00 C ATOM 2005 O GLY A 132 3.827 -2.263 24.483 1.00 0.00 O ATOM 0 H GLY A 132 2.489 -2.216 20.629 1.00 0.00 H new ATOM 0 HA2 GLY A 132 2.848 -3.357 22.515 1.00 0.00 H new ATOM 0 HA3 GLY A 132 4.551 -3.506 22.130 1.00 0.00 H new ATOM 2009 N ASP A 133 4.475 -0.642 23.013 1.00 0.00 N ATOM 2010 CA ASP A 133 5.021 0.278 23.962 1.00 0.00 C ATOM 2011 C ASP A 133 4.012 0.796 24.928 1.00 0.00 C ATOM 2012 O ASP A 133 4.250 1.038 26.110 1.00 0.00 O ATOM 2013 CB ASP A 133 5.838 1.322 23.182 1.00 0.00 C ATOM 2014 CG ASP A 133 5.110 1.875 21.966 1.00 0.00 C ATOM 2015 OD1 ASP A 133 5.051 1.132 20.950 1.00 0.00 O ATOM 2016 OD2 ASP A 133 4.534 2.996 21.980 1.00 0.00 O ATOM 0 H ASP A 133 4.425 -0.269 22.065 1.00 0.00 H new ATOM 0 HA ASP A 133 5.710 -0.222 24.643 1.00 0.00 H new ATOM 0 HB2 ASP A 133 6.092 2.146 23.849 1.00 0.00 H new ATOM 0 HB3 ASP A 133 6.777 0.871 22.860 1.00 0.00 H new ATOM 2021 N GLY A 134 2.773 1.018 24.455 1.00 0.00 N ATOM 2022 CA GLY A 134 1.713 1.632 25.193 1.00 0.00 C ATOM 2023 C GLY A 134 1.196 2.812 24.444 1.00 0.00 C ATOM 2024 O GLY A 134 0.071 3.288 24.586 1.00 0.00 O ATOM 0 H GLY A 134 2.496 0.756 23.509 1.00 0.00 H new ATOM 0 HA2 GLY A 134 0.910 0.914 25.359 1.00 0.00 H new ATOM 0 HA3 GLY A 134 2.072 1.941 26.175 1.00 0.00 H new ATOM 2028 N GLN A 135 2.084 3.547 23.751 1.00 0.00 N ATOM 2029 CA GLN A 135 1.853 4.887 23.307 1.00 0.00 C ATOM 2030 C GLN A 135 1.642 4.917 21.832 1.00 0.00 C ATOM 2031 O GLN A 135 2.176 4.117 21.066 1.00 0.00 O ATOM 2032 CB GLN A 135 3.002 5.861 23.617 1.00 0.00 C ATOM 2033 CG GLN A 135 3.040 6.093 25.129 1.00 0.00 C ATOM 2034 CD GLN A 135 4.123 7.090 25.517 1.00 0.00 C ATOM 2035 OE1 GLN A 135 3.911 8.258 25.840 1.00 0.00 O ATOM 2036 NE2 GLN A 135 5.375 6.591 25.343 1.00 0.00 N ATOM 0 H GLN A 135 3.003 3.192 23.489 1.00 0.00 H new ATOM 0 HA GLN A 135 0.970 5.213 23.857 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.951 5.451 23.272 1.00 0.00 H new ATOM 0 HB3 GLN A 135 2.852 6.804 23.092 1.00 0.00 H new ATOM 0 HG2 GLN A 135 2.070 6.459 25.466 1.00 0.00 H new ATOM 0 HG3 GLN A 135 3.217 5.146 25.638 1.00 0.00 H new ATOM 0 HE21 GLN A 135 5.502 5.615 25.075 1.00 0.00 H new ATOM 0 HE22 GLN A 135 6.187 7.192 25.481 1.00 0.00 H new ATOM 2045 N VAL A 136 0.754 5.846 21.435 1.00 0.00 N ATOM 2046 CA VAL A 136 0.228 5.887 20.106 1.00 0.00 C ATOM 2047 C VAL A 136 1.048 6.867 19.339 1.00 0.00 C ATOM 2048 O VAL A 136 1.052 8.045 19.692 1.00 0.00 O ATOM 2049 CB VAL A 136 -1.236 6.195 20.217 1.00 0.00 C ATOM 2050 CG1 VAL A 136 -1.999 6.525 18.923 1.00 0.00 C ATOM 2051 CG2 VAL A 136 -1.862 4.947 20.861 1.00 0.00 C ATOM 0 H VAL A 136 0.396 6.580 22.046 1.00 0.00 H new ATOM 0 HA VAL A 136 0.293 4.948 19.556 1.00 0.00 H new ATOM 0 HB VAL A 136 -1.320 7.119 20.789 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -3.044 6.725 19.158 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -1.557 7.404 18.454 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -1.937 5.679 18.238 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -2.936 