USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 429 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 THR OG1 : rot -34:sc= 0.0779 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0602 K(o=-0.06,f=-5.4!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0108 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.749 USER MOD Single : A 24 ASN : amide:sc= 0.935 K(o=0.94,f=-6.9!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -164:sc= -0.053 USER MOD Single : A 41 SER OG : rot 23:sc= -0.755 USER MOD Single : A 43 TYR OH : rot -123:sc= 0.32 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.393 X(o=-0.39,f=-0.16) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -66:sc= 1.13 USER MOD Single : A 67 SER OG : rot 75:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 11.335 6.473 12.914 1.00 0.00 N ATOM 21 CA THR A 2 11.309 7.277 11.697 1.00 0.00 C ATOM 22 C THR A 2 11.266 6.402 10.450 1.00 0.00 C ATOM 23 O THR A 2 10.565 6.713 9.488 1.00 0.00 O ATOM 24 CB THR A 2 12.517 8.235 11.621 1.00 0.00 C ATOM 25 OG1 THR A 2 13.747 7.506 11.727 1.00 0.00 O ATOM 26 CG2 THR A 2 12.447 9.275 12.727 1.00 0.00 C ATOM 0 HA THR A 2 10.397 7.873 11.736 1.00 0.00 H new ATOM 0 HB THR A 2 12.484 8.740 10.655 1.00 0.00 H new ATOM 0 HG1 THR A 2 13.623 6.740 12.326 1.00 0.00 H new ATOM 0 HG21 THR A 2 13.307 9.940 12.656 1.00 0.00 H new ATOM 0 HG22 THR A 2 11.530 9.855 12.623 1.00 0.00 H new ATOM 0 HG23 THR A 2 12.453 8.776 13.696 1.00 0.00 H new ATOM 34 N HIS A 3 12.009 5.307 10.467 1.00 0.00 N ATOM 35 CA HIS A 3 11.958 4.358 9.370 1.00 0.00 C ATOM 36 C HIS A 3 11.319 3.060 9.846 1.00 0.00 C ATOM 37 O HIS A 3 11.557 2.608 10.969 1.00 0.00 O ATOM 38 CB HIS A 3 13.354 4.115 8.763 1.00 0.00 C ATOM 39 CG HIS A 3 14.174 3.038 9.416 1.00 0.00 C ATOM 40 ND1 HIS A 3 14.563 1.898 8.751 1.00 0.00 N ATOM 41 CD2 HIS A 3 14.695 2.941 10.661 1.00 0.00 C ATOM 42 CE1 HIS A 3 15.283 1.144 9.556 1.00 0.00 C ATOM 43 NE2 HIS A 3 15.380 1.754 10.720 1.00 0.00 N ATOM 0 H HIS A 3 12.648 5.056 11.221 1.00 0.00 H new ATOM 0 HA HIS A 3 11.343 4.778 8.574 1.00 0.00 H new ATOM 0 HB2 HIS A 3 13.232 3.864 7.709 1.00 0.00 H new ATOM 0 HB3 HIS A 3 13.915 5.048 8.805 1.00 0.00 H new ATOM 0 HD2 HIS A 3 14.591 3.662 11.458 1.00 0.00 H new ATOM 0 HE1 HIS A 3 15.719 0.189 9.305 1.00 0.00 H new ATOM 0 HE2 HIS A 3 15.883 1.401 11.534 1.00 0.00 H new ATOM 52 N HIS A 4 10.493 2.475 9.003 1.00 0.00 N ATOM 53 CA HIS A 4 9.786 1.258 9.358 1.00 0.00 C ATOM 54 C HIS A 4 9.836 0.261 8.215 1.00 0.00 C ATOM 55 O HIS A 4 9.418 0.569 7.101 1.00 0.00 O ATOM 56 CB HIS A 4 8.330 1.568 9.714 1.00 0.00 C ATOM 57 CG HIS A 4 7.539 0.374 10.127 1.00 0.00 C ATOM 58 ND1 HIS A 4 7.885 -0.442 11.179 1.00 0.00 N ATOM 59 CD2 HIS A 4 6.413 -0.141 9.608 1.00 0.00 C ATOM 60 CE1 HIS A 4 6.998 -1.410 11.287 1.00 0.00 C ATOM 61 NE2 HIS A 4 6.092 -1.252 10.343 1.00 0.00 N ATOM 0 H HIS A 4 10.293 2.822 8.065 1.00 0.00 H new ATOM 0 HA HIS A 4 10.276 0.821 10.228 1.00 0.00 H new ATOM 0 HB2 HIS A 4 8.312 2.300 10.522 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.847 2.031 8.853 1.00 0.00 H new ATOM 0 HD2 HIS A 4 5.861 0.249 8.765 1.00 0.00 H new ATOM 0 HE1 HIS A 4 7.011 -2.199 12.024 1.00 0.00 H new ATOM 0 HE2 HIS A 4 5.286 -1.856 10.186 1.00 0.00 H new ATOM 70 N THR A 5 10.343 -0.928 8.495 1.00 0.00 N ATOM 71 CA THR A 5 10.389 -1.982 7.500 1.00 0.00 C ATOM 72 C THR A 5 9.740 -3.251 8.042 1.00 0.00 C ATOM 73 O THR A 5 9.888 -3.584 9.222 1.00 0.00 O ATOM 74 CB THR A 5 11.835 -2.300 7.085 1.00 0.00 C ATOM 75 OG1 THR A 5 12.601 -1.089 6.997 1.00 0.00 O ATOM 76 CG2 THR A 5 11.873 -3.018 5.744 1.00 0.00 C ATOM 0 H THR A 5 10.728 -1.186 9.404 1.00 0.00 H new ATOM 0 HA THR A 5 9.842 -1.628 6.626 1.00 0.00 H new ATOM 0 HB THR A 5 12.266 -2.953 7.844 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.521 -1.302 6.734 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.907 -3.231 5.474 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.317 -3.953 5.816 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.422 -2.385 4.980 1.00 0.00 H new ATOM 84 N GLU A 6 9.010 -3.937 7.183 1.00 0.00 N ATOM 85 CA GLU A 6 8.385 -5.208 7.525 1.00 0.00 C ATOM 86 C GLU A 6 8.055 -5.967 6.249 1.00 0.00 C ATOM 87 O GLU A 6 8.022 -5.378 5.168 1.00 0.00 O ATOM 88 CB GLU A 6 7.119 -5.002 8.366 1.00 0.00 C ATOM 89 CG GLU A 6 6.025 -4.214 7.668 1.00 0.00 C ATOM 90 CD GLU A 6 4.779 -4.086 8.522 1.00 0.00 C ATOM 91 OE1 GLU A 6 4.707 -3.141 9.336 1.00 0.00 O ATOM 92 OE2 GLU A 6 3.877 -4.938 8.401 1.00 0.00 O ATOM 0 H GLU A 6 8.831 -3.631 6.226 1.00 0.00 H new ATOM 0 HA GLU A 6 9.086 -5.788 8.125 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.723 -5.977 8.650 1.00 0.00 H new ATOM 0 HB3 GLU A 6 7.389 -4.487 9.288 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.397 -3.220 7.420 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.771 -4.703 6.728 1.00 0.00 H new ATOM 99 N VAL A 7 7.831 -7.266 6.367 1.00 0.00 N ATOM 100 CA VAL A 7 7.511 -8.079 5.205 1.00 0.00 C ATOM 101 C VAL A 7 6.133 -8.718 5.360 1.00 0.00 C ATOM 102 O VAL A 7 5.852 -9.383 6.359 1.00 0.00 O ATOM 103 CB VAL A 7 8.565 -9.182 4.963 1.00 0.00 C ATOM 104 CG1 VAL A 7 8.277 -9.938 3.671 1.00 0.00 C ATOM 105 CG2 VAL A 7 9.966 -8.589 4.934 1.00 0.00 C ATOM 0 H VAL A 7 7.864 -7.777 7.249 1.00 0.00 H new ATOM 0 HA VAL A 7 7.511 -7.414 4.342 1.00 0.00 H new ATOM 0 HB VAL A 7 8.507 -9.890 5.790 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.034 -10.709 3.524 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.293 -10.403 3.733 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.298 -9.244 2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.693 -9.382 4.762 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.034 -7.855 4.131 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.176 -8.104 5.888 1.00 0.00 H new ATOM 115 N PHE A 8 5.283 -8.504 4.367 1.00 0.00 N ATOM 116 CA PHE A 8 3.931 -9.035 4.373 1.00 0.00 C ATOM 117 C PHE A 8 3.718 -9.932 3.160 1.00 0.00 C ATOM 118 O PHE A 8 3.714 -9.449 2.034 1.00 0.00 O ATOM 119 CB PHE A 8 2.918 -7.888 4.340 1.00 0.00 C ATOM 120 CG PHE A 8 1.519 -8.296 4.695 1.00 0.00 C ATOM 121 CD1 PHE A 8 1.159 -8.497 6.017 1.00 0.00 C ATOM 122 CD2 PHE A 8 0.556 -8.457 3.712 1.00 0.00 C ATOM 123 CE1 PHE A 8 -0.132 -8.853 6.351 1.00 0.00 C ATOM 124 CE2 PHE A 8 -0.736 -8.817 4.040 1.00 0.00 C ATOM 125 CZ PHE A 8 -1.081 -9.011 5.362 1.00 0.00 C ATOM 0 H PHE A 8 5.512 -7.958 3.536 1.00 0.00 H new ATOM 0 HA PHE A 8 3.788 -9.618 5.283 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.244 -7.110 5.030 