USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=17 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 Set 1.1: A 26 LYS NZ :NH3+ 165:sc= 1.21 (180deg=0) USER MOD Set 1.2: A 43 TYR OH : rot 180:sc= 1.17 USER MOD Set 2.1: A 3 HIS : no HD1:sc= -0.0796 X(o=-0.08,f=0) USER MOD Set 2.2: A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 38:sc= 0.161 USER MOD Single : A 4 HIS : no HD1:sc= 0.138 K(o=0.14,f=-5.8!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -138:sc= 1.25 USER MOD Single : A 22 THR OG1 : rot 15:sc= -0.0951 USER MOD Single : A 24 ASN : amide:sc= 0.963 K(o=0.96,f=-6!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -160:sc= 0.967 USER MOD Single : A 41 SER OG : rot 21:sc= 0.23 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 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot 15:sc= -0.626 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -83:sc= -0.587! USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 14.668 6.306 10.458 1.00 0.00 N ATOM 21 CA THR A 2 13.913 7.003 9.429 1.00 0.00 C ATOM 22 C THR A 2 13.037 6.045 8.619 1.00 0.00 C ATOM 23 O THR A 2 12.059 6.461 8.000 1.00 0.00 O ATOM 24 CB THR A 2 14.873 7.771 8.496 1.00 0.00 C ATOM 25 OG1 THR A 2 15.706 8.630 9.286 1.00 0.00 O ATOM 26 CG2 THR A 2 14.115 8.609 7.475 1.00 0.00 C ATOM 0 HA THR A 2 13.250 7.711 9.926 1.00 0.00 H new ATOM 0 HB THR A 2 15.475 7.042 7.954 1.00 0.00 H new ATOM 0 HG1 THR A 2 15.943 8.177 10.122 1.00 0.00 H new ATOM 0 HG21 THR A 2 14.825 9.135 6.837 1.00 0.00 H new ATOM 0 HG22 THR A 2 13.489 7.959 6.863 1.00 0.00 H new ATOM 0 HG23 THR A 2 13.487 9.334 7.993 1.00 0.00 H new ATOM 34 N HIS A 3 13.363 4.763 8.636 1.00 0.00 N ATOM 35 CA HIS A 3 12.593 3.808 7.857 1.00 0.00 C ATOM 36 C HIS A 3 12.032 2.693 8.726 1.00 0.00 C ATOM 37 O HIS A 3 12.706 2.187 9.623 1.00 0.00 O ATOM 38 CB HIS A 3 13.421 3.225 6.698 1.00 0.00 C ATOM 39 CG HIS A 3 14.618 2.407 7.105 1.00 0.00 C ATOM 40 ND1 HIS A 3 15.909 2.876 7.018 1.00 0.00 N ATOM 41 CD2 HIS A 3 14.718 1.134 7.563 1.00 0.00 C ATOM 42 CE1 HIS A 3 16.747 1.933 7.402 1.00 0.00 C ATOM 43 NE2 HIS A 3 16.052 0.863 7.738 1.00 0.00 N ATOM 0 H HIS A 3 14.138 4.366 9.168 1.00 0.00 H new ATOM 0 HA HIS A 3 11.752 4.355 7.431 1.00 0.00 H new ATOM 0 HB2 HIS A 3 12.769 2.603 6.085 1.00 0.00 H new ATOM 0 HB3 HIS A 3 13.761 4.047 6.068 1.00 0.00 H new ATOM 0 HD2 HIS A 3 13.898 0.458 7.755 1.00 0.00 H new ATOM 0 HE1 HIS A 3 17.823 2.022 7.436 1.00 0.00 H new ATOM 0 HE2 HIS A 3 16.441 -0.019 8.072 1.00 0.00 H new ATOM 52 N HIS A 4 10.783 2.344 8.464 1.00 0.00 N ATOM 53 CA HIS A 4 10.163 1.171 9.062 1.00 0.00 C ATOM 54 C HIS A 4 10.050 0.076 8.017 1.00 0.00 C ATOM 55 O HIS A 4 9.410 0.271 6.986 1.00 0.00 O ATOM 56 CB HIS A 4 8.766 1.489 9.614 1.00 0.00 C ATOM 57 CG HIS A 4 8.007 0.282 10.082 1.00 0.00 C ATOM 58 ND1 HIS A 4 8.465 -0.581 11.056 1.00 0.00 N ATOM 59 CD2 HIS A 4 6.817 -0.208 9.681 1.00 0.00 C ATOM 60 CE1 HIS A 4 7.587 -1.553 11.227 1.00 0.00 C ATOM 61 NE2 HIS A 4 6.576 -1.349 10.406 1.00 0.00 N ATOM 0 H HIS A 4 10.172 2.863 7.834 1.00 0.00 H new ATOM 0 HA HIS A 4 10.789 