5.096 20.976 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -1.682 4.080 20.225 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -1.413 4.778 21.840 1.00 0.00 H new ATOM 2061 N ASN A 137 1.757 6.391 18.300 1.00 0.00 N ATOM 2062 CA ASN A 137 2.591 7.239 17.506 1.00 0.00 C ATOM 2063 C ASN A 137 1.778 7.658 16.329 1.00 0.00 C ATOM 2064 O ASN A 137 0.625 7.260 16.173 1.00 0.00 O ATOM 2065 CB ASN A 137 3.971 6.605 17.263 1.00 0.00 C ATOM 2066 CG ASN A 137 4.200 5.599 16.143 1.00 0.00 C ATOM 2067 OD1 ASN A 137 3.621 5.673 15.061 1.00 0.00 O ATOM 2068 ND2 ASN A 137 5.150 4.655 16.381 1.00 0.00 N ATOM 0 H ASN A 137 1.752 5.414 18.009 1.00 0.00 H new ATOM 0 HA ASN A 137 2.886 8.162 18.006 1.00 0.00 H new ATOM 0 HB2 ASN A 137 4.671 7.424 17.101 1.00 0.00 H new ATOM 0 HB3 ASN A 137 4.263 6.116 18.192 1.00 0.00 H new ATOM 0 HD21 ASN A 137 5.398 3.986 15.652 1.00 0.00 H new ATOM 0 HD22 ASN A 137 5.615 4.616 17.288 1.00 0.00 H new ATOM 2075 N TYR A 138 2.372 8.407 15.383 1.00 0.00 N ATOM 2076 CA TYR A 138 1.665 9.011 14.296 1.00 0.00 C ATOM 2077 C TYR A 138 1.104 7.960 13.401 1.00 0.00 C ATOM 2078 O TYR A 138 -0.082 7.926 13.079 1.00 0.00 O ATOM 2079 CB TYR A 138 2.617 10.028 13.645 1.00 0.00 C ATOM 2080 CG TYR A 138 1.990 10.684 12.463 1.00 0.00 C ATOM 2081 CD1 TYR A 138 1.019 11.645 12.617 1.00 0.00 C ATOM 2082 CD2 TYR A 138 2.418 10.229 11.238 1.00 0.00 C ATOM 2083 CE1 TYR A 138 0.569 12.214 11.449 1.00 0.00 C ATOM 2084 CE2 TYR A 138 1.898 10.804 10.102 1.00 0.00 C ATOM 2085 CZ TYR A 138 0.989 11.832 10.197 1.00 0.00 C ATOM 2086 OH TYR A 138 0.451 12.365 9.006 1.00 0.00 O ATOM 0 H TYR A 138 3.374 8.598 15.374 1.00 0.00 H new ATOM 0 HA TYR A 138 0.783 9.569 14.612 1.00 0.00 H new ATOM 0 HB2 TYR A 138 2.897 10.786 14.377 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.534 9.525 13.339 1.00 0.00 H new ATOM 0 HD1 TYR A 138 0.637 11.932 13.586 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.148 9.436 11.169 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -0.158 13.009 11.519 1.00 0.00 H new ATOM 0 HE2 TYR A 138 2.205 10.447 9.130 1.00 0.00 H new ATOM 0 HH TYR A 138 0.894 11.955 8.234 1.00 0.00 H new ATOM 2096 N GLU A 139 1.857 6.916 13.009 1.00 0.00 N ATOM 2097 CA GLU A 139 1.387 5.830 12.206 1.00 0.00 C ATOM 2098 C GLU A 139 0.261 5.058 12.802 1.00 0.00 C ATOM 2099 O GLU A 139 -0.610 4.628 12.047 1.00 0.00 O ATOM 2100 CB GLU A 139 2.530 4.864 11.851 1.00 0.00 C ATOM 2101 CG GLU A 139 3.454 5.487 10.804 1.00 0.00 C ATOM 2102 CD GLU A 139 4.846 4.879 10.712 1.00 0.00 C ATOM 2103 OE1 GLU A 139 5.266 4.163 11.659 1.00 0.00 O ATOM 2104 OE2 GLU A 139 5.580 5.257 9.759 1.00 0.00 O ATOM 0 H GLU A 139 2.840 6.825 13.264 1.00 0.00 H new ATOM 0 HA GLU A 139 0.998 6.306 11.306 1.00 0.00 H new ATOM 0 HB2 GLU A 139 3.100 4.620 12.748 1.00 0.00 H new ATOM 0 HB3 GLU A 139 2.119 3.929 11.471 1.00 0.00 H new ATOM 0 HG2 GLU A 139 2.976 5.405 9.828 1.00 0.00 H new ATOM 0 HG3 GLU A 139 3.555 6.550 11.021 1.00 0.00 H new ATOM 2111 