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.915 -7.449 3.342 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.897 -8.374 6.796 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.819 -8.299 2.677 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.399 -9.008 7.386 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.475 -8.947 3.263 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.092 -9.286 5.622 1.00 0.00 H new ATOM 135 N GLU A 9 3.582 -11.233 3.398 1.00 0.00 N ATOM 136 CA GLU A 9 3.250 -12.204 2.346 1.00 0.00 C ATOM 137 C GLU A 9 4.214 -12.136 1.156 1.00 0.00 C ATOM 138 O GLU A 9 3.837 -12.430 0.018 1.00 0.00 O ATOM 139 CB GLU A 9 1.812 -11.982 1.870 1.00 0.00 C ATOM 140 CG GLU A 9 0.780 -12.077 2.984 1.00 0.00 C ATOM 141 CD GLU A 9 0.776 -13.429 3.667 1.00 0.00 C ATOM 142 OE1 GLU A 9 1.618 -13.655 4.563 1.00 0.00 O ATOM 143 OE2 GLU A 9 -0.066 -14.275 3.313 1.00 0.00 O ATOM 0 H GLU A 9 3.697 -11.649 4.322 1.00 0.00 H new ATOM 0 HA GLU A 9 3.349 -13.199 2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.740 -11.000 1.403 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.574 -12.718 1.102 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.979 -11.302 3.724 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.210 -11.880 2.573 1.00 0.00 H new ATOM 150 N GLY A 10 5.459 -11.770 1.424 1.00 0.00 N ATOM 151 CA GLY A 10 6.454 -11.706 0.371 1.00 0.00 C ATOM 152 C GLY A 10 6.693 -10.296 -0.141 1.00 0.00 C ATOM 153 O GLY A 10 7.494 -10.092 -1.054 1.00 0.00 O ATOM 0 H GLY A 10 5.799 -11.516 2.352 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.394 -12.115 0.742 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.137 -12.338 -0.459 1.00 0.00 H new ATOM 157 N GLY A 11 5.988 -9.324 0.425 1.00 0.00 N ATOM 158 CA GLY A 11 6.196 -7.940 0.046 1.00 0.00 C ATOM 159 C GLY A 11 6.828 -7.136 1.164 1.00 0.00 C ATOM 160 O GLY A 11 6.431 -7.257 2.319 1.00 0.00 O ATOM 0 H GLY A 11 5.276 -9.470 1.140 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.834 -7.897 -0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.241 -7.492 -0.229 1.00 0.00 H new ATOM 164 N THR A 12 7.811 -6.319 0.828 1.00 0.00 N ATOM 165 CA THR A 12 8.514 -5.528 1.825 1.00 0.00 C ATOM 166 C THR A 12 7.978 -4.101 1.866 1.00 0.00 C ATOM 167 O THR A 12 7.879 -3.438 0.833 1.00 0.00 O ATOM 168 CB THR A 12 10.029 -5.498 1.543 1.00 0.00 C ATOM 169 OG1 THR A 12 10.523 -6.838 1.409 1.00 0.00 O ATOM 170 CG2 THR A 12 10.778 -4.786 2.662 1.00 0.00 C ATOM 0 H THR A 12 8.141 -6.185 -0.128 1.00 0.00 H new ATOM 0 HA THR A 12 8.344 -6.001 2.792 1.00 0.00 H new ATOM 0 HB THR A 12 10.194 -4.951 0.615 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.486 -6.815 1.228 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.845 -4.779 2.439 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.418 -3.761 2.746 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.608 -5.308 3.603 1.00 0.00 H new ATOM 178 N ILE A 13 7.630 -3.642 3.058 1.00 0.00 N ATOM 179 CA ILE A 13 7.118 -2.292 3.245 1.00 0.00 C ATOM 180 C ILE A 13 8.234 -1.365 3.725 1.00 0.00 C ATOM 181 O ILE A 13 8.837 -1.594 4.776 1.00 0.00 O ATOM 182 CB ILE A 13 5.954 -2.271 4.264 1.00 0.00 C ATOM 183 CG1 ILE A 13 4.812 -3.169 3.780 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.458 -0.846 4.488 1.00 0.00 C ATOM 185 CD1 ILE A 13 3.661 -3.269 4.758 1.00 0.00 C ATOM 0 H ILE A 13 7.693 -4.189 3.917 1.00 0.00 H new ATOM 0 HA ILE A 13 6.743 -1.942 2.283 1.00 0.00 H new ATOM 0 HB ILE A 13 6.320 -2.655 5.216 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.438 -2.786 2.830 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.203 -4.168 3.589 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.640 -0.855 5.208 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.273 -0.233 4.873 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.106 -0.431 3.544 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.890 -3.921 4.347 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.020 -3.681 5.701 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.243 -2.277 4.931 1.00 0.00 H new ATOM 197 N ASP A 14 8.503 -0.331 2.942 1.00 0.00 N ATOM 198 CA ASP A 14 9.520 0.655 3.270 1.00 0.00 C ATOM 199 C ASP A 14 8.862 1.973 3.645 1.00 0.00 C ATOM 200 O ASP A 14 8.304 2.659 2.781 1.00 0.00 O ATOM 201 CB ASP A 14 10.451 0.909 2.078 1.00 0.00 C ATOM 202 CG ASP A 14 11.115 -0.338 1.533 1.00 0.00 C ATOM 203 OD1 ASP A 14 12.096 -0.812 2.143 1.00 0.00 O ATOM 204 OD2 ASP A 14 10.689 -0.825 0.462 1.00 0.00 O ATOM 0 H ASP A 14 8.022 -0.152 2.061 1.00 0.00 H new ATOM 0 HA ASP A 14 10.100 0.263 4.105 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.880 1.382 1.279 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.224 1.617 2.379 1.00 0.00 H new ATOM 209 N ILE A 15 8.904 2.320 4.922 1.00 0.00 N ATOM 210 CA ILE A 15 8.375 3.598 5.377 1.00 0.00 C ATOM 211 C ILE A 15 9.504 4.488 5.884 1.00 0.00 C ATOM 212 O ILE A 15 10.241 4.107 6.794 1.00 0.00 O ATOM 213 CB ILE A 15 7.327 3.423 6.500 1.00 0.00 C ATOM 214 CG1 ILE A 15 6.184 2.515 6.035 1.00 0.00 C ATOM 215 CG2 ILE A 15 6.787 4.779 6.941 1.00 0.00 C ATOM 216 CD1 ILE A 15 5.103 2.309 7.076 1.00 0.00 C ATOM 0 H ILE A 15 9.298 1.737 5.661 1.00 0.00 H new ATOM 0 HA ILE A 15 7.887 4.065 4.521 1.00 0.00 H new ATOM 0 HB ILE A 15 7.814 2.951 7.353 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.735 2.942 5.138 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.594 1.545 5.754 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.050 4.638 7.732 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.607 5.393 7.314 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.317 5.277 6.093 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.329 1.655 6.673 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.537 1.852 7.965 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.664 3.271 7.340 1.00 0.00 H new ATOM 228 N GLU A 16 9.641 5.665 5.289 1.00 0.00 N ATOM 229 CA GLU A 16 10.664 6.612 5.706 1.00 0.00 C ATOM 230 C GLU A 16 10.057 7.957 6.051 1.00 0.00 C ATOM 231 O GLU A 16 9.359 8.565 5.234 1.00 0.00 O ATOM 232 CB GLU A 16 11.701 6.820 4.612 1.00 0.00 C ATOM 233 CG GLU A 16 13.102 6.359 4.984 1.00 0.00 C ATOM 234 CD GLU A 16 13.714 7.184 6.100 1.00 0.00 C ATOM 235 OE1 GLU A 16 13.827 8.419 5.943 1.00 0.00 O ATOM 236 OE2 GLU A 16 14.108 6.603 7.125 1.00 0.00 O ATOM 0 H GLU A 16 9.057 5.986 4.517 1.00 0.00 H new ATOM 0 HA GLU A 16 11.143 6.188 6.589 1.00 0.00 H new ATOM 0 HB2 GLU A 16 11.381 6.286 3.717 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.735 7.879 4.356 