0.844 9.892 1.00 0.00 H new ATOM 0 HB2 HIS A 4 8.865 2.188 10.444 1.00 0.00 H new ATOM 0 HB3 HIS A 4 8.187 1.993 8.840 1.00 0.00 H new ATOM 0 HD2 HIS A 4 6.171 0.219 8.928 1.00 0.00 H new ATOM 0 HE1 HIS A 4 7.681 -2.375 11.921 1.00 0.00 H new ATOM 0 HE2 HIS A 4 5.750 -1.942 10.323 1.00 0.00 H new ATOM 70 N THR A 5 10.672 -1.055 8.278 1.00 0.00 N ATOM 71 CA THR A 5 10.558 -2.200 7.398 1.00 0.00 C ATOM 72 C THR A 5 9.661 -3.253 8.036 1.00 0.00 C ATOM 73 O THR A 5 9.747 -3.512 9.239 1.00 0.00 O ATOM 74 CB THR A 5 11.932 -2.821 7.102 1.00 0.00 C ATOM 75 OG1 THR A 5 12.932 -1.793 7.027 1.00 0.00 O ATOM 76 CG2 THR A 5 11.904 -3.592 5.794 1.00 0.00 C ATOM 0 H THR A 5 11.264 -1.206 9.095 1.00 0.00 H new ATOM 0 HA THR A 5 10.125 -1.856 6.458 1.00 0.00 H new ATOM 0 HB THR A 5 12.175 -3.509 7.912 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.804 -2.198 6.840 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.887 -4.023 5.605 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.164 -4.390 5.858 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.641 -2.917 4.979 1.00 0.00 H new ATOM 84 N GLU A 6 8.798 -3.840 7.237 1.00 0.00 N ATOM 85 CA GLU A 6 7.883 -4.863 7.713 1.00 0.00 C ATOM 86 C GLU A 6 7.594 -5.830 6.579 1.00 0.00 C ATOM 87 O GLU A 6 7.384 -5.408 5.447 1.00 0.00 O ATOM 88 CB GLU A 6 6.594 -4.210 8.218 1.00 0.00 C ATOM 89 CG GLU A 6 5.730 -5.124 9.072 1.00 0.00 C ATOM 90 CD GLU A 6 4.553 -4.395 9.684 1.00 0.00 C ATOM 91 OE1 GLU A 6 4.750 -3.277 10.211 1.00 0.00 O ATOM 92 OE2 GLU A 6 3.424 -4.933 9.637 1.00 0.00 O ATOM 0 H GLU A 6 8.708 -3.626 6.244 1.00 0.00 H new ATOM 0 HA GLU A 6 8.331 -5.412 8.541 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.851 -3.324 8.798 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.011 -3.872 7.362 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.365 -5.950 8.462 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.338 -5.558 9.866 1.00 0.00 H new ATOM 99 N VAL A 7 7.601 -7.117 6.865 1.00 0.00 N ATOM 100 CA VAL A 7 7.411 -8.111 5.825 1.00 0.00 C ATOM 101 C VAL A 7 6.041 -8.760 5.924 1.00 0.00 C ATOM 102 O VAL A 7 5.722 -9.433 6.906 1.00 0.00 O ATOM 103 CB VAL A 7 8.504 -9.198 5.864 1.00 0.00 C ATOM 104 CG1 VAL A 7 8.305 -10.204 4.742 1.00 0.00 C ATOM 105 CG2 VAL A 7 9.883 -8.565 5.771 1.00 0.00 C ATOM 0 H VAL A 7 7.735 -7.498 7.802 1.00 0.00 H new ATOM 0 HA VAL A 7 7.484 -7.584 4.874 1.00 0.00 H new ATOM 0 HB VAL A 7 8.426 -9.727 6.814 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.088 -10.961 4.789 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.331 -10.681 4.850 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.354 -9.692 3.781 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.644 -9.345 5.800 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.967 -8.011 4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.029 -7.885 6.610 1.00 0.00 H new ATOM 115 N PHE A 8 5.235 -8.545 4.899 1.00 0.00 N ATOM 116 CA PHE A 8 3.898 -9.103 4.839 1.00 0.00 C ATOM 117 C PHE A 8 3.828 -10.146 3.733 1.00 0.00 C ATOM 118 O PHE A 8 3.826 -9.801 2.554 1.00 0.00 O