N GLU A 140 0.301 4.855 14.131 1.00 0.00 N ATOM 2112 CA GLU A 140 -0.748 4.176 14.826 1.00 0.00 C ATOM 2113 C GLU A 140 -2.017 4.953 14.910 1.00 0.00 C ATOM 2114 O GLU A 140 -3.158 4.495 14.909 1.00 0.00 O ATOM 2115 CB GLU A 140 -0.184 3.904 16.231 1.00 0.00 C ATOM 2116 CG GLU A 140 1.198 3.249 16.221 1.00 0.00 C ATOM 2117 CD GLU A 140 1.778 2.944 17.594 1.00 0.00 C ATOM 2118 OE1 GLU A 140 1.419 1.931 18.253 1.00 0.00 O ATOM 2119 OE2 GLU A 140 2.594 3.745 18.124 1.00 0.00 O ATOM 0 H GLU A 140 1.067 5.164 14.729 1.00 0.00 H new ATOM 0 HA GLU A 140 -1.024 3.268 14.290 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -0.127 4.845 16.779 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -0.877 3.261 16.773 1.00 0.00 H new ATOM 0 HG2 GLU A 140 1.138 2.320 15.654 1.00 0.00 H new ATOM 0 HG3 GLU A 140 1.889 3.903 15.689 1.00 0.00 H new ATOM 2126 N PHE A 141 -1.832 6.274 15.084 1.00 0.00 N ATOM 2127 CA PHE A 141 -2.830 7.297 15.034 1.00 0.00 C ATOM 2128 C PHE A 141 -3.595 7.447 13.764 1.00 0.00 C ATOM 2129 O PHE A 141 -4.823 7.497 13.716 1.00 0.00 O ATOM 2130 CB PHE A 141 -2.267 8.593 15.640 1.00 0.00 C ATOM 2131 CG PHE A 141 -3.352 9.613 15.680 1.00 0.00 C ATOM 2132 CD1 PHE A 141 -4.364 9.650 16.610 1.00 0.00 C ATOM 2133 CD2 PHE A 141 -3.365 10.470 14.604 1.00 0.00 C ATOM 2134 CE1 PHE A 141 -5.328 10.631 16.628 1.00 0.00 C ATOM 2135 CE2 PHE A 141 -4.389 11.386 14.552 1.00 0.00 C ATOM 2136 CZ PHE A 141 -5.271 11.537 15.595 1.00 0.00 C ATOM 0 H PHE A 141 -0.906 6.656 15.276 1.00 0.00 H new ATOM 0 HA PHE A 141 -3.651 6.957 15.665 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -1.887 8.406 16.644 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -1.429 8.956 15.044 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -4.404 8.874 17.360 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -2.607 10.425 13.836 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -6.079 10.686 17.402 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -4.503 12.001 13.671 1.00 0.00 H new ATOM 0 HZ PHE A 141 -5.936 12.388 15.604 1.00 0.00 H new ATOM 2146 N VAL A 142 -2.795 7.508 12.684 1.00 0.00 N ATOM 2147 CA VAL A 142 -3.245 7.451 11.328 1.00 0.00 C ATOM 2148 C VAL A 142 -3.941 6.177 10.995 1.00 0.00 C ATOM 2149 O VAL A 142 -5.091 6.205 10.559 1.00 0.00 O ATOM 2150 CB VAL A 142 -2.103 7.695 10.387 1.00 0.00 C ATOM 2151 CG1 VAL A 142 -2.611 7.611 8.938 1.00 0.00 C ATOM 2152 CG2 VAL A 142 -1.576 9.129 10.564 1.00 0.00 C ATOM 0 H VAL A 142 -1.782 7.602 12.761 1.00 0.00 H new ATOM 0 HA VAL A 142 -3.984 8.243 11.210 1.00 0.00 H new ATOM 0 HB VAL A 142 -1.329 6.956 10.593 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -1.783 7.788 8.251 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -3.028 6.621 8.756 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -3.382 8.365 8.779 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -0.747 9.299 9.877 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -2.375 9.839 10.351 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -1.232 