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.067 5.313 5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.743 6.413 4.104 1.00 0.00 H new ATOM 243 N ASP A 17 10.320 8.396 7.268 1.00 0.00 N ATOM 244 CA ASP A 17 9.978 9.738 7.718 1.00 0.00 C ATOM 245 C ASP A 17 8.482 10.022 7.563 1.00 0.00 C ATOM 246 O ASP A 17 8.088 11.138 7.224 1.00 0.00 O ATOM 247 CB ASP A 17 10.800 10.783 6.954 1.00 0.00 C ATOM 248 CG ASP A 17 10.984 12.064 7.746 1.00 0.00 C ATOM 249 OD1 ASP A 17 10.102 12.942 7.694 1.00 0.00 O ATOM 250 OD2 ASP A 17 12.023 12.197 8.430 1.00 0.00 O ATOM 0 H ASP A 17 10.781 7.829 7.980 1.00 0.00 H new ATOM 0 HA ASP A 17 10.219 9.802 8.779 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.777 10.366 6.710 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.306 11.011 6.009 1.00 0.00 H new ATOM 255 N ASP A 18 7.662 8.989 7.787 1.00 0.00 N ATOM 256 CA ASP A 18 6.194 9.113 7.818 1.00 0.00 C ATOM 257 C ASP A 18 5.579 9.278 6.428 1.00 0.00 C ATOM 258 O ASP A 18 4.456 8.833 6.187 1.00 0.00 O ATOM 259 CB ASP A 18 5.747 10.286 8.700 1.00 0.00 C ATOM 260 CG ASP A 18 6.147 10.128 10.151 1.00 0.00 C ATOM 261 OD1 ASP A 18 5.444 9.411 10.888 1.00 0.00 O ATOM 262 OD2 ASP A 18 7.151 10.745 10.570 1.00 0.00 O ATOM 0 H ASP A 18 7.995 8.039 7.953 1.00 0.00 H new ATOM 0 HA ASP A 18 5.834 8.175 8.241 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.176 11.209 8.310 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.663 10.387 8.638 1.00 0.00 H new ATOM 267 N THR A 19 6.297 9.925 5.525 1.00 0.00 N ATOM 268 CA THR A 19 5.751 10.272 4.223 1.00 0.00 C ATOM 269 C THR A 19 6.110 9.249 3.147 1.00 0.00 C ATOM 270 O THR A 19 5.260 8.869 2.339 1.00 0.00 O ATOM 271 CB THR A 19 6.238 11.666 3.793 1.00 0.00 C ATOM 272 OG1 THR A 19 7.654 11.770 3.994 1.00 0.00 O ATOM 273 CG2 THR A 19 5.526 12.750 4.584 1.00 0.00 C ATOM 0 H THR A 19 7.262 10.221 5.670 1.00 0.00 H new ATOM 0 HA THR A 19 4.666 10.274 4.327 1.00 0.00 H new ATOM 0 HB THR A 19 6.011 11.801 2.736 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.959 12.659 3.717 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.885 13.728 4.265 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.452 12.682 4.409 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.729 12.618 5.647 1.00 0.00 H new ATOM 281 N SER A 20 7.355 8.802 3.142 1.00 0.00 N ATOM 282 CA SER A 20 7.825 7.887 2.113 1.00 0.00 C ATOM 283 C SER A 20 7.210 6.505 2.295 1.00 0.00 C ATOM 284 O SER A 20 7.429 5.843 3.314 1.00 0.00 O ATOM 285 CB SER A 20 9.352 7.795 2.142 1.00 0.00 C ATOM 286 OG SER A 20 9.842 6.980 1.089 1.00 0.00 O ATOM 0 H SER A 20 8.057 9.056 3.837 1.00 0.00 H new ATOM 0 HA SER A 20 7.514 8.275 1.143 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.780 8.794 2.060 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.675 7.388 3.100 1.00 0.00 H new ATOM 0 HG SER A 20 10.820 6.942 1.133 1.00 0.00 H new ATOM 292 N LEU A 21 6.426 6.085 1.310 1.00 0.00 N ATOM 293 CA LEU A 21 5.808 4.769 1.327 1.00 0.00 C ATOM 294 C LEU A 21 6.225 4.001 0.080 1.00 0.00 C ATOM 295 O LEU A 21 5.897 4.390 -1.043 1.00 0.00 O ATOM 296 CB LEU A 21 4.275 4.893 1.378 1.00 0.00 C ATOM 297 CG LEU A 21 3.514 3.717 2.018 1.00 0.00 C ATOM 298 CD1 LEU A 21 3.859 2.388 1.360 1.00 0.00 C ATOM 299 CD2 LEU A 21 3.784 3.656 3.513 1.00 0.00 C ATOM 0 H LEU A 21 6.203 6.642 0.485 1.00 0.00 H new ATOM 0 HA LEU A 21 6.139 4.232 2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.024 5.801 1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.909 5.023 0.360 1.00 0.00 H new ATOM 0 HG LEU A 21 2.450 3.894 1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.300 1.587 1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.597 2.427 0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.927 2.198 1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.238 2.819 3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.852 3.521 3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.456 4.585 3.980 1.00 0.00 H new ATOM 311 N THR A 22 6.939 2.909 0.286 1.00 0.00 N ATOM 312 CA THR A 22 7.373 2.061 -0.809 1.00 0.00 C ATOM 313 C THR A 22 7.144 0.594 -0.468 1.00 0.00 C ATOM 314 O THR A 22 7.306 0.189 0.676 1.00 0.00 O ATOM 315 CB THR A 22 8.865 2.288 -1.134 1.00 0.00 C ATOM 316 OG1 THR A 22 9.462 3.123 -0.129 1.00 0.00 O ATOM 317 CG2 THR A 22 9.034 2.930 -2.504 1.00 0.00 C ATOM 0 H THR A 22 7.232 2.587 1.208 1.00 0.00 H new ATOM 0 HA THR A 22 6.782 2.326 -1.686 1.00 0.00 H new ATOM 0 HB THR A 22 9.363 1.319 -1.146 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.409 3.262 -0.340 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.094 3.079 -2.708 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.606 2.279 -3.266 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.523 3.893 -2.520 1.00 0.00 H new ATOM 325 N ILE A 23 6.726 -0.187 -1.446 1.00 0.00 N ATOM 326 CA ILE A 23 6.591 -1.623 -1.257 1.00 0.00 C ATOM 327 C ILE A 23 7.387 -2.353 -2.324 1.00 0.00 C ATOM 328 O ILE A 23 7.076 -2.260 -3.511 1.00 0.00 O ATOM 329 CB ILE A 23 5.111 -2.079 -1.277 1.00 0.00 C ATOM 330 CG1 ILE A 23 4.353 -1.467 -0.092 1.00 0.00 C ATOM 331 CG2 ILE A 23 5.014 -3.599 -1.245 1.00 0.00 C ATOM 332 CD1 ILE A 23 2.876 -1.799 -0.064 1.00 0.00 C ATOM 0 H ILE A 23 6.474 0.145 -2.377 1.00 0.00 H new ATOM 0 HA ILE A 23 6.986 -1.870 -0.271 1.00 0.00 H new ATOM 0 HB ILE A 23 4.654 -1.729 -2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.810 -1.813 0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.470 -0.384 -0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.966 -3.897 -1.260 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.522 -4.014 -2.116 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.485 -3.975 -0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.414 -1.329 0.804 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.402 -1.428 -0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.747 -2.880 -0.003 1.00 0.00 H new ATOM 344 N ASN A 24 8.443 -3.042 -1.890 1.00 0.00 N ATOM 345 CA ASN A 24 9.359 -3.744 -2.794 1.00 0.00 C ATOM 346 C ASN A 24 10.062 -2.765 -3.726 1.00 0.00 C ATOM 347 O ASN A 24 10.546 -3.146 -4.789 1.00 0.00 O ATOM 348 CB ASN A 24 8.621 -4.802 -3.623 1.00 0.00 C ATOM 349 CG ASN A 24 8.070 -5.937 -2.787 1.00 0.00 C ATOM 350 OD1 ASN A 24 8.637 -6.307 -1.760 1.00 0.00 O ATOM 351 ND2 ASN A 24 6.955 -6.497 -3.227 1.00 0.00 N ATOM 0 H ASN A 24 8.688 -3.130 -0.904 1.00 0.00 H new ATOM 0 HA ASN A 24 10.104 -4.243 -2.175 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.802 -4.326 -4.162 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.302 -5.208 -4.371 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.532 -7.267 -2.709 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.518 -6.158 -4.084 1.00 0.00 H new ATOM 358 N GLY A 25 10.128 -1.504 -3.317 1.00 0.00 N ATOM 359 CA GLY A 25 10.752 -0.492 -4.146 1.00 0.00 C ATOM 360 C GLY A 25 9.770 0.170 -5.096 1.00 0.00 C ATOM 361 O GLY A 25 10.158 0.970 -5.949 1.00 0.00 O ATOM 0 H GLY A 25 9.761 -1.165 -2.428 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.203 0.268 -3.508 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.559 -0.946 -4.721 1.00 0.00 H new ATOM 365 N LYS A 26 8.500 -0.177 -4.956 1.00 0.00 N ATOM 366 CA LYS A 26 7.446 0.419 -5.762 1.00 0.00 C ATOM 367 C LYS A 26 6.706 1.484 -4.956 1.00 0.00 C ATOM 368 O LYS A 26 6.260 1.226 -3.835 1.00 0.00 O ATOM 369 CB LYS A 26 6.473 -0.669 -6.238 1.00 0.00 C ATOM 370 CG LYS A 26 5.430 -0.184 -7.232 1.00 0.00 C ATOM 371 CD LYS A 26 6.074 0.308 -8.520 1.00 0.00 C ATOM 372 CE LYS A 26 5.031 0.660 -9.567 1.00 0.00 C ATOM 373 NZ LYS A 26 5.648 1.186 -10.814 1.00 0.00 N ATOM 0 H LYS A 26 8.173 -0.874 -4.287 1.00 0.00 H new ATOM 0 HA LYS A 26 7.892 0.895 -6.635 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.045 -1.477 -6.694 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.964 -1.089 -5.371 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.736 -0.994 -7.457 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.846 0.621 -6.785 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.689 1.183 -8.309 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.739 -0.461 -8.912 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.439 -0.225 -9.801 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.346 1.404 -9.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.902 1.414 -11.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.192 2.045 -10.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.283 0.467 -11.217 1.00 0.00 H new ATOM 387 N GLU A 27 6.604 2.680 -5.524 1.00 0.00 N ATOM 388 CA GLU A 27 5.936 3.795 -4.865 1.00 0.00 C ATOM 389 C GLU A 27 4.446 3.518 -4.700 1.00 0.00 C ATOM 390 O GLU A 27 3.734 3.266 -5.677 1.00 0.00 O ATOM 391 CB GLU A 27 6.128 5.086 -5.664 1.00 0.00 C ATOM 392 CG GLU A 27 5.433 6.286 -5.039 1.00 0.00 C ATOM 393 CD GLU A 27 5.429 7.500 -5.941 1.00 0.00 C ATOM 394 OE1 GLU A 27 4.578 7.564 -6.849 1.00 0.00 O ATOM 395 OE2 GLU A 27 6.264 8.404 -5.738 1.00 0.00 O ATOM 0 H GLU A 27 6.979 2.903 -6.446 1.00 0.00 H new ATOM 0 HA GLU A 27 6.384 3.913 -3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.194 5.296 -5.752 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.748 4.940 -6.675 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.405 6.018 -4.795 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.928 6.538 -4.101 1.00 0.00 H new ATOM 402 N ILE A 28 3.975 3.568 -3.464 1.00 0.00 N ATOM 403 CA ILE A 28 2.565 3.378 -3.185 1.00 0.00 C ATOM 404 C ILE A 28 1.877 4.725 -3.036 1.00 0.00 C ATOM 405 O ILE A 28 2.087 5.439 -2.055 1.00 0.00 O ATOM 406 CB ILE A 28 2.336 2.529 -1.918 1.00 0.00 C ATOM 407 CG1 ILE A 28 3.049 1.181 -2.053 1.00 0.00 C ATOM 408 CG2 ILE A 28 0.849 2.324 -1.671 1.00 0.00 C ATOM 409 CD1 ILE A 28 2.565 0.341 -3.219 1.00 0.00 C ATOM 0 H ILE A 28 4.551 3.739 -2.639 1.00 0.00 H new ATOM 0 HA ILE A 28 2.135 2.837 -4.028 1.00 0.00 H new ATOM 0 HB ILE A 28 2.752 3.061 -1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.119 1.357 -2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.914 0.616 -1.131 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.709 1.723 -0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.365 3.292 -1.539 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.406 1.810 -2.524 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.119 -0.597 -3.246 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.502 0.132 -3.100 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.726 0.884 -4.150 1.00 0.00 H new ATOM 421 N SER A 29 1.080 5.079 -4.032 1.00 0.00 N ATOM 422 CA SER A 29 0.371 6.344 -4.035 1.00 0.00 C ATOM 423 C SER A 29 -0.797 6.329 -3.053 1.00 0.00 C ATOM 424 O SER A 29 -1.856 5.767 -3.343 1.00 0.00 O ATOM 425 CB SER A 29 -0.138 6.646 -5.442 1.00 0.00 C ATOM 426 OG SER A 29 0.903 6.525 -6.399 1.00 0.00 O ATOM 0 H SER A 29 0.909 4.501 -4.854 1.00 0.00 H new ATOM 0 HA SER A 29 1.065 7.123 -3.721 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.949 5.962 -5.693 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.550 7.654 -5.474 1.00 0.00 H new ATOM 0 HG SER A 29 0.551 6.722 -7.292 1.00 0.00 H new ATOM 432 N TYR A 30 -0.592 6.933 -1.888 1.00 0.00 N ATOM 433 CA TYR A 30 -1.657 7.091 -0.906 1.00 0.00 C ATOM 434 C TYR A 30 -2.479 8.323 -1.228 1.00 0.00 C ATOM 435 O TYR A 30 -2.114 9.128 -2.089 1.00 0.00 O ATOM 436 CB TYR A 30 -1.102 7.249 0.511 1.00 0.00 C ATOM 437 CG TYR A 30 -0.835 5.958 1.257 1.00 0.00 C ATOM 438 CD1 TYR A 30 -0.033 4.958 0.725 1.00 0.00 C ATOM 439 CD2 TYR A 30 -1.391 5.751 2.515 1.00 0.00 C ATOM 440 CE1 TYR A 30 0.207 3.789 1.428 1.00 0.00 C ATOM 441 CE2 TYR A 30 -1.155 4.589 3.221 1.00 0.00 C ATOM 442 CZ TYR A 30 -0.358 3.610 2.674 1.00 0.00 C ATOM 443 OH TYR A 30 -0.118 2.455 3.380 1.00 0.00 O ATOM 0 H TYR A 30 0.306 7.322 -1.600 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.271 6.191 -0.950 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.172 7.815 0.457 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.805 7.845 1.093 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.410 5.093 -0.251 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.020 6.515 2.948 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.834 3.020 1.002 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.594 4.449 4.198 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.774 2.371 4.103 1.00 0.00 H new ATOM 618 N SER A 41 -6.242 5.713 -2.201 1.00 0.00 N ATOM 619 CA SER A 41 -5.145 5.062 -2.877 1.00 0.00 C ATOM 620 C SER A 41 -5.662 4.164 -4.002 1.00 0.00 C ATOM 621 O SER A 41 -6.459 3.252 -3.766 1.00 0.00 O ATOM 622 CB SER A 41 -4.365 4.253 -1.848 1.00 0.00 C ATOM 623 OG SER A 41 -4.215 4.986 -0.642 1.00 0.00 O ATOM 0 HA SER A 41 -4.491 5.806 -3.332 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.883 3.315 -1.647 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.384 3.996 -2.248 1.00 0.00 H new ATOM 0 HG SER A 41 -4.915 5.669 -0.585 1.00 0.00 H new ATOM 629 N ARG A 42 -5.188 4.414 -5.220 1.00 0.00 N ATOM 630 CA ARG A 42 -5.705 3.740 -6.414 1.00 0.00 C ATOM 631 C ARG A 42 -5.154 2.327 -6.561 1.00 0.00 C ATOM 632 O ARG A 42 -4.758 