ATOM 119 CB PHE A 8 2.894 -7.978 4.565 1.00 0.00 C ATOM 120 CG PHE A 8 1.450 -8.365 4.719 1.00 0.00 C ATOM 121 CD1 PHE A 8 0.888 -8.505 5.977 1.00 0.00 C ATOM 122 CD2 PHE A 8 0.647 -8.566 3.607 1.00 0.00 C ATOM 123 CE1 PHE A 8 -0.444 -8.845 6.124 1.00 0.00 C ATOM 124 CE2 PHE A 8 -0.686 -8.903 3.748 1.00 0.00 C ATOM 125 CZ PHE A 8 -1.231 -9.044 5.008 1.00 0.00 C ATOM 0 H PHE A 8 5.489 -7.981 4.088 1.00 0.00 H new ATOM 0 HA PHE A 8 3.655 -9.579 5.789 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.107 -7.149 5.240 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.050 -7.611 3.551 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.498 -8.347 6.854 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.068 -8.458 2.618 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.868 -8.955 7.111 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.300 -9.056 2.873 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.272 -9.310 5.120 1.00 0.00 H new ATOM 135 N GLU A 9 3.783 -11.417 4.119 1.00 0.00 N ATOM 136 CA GLU A 9 3.678 -12.524 3.162 1.00 0.00 C ATOM 137 C GLU A 9 4.789 -12.468 2.106 1.00 0.00 C ATOM 138 O GLU A 9 4.583 -12.826 0.947 1.00 0.00 O ATOM 139 CB GLU A 9 2.296 -12.514 2.498 1.00 0.00 C ATOM 140 CG GLU A 9 1.158 -12.722 3.484 1.00 0.00 C ATOM 141 CD GLU A 9 1.166 -14.105 4.104 1.00 0.00 C ATOM 142 OE1 GLU A 9 2.200 -14.510 4.678 1.00 0.00 O ATOM 143 OE2 GLU A 9 0.131 -14.795 4.026 1.00 0.00 O ATOM 0 H GLU A 9 3.818 -11.712 5.095 1.00 0.00 H new ATOM 0 HA GLU A 9 3.801 -13.457 3.711 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.154 -11.564 1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.259 -13.296 1.739 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.226 -11.974 4.274 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.208 -12.562 2.975 1.00 0.00 H new ATOM 150 N GLY A 10 5.976 -12.051 2.523 1.00 0.00 N ATOM 151 CA GLY A 10 7.091 -11.955 1.601 1.00 0.00 C ATOM 152 C GLY A 10 7.224 -10.571 1.002 1.00 0.00 C ATOM 153 O GLY A 10 8.230 -10.252 0.373 1.00 0.00 O ATOM 0 H GLY A 10 6.188 -11.777 3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.013 -12.213 2.122 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.962 -12.684 0.801 1.00 0.00 H new ATOM 157 N GLY A 11 6.204 -9.749 1.194 1.00 0.00 N ATOM 158 CA GLY A 11 6.235 -8.397 0.684 1.00 0.00 C ATOM 159 C GLY A 11 6.911 -7.459 1.652 1.00 0.00 C ATOM 160 O GLY A 11 6.717 -7.570 2.860 1.00 0.00 O ATOM 0 H GLY A 11 5.352 -9.997 1.697 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.761 -8.379 -0.270 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.218 -8.055 0.494 1.00 0.00 H new ATOM 164 N THR A 12 7.703 -6.541 1.141 1.00 0.00 N ATOM 165 CA THR A 12 8.465 -5.653 1.995 1.00 0.00 C ATOM 166 C THR A 12 7.809 -4.278 2.070 1.00 0.00 C ATOM 167 O THR A 12 7.685 -3.578 1.065 1.00 0.00 O ATOM 168 CB THR A 12 9.914 -5.520 1.496 1.00 0.00 C ATOM 169 OG1 THR A 12 10.471 -6.830 1.305 1.00 0.00 O ATOM 170 CG2 THR A 12 10.767 -4.749 2.492 1.00 0.00 C ATOM 0 H THR A 12 7.836 -6.390 0.141 1.00 0.00 H new ATOM 0 HA THR A 12 8.481 -6.087 2.995 