9.266 11.589 1.00 0.00 H new ATOM 2162 N GLN A 143 -3.388 4.989 11.298 1.00 0.00 N ATOM 2163 CA GLN A 143 -4.166 3.794 11.184 1.00 0.00 C ATOM 2164 C GLN A 143 -5.419 3.627 11.973 1.00 0.00 C ATOM 2165 O GLN A 143 -6.346 2.863 11.710 1.00 0.00 O ATOM 2166 CB GLN A 143 -3.241 2.571 11.302 1.00 0.00 C ATOM 2167 CG GLN A 143 -2.318 2.459 10.088 1.00 0.00 C ATOM 2168 CD GLN A 143 -1.149 1.559 10.461 1.00 0.00 C ATOM 2169 OE1 GLN A 143 -0.014 2.006 10.622 1.00 0.00 O ATOM 2170 NE2 GLN A 143 -1.458 0.262 10.731 1.00 0.00 N ATOM 0 H GLN A 143 -2.427 4.856 11.614 1.00 0.00 H new ATOM 0 HA GLN A 143 -4.606 3.898 10.192 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -2.644 2.649 12.211 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -3.841 1.665 11.392 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -2.859 2.046 9.236 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -1.959 3.445 9.791 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -2.409 -0.076 10.586 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -0.738 -0.372 11.078 1.00 0.00 H new ATOM 2179 N MET A 144 -5.530 4.432 13.045 1.00 0.00 N ATOM 2180 CA MET A 144 -6.701 4.509 13.861 1.00 0.00 C ATOM 2181 C MET A 144 -7.732 5.354 13.194 1.00 0.00 C ATOM 2182 O MET A 144 -8.936 5.102 13.194 1.00 0.00 O ATOM 2183 CB MET A 144 -6.490 4.923 15.328 1.00 0.00 C ATOM 2184 CG MET A 144 -7.628 5.553 16.133 1.00 0.00 C ATOM 2185 SD MET A 144 -7.353 5.628 17.928 1.00 0.00 S ATOM 2186 CE MET A 144 -5.995 6.828 18.045 1.00 0.00 C ATOM 0 H MET A 144 -4.779 5.050 13.354 1.00 0.00 H new ATOM 0 HA MET A 144 -7.049 3.480 13.947 1.00 0.00 H new ATOM 0 HB2 MET A 144 -6.169 4.033 15.869 1.00 0.00 H new ATOM 0 HB3 MET A 144 -5.657 5.626 15.346 1.00 0.00 H new ATOM 0 HG2 MET A 144 -7.796 6.565 15.764 1.00 0.00 H new ATOM 0 HG3 MET A 144 -8.541 4.989 15.944 1.00 0.00 H new ATOM 0 HE1 MET A 144 -5.700 6.944 19.088 1.00 0.00 H new ATOM 0 HE2 MET A 144 -5.144 6.472 17.465 1.00 0.00 H new ATOM 0 HE3 MET A 144 -6.325 7.790 17.652 1.00 0.00 H new ATOM 2196 N MET A 145 -7.330 6.505 12.627 1.00 0.00 N ATOM 2197 CA MET A 145 -8.166 7.414 11.906 1.00 0.00 C ATOM 2198 C MET A 145 -8.763 6.933 10.629 1.00 0.00 C ATOM 2199 O MET A 145 -9.799 7.414 10.172 1.00 0.00 O ATOM 2200 CB MET A 145 -7.573 8.797 11.587 1.00 0.00 C ATOM 2201 CG MET A 145 -7.538 9.637 12.865 1.00 0.00 C ATOM 2202 SD MET A 145 -7.060 11.363 12.554 1.00 0.00 S ATOM 2203 CE MET A 145 -8.672 12.001 13.096 1.00 0.00 C ATOM 0 H MET A 145 -6.361 6.820 12.675 1.00 0.00 H new ATOM 0 HA MET A 145 -8.941 7.495 12.669 1.00 0.00 H new ATOM 0 HB2 MET A 145 -6.567 8.690 11.181 1.00 0.00 H new ATOM 0 HB3 MET A 145 -8.173 9.296 10.826 1.00 0.00 H new ATOM 0 HG2 MET A 145 -8.520 9.615 13.337 1.00 0.00 H new ATOM 0 HG3 MET A 145 -6.836 9.191 13.570 1.00 0.00 H new ATOM 0 HE1 MET A 145 -8.680 13.088 13.013 1.00 0.00 H new ATOM 0 HE2 MET A 145 -9.459 11.584 12.467 1.00 0.00 H new ATOM 0 HE3 MET A 145 -8.847 11.715 14.133 1.00 0.00 H new