1.899 -7.646 1.00 0.00 O ATOM 633 CB ARG A 42 -5.389 4.566 -7.652 1.00 0.00 C ATOM 634 CG ARG A 42 -5.989 5.954 -7.586 1.00 0.00 C ATOM 635 CD ARG A 42 -5.758 6.727 -8.875 1.00 0.00 C ATOM 636 NE ARG A 42 -4.335 6.853 -9.187 1.00 0.00 N ATOM 637 CZ ARG A 42 -3.857 7.328 -10.337 1.00 0.00 C ATOM 638 NH1 ARG A 42 -4.683 7.771 -11.281 1.00 0.00 N ATOM 639 NH2 ARG A 42 -2.545 7.377 -10.530 1.00 0.00 N ATOM 0 H ARG A 42 -4.441 5.083 -5.409 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.786 3.651 -6.302 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.308 4.645 -7.767 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.767 4.051 -8.535 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.059 5.879 -7.393 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.552 6.500 -6.750 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.267 6.223 -9.697 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.200 7.720 -8.787 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.664 6.558 -8.478 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.691 7.749 -11.128 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.308 8.133 -12.158 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.910 7.052 -9.801 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.172 7.739 -11.407 1.00 0.00 H new ATOM 653 N TYR A 43 -5.156 1.613 -5.459 1.00 0.00 N ATOM 654 CA TYR A 43 -4.755 0.215 -5.433 1.00 0.00 C ATOM 655 C TYR A 43 -5.876 -0.638 -4.852 1.00 0.00 C ATOM 656 O TYR A 43 -5.889 -1.858 -5.006 1.00 0.00 O ATOM 657 CB TYR A 43 -3.479 0.026 -4.608 1.00 0.00 C ATOM 658 CG TYR A 43 -2.258 0.706 -5.193 1.00 0.00 C ATOM 659 CD1 TYR A 43 -1.651 0.213 -6.343 1.00 0.00 C ATOM 660 CD2 TYR A 43 -1.709 1.835 -4.595 1.00 0.00 C ATOM 661 CE1 TYR A 43 -0.535 0.825 -6.878 1.00 0.00 C ATOM 662 CE2 TYR A 43 -0.592 2.452 -5.128 1.00 0.00 C ATOM 663 CZ TYR A 43 -0.010 1.943 -6.269 1.00 0.00 C ATOM 664 OH TYR A 43 1.103 2.554 -6.804 1.00 0.00 O ATOM 0 H TYR A 43 -5.436 1.981 -4.550 1.00 0.00 H new ATOM 0 HA TYR A 43 -4.553 -0.100 -6.457 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.649 0.411 -3.602 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.276 -1.041 -4.511 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.059 -0.663 -6.825 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.162 2.236 -3.700 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.075 0.428 -7.771 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.178 3.329 -4.652 1.00 0.00 H new ATOM 0 HH TYR A 43 1.810 2.596 -6.127 1.00 0.00 H new ATOM 674 N LEU A 44 -6.819 0.018 -4.191 1.00 0.00 N ATOM 675 CA LEU A 44 -7.939 -0.671 -3.567 1.00 0.00 C ATOM 676 C LEU A 44 -9.231 -0.310 -4.290 1.00 0.00 C ATOM 677 O LEU A 44 -9.332 0.767 -4.881 1.00 0.00 O ATOM 678 CB LEU A 44 -8.063 -0.295 -2.080 1.00 0.00 C ATOM 679 CG LEU A 44 -6.893 -0.698 -1.166 1.00 0.00 C ATOM 680 CD1 LEU A 44 -6.460 -2.130 -1.437 1.00 0.00 C ATOM 681 CD2 LEU A 44 -5.723 0.261 -1.322 1.00 0.00 C ATOM 0 H LEU A 44 -6.830 1.031 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.760 -1.744 -3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.192 0.785 -2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.973 -0.750 -1.689 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.239 -0.640 -0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.632 -2.391 -0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.296 -2.804 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.141 -2.223 -2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.910 -0.047 -0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.378 0.249 -2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.041 1.269 -1.057 1.00 0.00 H new ATOM 693 N PRO A 45 -10.224 -1.215 -4.270 1.00 0.00 N ATOM 694 CA PRO A 45 -11.559 -0.956 -4.826 1.00 0.00 C ATOM 695 C PRO A 45 -12.334 0.058 -3.985 1.00 0.00 C ATOM 696 O PRO A 45 -13.350 -0.279 -3.372 1.00 0.00 O ATOM 697 CB PRO A 45 -12.253 -2.328 -4.780 1.00 0.00 C ATOM 698 CG PRO A 45 -11.179 -3.318 -4.473 1.00 0.00 C ATOM 699 CD PRO A 45 -10.115 -2.572 -3.722 1.00 0.00 C ATOM 0 HA PRO A 45 -11.507 -0.532 -5.829 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.032 -2.347 -4.017 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.733 -2.555 -5.732 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.570 -4.142 -3.876 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.777 -3.751 -5.389 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -10.291 -2.590 -2.646 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -9.126 -2.998 -3.890 1.00 0.00 H new ATOM 707 N TYR A 46 -11.821 1.292 -3.951 1.00 0.00 N ATOM 708 CA TYR A 46 -12.372 2.385 -3.145 1.00 0.00 C ATOM 709 C TYR A 46 -12.053 2.177 -1.671 1.00 0.00 C ATOM 710 O TYR A 46 -11.468 3.048 -1.026 1.00 0.00 O ATOM 711 CB TYR A 46 -13.885 2.551 -3.353 1.00 0.00 C ATOM 712 CG TYR A 46 -14.247 3.362 -4.581 1.00 0.00 C ATOM 713 CD1 TYR A 46 -14.057 2.857 -5.861 1.00 0.00 C ATOM 714 CD2 TYR A 46 -14.775 4.641 -4.453 1.00 0.00 C ATOM 715 CE1 TYR A 46 -14.382 3.604 -6.979 1.00 0.00 C ATOM 716 CE2 TYR A 46 -15.106 5.392 -5.564 1.00 0.00 C ATOM 717 CZ TYR A 46 -14.905 4.872 -6.824 1.00 0.00 C ATOM 718 OH TYR A 46 -15.225 5.622 -7.934 1.00 0.00 O ATOM 0 H TYR A 46 -10.999 1.563 -4.491 1.00 0.00 H new ATOM 0 HA TYR A 46 -11.897 3.306 -3.482 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -14.342 1.565 -3.433 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -14.313 3.031 -2.473 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -13.649 1.865 -5.985 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -14.929 5.055 -3.468 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -14.227 3.197 -7.968 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -15.520 6.382 -5.446 1.00 0.00 H new ATOM 0 HH TYR A 46 -15.582 6.489 -7.651 1.00 0.00 H new ATOM 728 N THR A 47 -12.412 1.014 -1.161 1.00 0.00 N ATOM 729 CA THR A 47 -12.166 0.665 0.223 1.00 0.00 C ATOM 730 C THR A 47 -11.793 -0.810 0.349 1.00 0.00 C ATOM 731 O THR A 47 -12.269 -1.646 -0.418 1.00 0.00 O ATOM 732 CB THR A 47 -13.397 0.967 1.103 1.00 0.00 C ATOM 733 OG1 THR A 47 -14.602 0.621 0.405 1.00 0.00 O ATOM 734 CG2 THR A 47 -13.438 2.434 1.512 1.00 0.00 C ATOM 0 H THR A 47 -12.883 0.285 -1.696 1.00 0.00 H new ATOM 0 HA THR A 47 -11.333 1.275 0.572 1.00 0.00 H new ATOM 0 HB THR A 47 -13.318 0.364 2.007 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.376 0.815 0.973 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.317 2.615 2.131 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.539 