1.00 0.00 H new ATOM 0 HB THR A 12 9.907 -4.972 0.554 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.394 -6.750 0.985 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.786 -4.670 2.114 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.353 -3.750 2.629 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.774 -5.273 3.448 1.00 0.00 H new ATOM 178 N ILE A 13 7.387 -3.906 3.266 1.00 0.00 N ATOM 179 CA ILE A 13 6.781 -2.610 3.493 1.00 0.00 C ATOM 180 C ILE A 13 7.831 -1.644 4.009 1.00 0.00 C ATOM 181 O ILE A 13 8.444 -1.874 5.054 1.00 0.00 O ATOM 182 CB ILE A 13 5.623 -2.695 4.516 1.00 0.00 C ATOM 183 CG1 ILE A 13 4.509 -3.606 3.988 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.078 -1.308 4.840 1.00 0.00 C ATOM 185 CD1 ILE A 13 3.378 -3.817 4.970 1.00 0.00 C ATOM 0 H ILE A 13 7.455 -4.490 4.100 1.00 0.00 H new ATOM 0 HA ILE A 13 6.374 -2.259 2.545 1.00 0.00 H new ATOM 0 HB ILE A 13 6.013 -3.125 5.438 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.106 -3.178 3.070 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.937 -4.574 3.727 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.265 -1.396 5.561 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.873 -0.694 5.263 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.705 -0.841 3.928 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.628 -4.472 4.526 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.767 -4.275 5.880 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.923 -2.857 5.213 1.00 0.00 H new ATOM 197 N ASP A 14 8.039 -0.579 3.261 1.00 0.00 N ATOM 198 CA ASP A 14 9.022 0.426 3.607 1.00 0.00 C ATOM 199 C ASP A 14 8.329 1.746 3.884 1.00 0.00 C ATOM 200 O ASP A 14 7.687 2.317 3.000 1.00 0.00 O ATOM 201 CB ASP A 14 10.033 0.612 2.470 1.00 0.00 C ATOM 202 CG ASP A 14 10.857 -0.627 2.188 1.00 0.00 C ATOM 203 OD1 ASP A 14 11.751 -0.950 2.998 1.00 0.00 O ATOM 204 OD2 ASP A 14 10.637 -1.264 1.135 1.00 0.00 O ATOM 0 H ASP A 14 7.532 -0.387 2.397 1.00 0.00 H new ATOM 0 HA ASP A 14 9.554 0.094 4.498 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.500 0.899 1.563 1.00 0.00 H new ATOM 0 HB3 ASP A 14 10.702 1.435 2.720 1.00 0.00 H new ATOM 209 N ILE A 15 8.439 2.222 5.107 1.00 0.00 N ATOM 210 CA ILE A 15 7.869 3.508 5.460 1.00 0.00 C ATOM 211 C ILE A 15 8.985 4.508 5.694 1.00 0.00 C ATOM 212 O ILE A 15 9.838 4.306 6.559 1.00 0.00 O ATOM 213 CB ILE A 15 6.982 3.420 6.720 1.00 0.00 C ATOM 214 CG1 ILE A 15 5.847 2.412 6.504 1.00 0.00 C ATOM 215 CG2 ILE A 15 6.421 4.795 7.072 1.00 0.00 C ATOM 216 CD1 ILE A 15 4.928 2.265 7.699 1.00 0.00 C ATOM 0 H ILE A 15 8.915 1.742 5.871 1.00 0.00 H new ATOM 0 HA ILE A 15 7.238 3.832 4.632 1.00 0.00 H new ATOM 0 HB ILE A 15 7.594 3.075 7.554 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.258 2.720 5.640 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.277 1.439 6.266 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.798 4.716 7.963 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.243 5.485 7.264 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.821 5.167 6.241 