2.679 2.078 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.488 3.059 0.620 1.00 0.00 H new ATOM 742 N GLN A 48 -10.923 -1.114 1.303 1.00 0.00 N ATOM 743 CA GLN A 48 -10.483 -2.484 1.554 1.00 0.00 C ATOM 744 C GLN A 48 -9.687 -2.517 2.856 1.00 0.00 C ATOM 745 O GLN A 48 -8.893 -3.425 3.105 1.00 0.00 O ATOM 746 CB GLN A 48 -9.618 -2.980 0.385 1.00 0.00 C ATOM 747 CG GLN A 48 -9.404 -4.488 0.353 1.00 0.00 C ATOM 748 CD GLN A 48 -10.701 -5.259 0.203 1.00 0.00 C ATOM 749 OE1 GLN A 48 -11.159 -5.520 -0.909 1.00 0.00 O ATOM 750 NE2 GLN A 48 -11.291 -5.651 1.321 1.00 0.00 N ATOM 0 H GLN A 48 -10.503 -0.422 1.924 1.00 0.00 H new ATOM 0 HA GLN A 48 -11.349 -3.140 1.642 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -10.084 -2.672 -0.551 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.646 -2.489 0.435 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.739 -4.739 -0.473 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.905 -4.800 1.270 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -10.880 -5.415 2.224 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -12.156 -6.189 1.279 1.00 0.00 H new ATOM 759 N TYR A 49 -9.942 -1.526 3.704 1.00 0.00 N ATOM 760 CA TYR A 49 -9.134 -1.288 4.891 1.00 0.00 C ATOM 761 C TYR A 49 -9.812 -0.260 5.790 1.00 0.00 C ATOM 762 O TYR A 49 -10.724 0.443 5.357 1.00 0.00 O ATOM 763 CB TYR A 49 -7.750 -0.764 4.484 1.00 0.00 C ATOM 764 CG TYR A 49 -7.808 0.535 3.700 1.00 0.00 C ATOM 765 CD1 TYR A 49 -7.790 1.764 4.350 1.00 0.00 C ATOM 766 CD2 TYR A 49 -7.895 0.531 2.312 1.00 0.00 C ATOM 767 CE1 TYR A 49 -7.861 2.948 3.642 1.00 0.00 C ATOM 768 CE2 TYR A 49 -7.962 1.712 1.597 1.00 0.00 C ATOM 769 CZ TYR A 49 -7.947 2.917 2.266 1.00 0.00 C ATOM 770 OH TYR A 49 -8.012 4.097 1.558 1.00 0.00 O ATOM 0 H TYR A 49 -10.713 -0.868 3.587 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.026 -2.228 5.433 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.148 -0.613 5.380 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.244 -1.521 3.884 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.719 1.793 5.427 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.910 -0.411 1.784 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.849 3.894 4.164 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.026 1.691 0.519 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.068 3.901 0.599 1.00 0.00 H new ATOM 780 N ASP A 50 -9.360 -0.164 7.027 1.00 0.00 N ATOM 781 CA ASP A 50 -9.821 0.884 7.921 1.00 0.00 C ATOM 782 C ASP A 50 -8.660 1.801 8.283 1.00 0.00 C ATOM 783 O ASP A 50 -8.763 3.024 8.178 1.00 0.00 O ATOM 784 CB ASP A 50 -10.446 0.293 9.187 1.00 0.00 C ATOM 785 CG ASP A 50 -10.931 1.362 10.145 1.00 0.00 C ATOM 786 OD1 ASP A 50 -12.096 1.797 10.018 1.00 0.00 O ATOM 787 OD2 ASP A 50 -10.151 1.770 11.033 1.00 0.00 O ATOM 0 H ASP A 50 -8.674 -0.799 7.436 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.589 1.462 7.407 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.282 -0.349 8.910 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.713 -0.337 9.691 1.00 0.00 H new ATOM 792 N SER A 51 -7.543 1.201 8.678 1.00 0.00 N ATOM 793 CA SER A 51 -6.358 1.956 9.060 1.00 0.00 C ATOM 794 C SER A 51 -5.371 2.058 7.891 1.00 0.00 C ATOM 795 O SER A 51 -5.431 1.272 6.942 1.00 0.00 O ATOM 796 CB SER A 51 -5.692 1.309 10.279 1.00 0.00 C ATOM 797 OG SER A 51 -6.556 1.338 11.407 1.00 0.00 O ATOM 0 H SER A 51 -7.434 0.189 8.742 1.00 0.00 H new ATOM 0 HA SER A 51 -6.664 2.968 9.325 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.425 0.278 10.047 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.765 1.833 10.513 1.00 0.00 H new ATOM 0 HG SER A 51 -6.110 0.918 12.172 1.00 0.00 H new ATOM 803 N LEU A 52 -4.462 3.026 7.971 1.00 0.00 N ATOM 804 CA LEU A 52 -3.515 3.292 6.891 1.00 0.00 C ATOM 805 C LEU A 52 -2.438 2.212 6.819 1.00 0.00 C ATOM 806 O LEU A 52 -1.906 1.923 5.744 1.00 0.00 O ATOM 807 CB LEU A 52 -2.865 4.668 7.076 1.00 0.00 C ATOM 808 CG LEU A 52 -3.825 5.858 6.994 1.00 0.00 C ATOM 809 CD1 LEU A 52 -3.072 7.161 7.216 1.00 0.00 C ATOM 810 CD2 LEU A 52 -4.540 5.879 5.650 1.00 0.00 C ATOM 0 H LEU A 52 -4.361 3.643 8.777 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.070 3.283 5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.367 4.690 8.045 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.092 4.792 6.318 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.574 5.751 7.779 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.767 7.998 7.155 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.605 7.148 8.201 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.303 7.272 6.452 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.218 6.732 5.612 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.806 5.962 4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.109 4.958 5.526 1.00 0.00 H new ATOM 822 N LEU A 53 -2.118 1.623 7.962 1.00 0.00 N ATOM 823 CA LEU A 53 -1.151 0.533 8.014 1.00 0.00 C ATOM 824 C LEU A 53 -1.744 -0.688 7.317 1.00 0.00 C ATOM 825 O LEU A 53 -1.076 -1.374 6.541 1.00 0.00 O ATOM 826 CB LEU A 53 -0.799 0.217 9.475 1.00 0.00 C ATOM 827 CG LEU A 53 0.608 -0.352 9.724 1.00 0.00 C ATOM 828 CD1 LEU A 53 0.764 -1.740 9.121 1.00 0.00 C ATOM 829 CD2 LEU A 53 1.670 0.589 9.173 1.00 0.00 C ATOM 0 H LEU A 53 -2.513 1.881 8.866 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.233 0.821 7.502 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.908 1.131 10.059 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.530 -0.495 9.858 1.00 0.00 H new ATOM 0 HG LEU A 53 0.742 -0.441 10.802 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.770 -2.111 9.316 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.035 -2.415 9.569 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.598 -1.690 8.045 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.659 0.170 9.358 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.524 0.714 8.100 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.588 1.558 9.665 1.00 0.00 H new ATOM 841 N ASP A 54 -3.022 -0.928 7.582 1.00 0.00 N ATOM 842 CA ASP A 54 -3.751 -2.025 6.963 1.00 0.00 C ATOM 843 C ASP A 54 -3.872 -1.815 5.465 1.00 0.00 C ATOM 844 O ASP A 54 -3.913 -2.774 4.700 1.00 0.00 O ATOM 845 CB ASP A 54 -5.136 -2.176 7.586 1.00 0.00 C ATOM 846 CG ASP A 54 -5.085 -2.892 8.917 1.00 0.00 C ATOM 847 OD1 ASP A 54 -4.549 -4.017 8.968 1.00 0.00 O ATOM 848 OD2 ASP A 54 -5.595 -2.338 9.913 1.00 0.00 O ATOM 0 H ASP A 54 -3.579 -0.370 8.229 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.189 -2.942 7.141 