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.150 1.536 7.472 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.503 1.926 8.561 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.468 3.227 7.925 1.00 0.00 H new ATOM 228 N GLU A 16 8.982 5.576 4.913 1.00 0.00 N ATOM 229 CA GLU A 16 10.017 6.590 5.004 1.00 0.00 C ATOM 230 C GLU A 16 9.534 7.807 5.758 1.00 0.00 C ATOM 231 O GLU A 16 8.617 8.502 5.313 1.00 0.00 O ATOM 232 CB GLU A 16 10.462 7.056 3.631 1.00 0.00 C ATOM 233 CG GLU A 16 11.154 6.001 2.786 1.00 0.00 C ATOM 234 CD GLU A 16 11.441 6.499 1.383 1.00 0.00 C ATOM 235 OE1 GLU A 16 12.517 7.093 1.167 1.00 0.00 O ATOM 236 OE2 GLU A 16 10.582 6.321 0.492 1.00 0.00 O ATOM 0 H GLU A 16 8.271 5.763 4.206 1.00 0.00 H new ATOM 0 HA GLU A 16 10.849 6.124 5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.590 7.420 3.088 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.138 7.902 3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.088 5.707 3.265 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.529 5.110 2.734 1.00 0.00 H new ATOM 243 N ASP A 17 10.166 8.050 6.889 1.00 0.00 N ATOM 244 CA ASP A 17 9.978 9.271 7.655 1.00 0.00 C ATOM 245 C ASP A 17 8.497 9.556 7.920 1.00 0.00 C ATOM 246 O ASP A 17 8.040 10.689 7.777 1.00 0.00 O ATOM 247 CB ASP A 17 10.636 10.452 6.933 1.00 0.00 C ATOM 248 CG ASP A 17 10.790 11.669 7.826 1.00 0.00 C ATOM 249 OD1 ASP A 17 11.456 11.562 8.877 1.00 0.00 O ATOM 250 OD2 ASP A 17 10.259 12.745 7.473 1.00 0.00 O ATOM 0 H ASP A 17 10.831 7.401 7.308 1.00 0.00 H new ATOM 0 HA ASP A 17 10.458 9.134 8.624 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.617 10.148 6.567 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.038 10.719 6.061 1.00 0.00 H new ATOM 255 N ASP A 18 7.751 8.502 8.267 1.00 0.00 N ATOM 256 CA ASP A 18 6.353 8.631 8.716 1.00 0.00 C ATOM 257 C ASP A 18 5.372 8.920 7.562 1.00 0.00 C ATOM 258 O ASP A 18 4.158 8.798 7.730 1.00 0.00 O ATOM 259 CB ASP A 18 6.266 9.721 9.805 1.00 0.00 C ATOM 260 CG ASP A 18 4.853 10.052 10.249 1.00 0.00 C ATOM 261 OD1 ASP A 18 4.292 9.303 11.075 1.00 0.00 O ATOM 262 OD2 ASP A 18 4.318 11.095 9.812 1.00 0.00 O ATOM 0 H ASP A 18 8.092 7.541 8.246 1.00 0.00 H new ATOM 0 HA ASP A 18 6.048 7.670 9.130 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.840 9.397 10.673 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.739 10.629 9.431 1.00 0.00 H new ATOM 267 N THR A 19 5.882 9.265 6.388 1.00 0.00 N ATOM 268 CA THR A 19 5.015 9.679 5.290 1.00 0.00 C ATOM 269 C THR A 19 5.154 8.807 4.045 1.00 0.00 C ATOM 270 O THR A 19 4.162 8.286 3.536 1.00 0.00 O ATOM 271 CB THR A 19 5.290 11.139 4.911 1.00 0.00 C ATOM 272 OG1 THR A 19 6.705 11.350 4.794 1.00 0.00 O ATOM 273 CG2 THR A 19 4.713 12.080 5.952 1.00 0.00 C ATOM 0 H THR A 19 6.879 9.267 6.171 1.00 0.00 H new ATOM 0 HA THR A 19 3.995 9.564 5.656 1.00 0.00 H new ATOM 0 HB THR A 19 4.811 11.347 3.954 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.878 12.283 4.550 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.919 13.111 5.664 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.635 