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.582 -1.191 7.722 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.782 -2.727 6.903 1.00 0.00 H new ATOM 853 N LEU A 55 -3.933 -0.550 5.058 1.00 0.00 N ATOM 854 CA LEU A 55 -4.008 -0.187 3.646 1.00 0.00 C ATOM 855 C LEU A 55 -2.862 -0.841 2.877 1.00 0.00 C ATOM 856 O LEU A 55 -3.077 -1.473 1.845 1.00 0.00 O ATOM 857 CB LEU A 55 -3.958 1.347 3.510 1.00 0.00 C ATOM 858 CG LEU A 55 -4.285 1.940 2.129 1.00 0.00 C ATOM 859 CD1 LEU A 55 -4.577 3.426 2.259 1.00 0.00 C ATOM 860 CD2 LEU A 55 -3.141 1.739 1.147 1.00 0.00 C ATOM 0 H LEU A 55 -3.932 0.248 5.693 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.947 -0.546 3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.652 1.773 4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.959 1.679 3.793 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.162 1.418 1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.808 3.839 1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.429 3.573 2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.704 3.934 2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.409 2.171 0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.245 2.229 1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.948 0.673 1.026 1.00 0.00 H new ATOM 872 N ALA A 56 -1.651 -0.702 3.401 1.00 0.00 N ATOM 873 CA ALA A 56 -0.466 -1.245 2.749 1.00 0.00 C ATOM 874 C ALA A 56 -0.508 -2.770 2.699 1.00 0.00 C ATOM 875 O ALA A 56 -0.168 -3.379 1.683 1.00 0.00 O ATOM 876 CB ALA A 56 0.788 -0.772 3.467 1.00 0.00 C ATOM 0 H ALA A 56 -1.463 -0.216 4.278 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.448 -0.880 1.722 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.668 -1.183 2.972 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.833 0.317 3.442 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.763 -1.110 4.503 1.00 0.00 H new ATOM 882 N ARG A 57 -0.944 -3.382 3.794 1.00 0.00 N ATOM 883 CA ARG A 57 -0.986 -4.838 3.894 1.00 0.00 C ATOM 884 C ARG A 57 -2.081 -5.413 3.004 1.00 0.00 C ATOM 885 O ARG A 57 -1.906 -6.468 2.394 1.00 0.00 O ATOM 886 CB ARG A 57 -1.188 -5.275 5.349 1.00 0.00 C ATOM 887 CG ARG A 57 -0.084 -4.796 6.275 1.00 0.00 C ATOM 888 CD ARG A 57 -0.144 -5.475 7.631 1.00 0.00 C ATOM 889 NE ARG A 57 -1.328 -5.103 8.406 1.00 0.00 N ATOM 890 CZ ARG A 57 -1.391 -5.185 9.736 1.00 0.00 C ATOM 891 NH1 ARG A 57 -0.339 -5.608 10.432 1.00 0.00 N ATOM 892 NH2 ARG A 57 -2.506 -4.846 10.369 1.00 0.00 N ATOM 0 H ARG A 57 -1.274 -2.893 4.626 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.029 -5.228 3.548 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.145 -4.894 5.707 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.242 -6.363 5.391 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.885 -4.990 5.815 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.164 -3.717 6.406 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.134 -6.556 7.490 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.750 -5.219 8.199 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.148 -4.763 7.903 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.520 -5.871 9.949 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.391 -5.669 11.449 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.315 -4.523 9.839 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.554 -4.909 11.386 1.00 0.00 H new ATOM 906 N ALA A 58 -3.202 -4.704 2.917 1.00 0.00 N ATOM 907 CA ALA A 58 -4.316 -5.130 2.080 1.00 0.00 C ATOM 908 C ALA A 58 -3.907 -5.169 0.616 1.00 0.00 C ATOM 909 O ALA A 58 -4.313 -6.063 -0.125 1.00 0.00 O ATOM 910 CB ALA A 58 -5.518 -4.215 2.274 1.00 0.00 C ATOM 0 H ALA A 58 -3.362 -3.830 3.418 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.600 -6.138 2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.338 -4.552 1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.832 -4.243 3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.246 -3.195 2.004 1.00 0.00 H new ATOM 916 N ILE A 59 -3.082 -4.208 0.213 1.00 0.00 N ATOM 917 CA ILE A 59 -2.594 -4.156 -1.156 1.00 0.00 C ATOM 918 C ILE A 59 -1.775 -5.399 -1.472 1.00 0.00 C ATOM 919 O ILE A 59 -2.047 -6.092 -2.449 1.00 0.00 O ATOM 920 CB ILE A 59 -1.722 -2.905 -1.409 1.00 0.00 C ATOM 921 CG1 ILE A 59 -2.533 -1.630 -1.179 1.00 0.00 C ATOM 922 CG2 ILE A 59 -1.157 -2.927 -2.824 1.00 0.00 C ATOM 923 CD1 ILE A 59 -1.719 -0.363 -1.336 1.00 0.00 C ATOM 0 H ILE A 59 -2.740 -3.458 0.814 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.468 -4.107 -1.806 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.891 -2.917 -0.704 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.366 -1.607 -1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.961 -1.656 -0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.546 -2.039 -2.985 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.544 -3.819 -2.957 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.976 -2.939 -3.543 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.356 0.503 -1.159 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.901 -0.365 -0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.313 -0.314 -2.346 1.00 0.00 H new ATOM 935 N ILE A 60 -0.812 -5.707 -0.613 1.00 0.00 N ATOM 936 CA ILE A 60 0.088 -6.828 -0.849 1.00 0.00 C ATOM 937 C ILE A 60 -0.681 -8.147 -0.931 1.00 0.00 C ATOM 938 O ILE A 60 -0.384 -9.000 -1.767 1.00 0.00 O ATOM 939 CB ILE A 60 1.186 -6.922 0.236 1.00 0.00 C ATOM 940 CG1 ILE A 60 1.943 -5.597 0.333 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.148 -8.052 -0.099 1.00 0.00 C ATOM 942 CD1 ILE A 60 2.935 -5.544 1.474 1.00 0.00 C ATOM 0 H ILE A 60 -0.634 -5.197 0.252 1.00 0.00 H new ATOM 0 HA ILE A 60 0.574 -6.646 -1.807 1.00 0.00 H new ATOM 0 HB ILE A 60 0.718 -7.129 1.198 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.471 -5.421 -0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.224 -4.786 0.451 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.919 -8.113 0.669 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.602 -8.994 -0.141 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.613 -7.859 -1.066 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.433 -4.574 1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.411 -5.687 2.419 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.677 -6.332 1.348 1.00 0.00 H new ATOM 954 N ARG A 61 -1.686 -8.302 -0.076 1.00 0.00 N ATOM 955 CA ARG A 61 -2.462 -9.534 -0.039 1.00 0.00 C ATOM 956 C ARG A 61 -3.335 -9.689 -1.286 1.00 0.00 C ATOM 957 O ARG A 61 -3.416 -10.774 -1.864 1.00 0.00 O ATOM 958 CB ARG A 61 -3.356 -9.566 1.200 1.00 0.00 C ATOM 959 CG ARG A 61 -4.099 -10.880 1.369 1.00 0.00 C ATOM 960 CD ARG A 61 -5.272 -10.740 2.320 1.00 0.00 C ATOM 961 NE ARG A 61 -6.330 -9.900 1.758 1.00 0.00 N ATOM 962 CZ ARG A 61 -7.495 -9.674 2.353 1.00 0.00 C ATOM 963 NH1 ARG A 61 -7.749 -10.208 3.541 1.00 0.00 N ATOM 964 NH2 ARG A 61 -8.399 -8.909 1.760 1.00 0.00 N ATOM 0 H ARG A 61 -1.980 -7.594 0.597 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.751 -10.360 -0.005 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.746 -9.385 2.085 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.079 -8.753 1.139 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.456 -11.224 0.398 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.414 -11.640 1.745 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.674 -11.727 2.549 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.928 -10.310 3.261 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.162 -9.461 0.853 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.049 -10.793 3.998 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.644 -10.034 3.998 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.199 -8.496 0.849 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.295 -8.733 2.214 1.00 0.00 H new ATOM 978 N ASP A 62 -3.987 -8.606 -1.696 1.00 0.00 N ATOM 979 CA ASP A 62 -4.971 -8.681 -2.773 1.00 0.00 C ATOM 980 C ASP A 62 -4.350 -8.521 -4.148 1.00 0.00 C ATOM 981 O ASP A 62 -4.892 -9.013 -5.139 1.00 0.00 O ATOM 982 CB ASP A 62 -6.090 -7.659 -2.566 1.00 0.00 C ATOM 983 CG ASP A 62 -7.286 -8.262 -1.856 1.00 0.00 C ATOM 984 OD1 ASP A 62 -7.324 -8.238 -0.607 1.00 0.00 O ATOM 985 OD2 ASP A 62 -8.192 -8.772 -2.552 1.00 0.00 O ATOM 0 H ASP A 62 -3.855 -7.674 -1.304 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.398 -9.683 -2.732 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.710 -6.818 -1.986 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.403 -7.264 -3.532 1.00 0.00 H new ATOM 990 N THR A 63 -3.222 -7.850 -4.214 1.00 0.00 N ATOM 991 CA THR A 63 -2.485 -7.753 -5.462 1.00 0.00 C ATOM 992 C THR A 63 -1.231 -8.610 -5.376 1.00 0.00 C ATOM 993 O THR A 63 -0.187 -8.183 -4.878 1.00 0.00 O ATOM 994 CB THR A 63 -2.132 -6.294 -5.856 1.00 0.00 C ATOM 995 OG1 THR A 63 -1.330 -5.659 -4.853 1.00 0.00 O ATOM 996 CG2 THR A 63 -3.394 -5.474 -6.085 1.00 0.00 C ATOM 0 H THR A 63 -2.794 -7.365 -3.426 1.00 0.00 H new ATOM 0 HA THR A 63 -3.136 -8.124 -6.254 1.00 0.00 H new ATOM 0 HB THR A 63 -1.559 -6.342 -6.782 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.858 -5.547 -4.035 1.00 0.00 H new ATOM 0 HG21 THR A 63 -3.121 -4.455 -6.360 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.979 -5.922 -6.888 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.987 -5.456 -5.171 1.00 0.00 H new ATOM 1004 N VAL A 64 -1.355 -9.840 -5.855 1.00 0.00 N ATOM 1005 CA VAL A 64 -0.308 -10.843 -5.703 1.00 0.00 C ATOM 1006 C VAL A 64 0.915 -10.495 -6.552 1.00 0.00 C ATOM 1007 O VAL A 64 1.962 -11.137 -6.460 1.00 0.00 O ATOM 1008 CB VAL A 64 -0.828 -12.248 -6.075 1.00 0.00 C ATOM 1009 CG1 VAL A 64 0.124 -13.332 -5.594 1.00 0.00 C ATOM 1010 CG2 VAL A 64 -2.220 -12.473 -5.505 1.00 0.00 C ATOM 0 H VAL A 64 -2.179 -10.170 -6.357 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.011 -10.849 -4.654 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.884 -12.306 -7.162 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.269 -14.310 -5.871 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.101 -13.190 -6.056 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.223 -13.274 -4.510 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.569 -13.469 -5.778 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.187 -12.386 -4.419 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.904 -11.726 -5.909 1.00 0.00 H new ATOM 1020 N GLU A 65 0.792 -9.449 -7.360 1.00 0.00 N ATOM 1021 CA GLU A 65 1.904 -8.980 -8.171 1.00 0.00 C ATOM 1022 C GLU A 65 2.946 -8.289 -7.292 1.00 0.00 C ATOM 1023 O GLU A 65 4.074 -8.038 -7.726 1.00 0.00 O ATOM 1024 CB GLU A 65 1.412 -8.024 -9.259 1.00 0.00 C ATOM 1025 CG GLU A 65 0.333 -8.620 -10.149 1.00 0.00 C ATOM 1026 CD GLU A 65 0.692 -10.006 -10.646 1.00 0.00 C ATOM 1027 OE1 GLU A 65 1.680 -10.140 -11.396 1.00 0.00 O ATOM 1028 OE2 GLU A 65 -0.012 -10.974 -10.284 1.00 0.00 O ATOM 0 H GLU A 65 -0.067 -8.911 -7.470 1.00 0.00 H new ATOM 0 HA GLU A 65 2.366 -9.842 -8.653 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.025 -7.120 -8.789 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.258 -7.725 -9.878 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.605 -8.667 -9.596 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.167 -7.963 -11.003 1.00 0.00 H new ATOM 1035 N PHE A 66 2.559 -7.987 -6.056 1.00 0.00 N ATOM 1036 CA PHE A 66 3.466 -7.381 -5.087 1.00 0.00 C ATOM 1037 C PHE A 66 4.070 -8.442 -4.170 1.00 0.00 C ATOM 1038 O PHE A 66 4.749 -8.121 -3.195 1.00 0.00 O ATOM 1039 CB PHE A 66 2.742 -6.315 -4.257 1.00 0.00 C ATOM 1040 CG PHE A 66 2.531 -5.017 -4.989 1.00 0.00 C ATOM 1041 CD1 PHE A 66 1.515 -4.883 -5.922 1.00 0.00 C ATOM 1042 CD2 PHE A 66 3.350 -3.930 -4.737 1.00 0.00 C ATOM 1043 CE1 PHE A 66 1.325 -3.691 -6.593 1.00 0.00 C ATOM 1044 CE2 PHE A 66 3.165 -2.734 -5.405 1.00 0.00 C ATOM 1045 CZ PHE A 66 2.149 -2.614 -6.331 1.00 0.00 C ATOM 0 H PHE A 66 1.618 -8.153 -5.701 1.00 0.00 H new ATOM 0 HA PHE A 66 4.274 -6.901 -5.640 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.774 -6.707 -3.944 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.316 -6.121 -3.351 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.864 -5.720 -6.127 1.00 0.00 H new ATOM 0 HD2 PHE A 66 4.143 -4.017 -4.009 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.533 -3.601 -7.322 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.814 -1.895 -5.203 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.998 -1.679 -6.850 1.00 0.00 H new ATOM 1055 N SER A 67 3.826 -9.705 -4.484 1.00 0.00 N ATOM 1056 CA SER A 67 4.405 -10.800 -3.724 1.00 0.00 C ATOM 1057 C SER A 67 5.678 -11.283 -4.414 1.00 0.00 C ATOM 1058 O SER A 67 5.624 -11.884 -5.488 1.00 0.00 O ATOM 1059 CB SER A 67 3.395 -11.945 -3.580 1.00 0.00 C ATOM 1060 OG SER A 67 3.879 -12.960 -2.714 1.00 0.00 O ATOM 0 H SER A 67 3.231 -9.996 -5.260 1.00 0.00 H new ATOM 0 HA SER A 67 4.658 -10.449 -2.724 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.453 -11.555 -3.194 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.185 -12.372 -4.561 1.00 0.00 H new ATOM 0 HG SER A 67 3.814 -12.655 -1.785 1.00 0.00 H new