11.931 6.020 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.170 11.875 6.920 1.00 0.00 H new ATOM 281 N SER A 20 6.374 8.664 3.546 1.00 0.00 N ATOM 282 CA SER A 20 6.606 7.987 2.277 1.00 0.00 C ATOM 283 C SER A 20 6.235 6.509 2.371 1.00 0.00 C ATOM 284 O SER A 20 6.832 5.757 3.146 1.00 0.00 O ATOM 285 CB SER A 20 8.068 8.133 1.867 1.00 0.00 C ATOM 286 OG SER A 20 8.269 7.784 0.508 1.00 0.00 O ATOM 0 H SER A 20 7.220 9.008 4.001 1.00 0.00 H new ATOM 0 HA SER A 20 5.973 8.451 1.521 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.391 9.161 2.030 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.689 7.500 2.501 1.00 0.00 H new ATOM 0 HG SER A 20 9.089 7.254 0.424 1.00 0.00 H new ATOM 292 N LEU A 21 5.248 6.103 1.585 1.00 0.00 N ATOM 293 CA LEU A 21 4.819 4.716 1.562 1.00 0.00 C ATOM 294 C LEU A 21 5.439 4.012 0.361 1.00 0.00 C ATOM 295 O LEU A 21 5.161 4.360 -0.786 1.00 0.00 O ATOM 296 CB LEU A 21 3.285 4.635 1.496 1.00 0.00 C ATOM 297 CG LEU A 21 2.646 3.330 2.007 1.00 0.00 C ATOM 298 CD1 LEU A 21 3.048 2.131 1.165 1.00 0.00 C ATOM 299 CD2 LEU A 21 3.020 3.090 3.459 1.00 0.00 C ATOM 0 H LEU A 21 4.730 6.716 0.955 1.00 0.00 H new ATOM 0 HA LEU A 21 5.150 4.222 2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.874 5.465 2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.979 4.783 0.460 1.00 0.00 H new ATOM 0 HG LEU A 21 1.565 3.447 1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.574 1.233 1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.727 2.286 0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.131 2.013 1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.561 2.164 3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.104 3.013 3.548 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.665 3.921 4.068 1.00 0.00 H new ATOM 311 N THR A 22 6.274 3.027 0.629 1.00 0.00 N ATOM 312 CA THR A 22 6.883 2.237 -0.424 1.00 0.00 C ATOM 313 C THR A 22 6.736 0.749 -0.134 1.00 0.00 C ATOM 314 O THR A 22 6.862 0.318 1.010 1.00 0.00 O ATOM 315 CB THR A 22 8.376 2.591 -0.605 1.00 0.00 C ATOM 316 OG1 THR A 22 8.980 2.879 0.661 1.00 0.00 O ATOM 317 CG2 THR A 22 8.551 3.781 -1.534 1.00 0.00 C ATOM 0 H THR A 22 6.548 2.753 1.573 1.00 0.00 H new ATOM 0 HA THR A 22 6.361 2.473 -1.351 1.00 0.00 H new ATOM 0 HB THR A 22 8.868 1.727 -1.051 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.393 2.569 1.382 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.612 4.006 -1.641 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.129 3.545 -2.511 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.037 4.647 -1.117 1.00 0.00 H new ATOM 325 N ILE A 23 6.431 -0.024 -1.162 1.00 0.00 N ATOM 326 CA ILE A 23 6.319 -1.466 -1.024 1.00 0.00 C ATOM 327 C ILE A 23 7.189 -2.152 -2.066 1.00 0.00 C ATOM 328 O ILE A 23 7.012 -1.938 -3.266 1.00 0.00 O ATOM 329 CB ILE A 23 4.858 -1.949 -1.164 1.00 0.00 C ATOM 330 CG1 ILE A 23 3.980 -1.313 -0.081 1.00 0.00 C ATOM 331 CG2 ILE A 23 4.787 -3.469 -1.083 1.00 0.00 C ATOM 332 CD1 ILE A 23 2.521 -1.702 -0.165 1.00 0.00 C ATOM 0 H ILE A 23 6.256 0.324 -2.105 1.00 0.00 H new ATOM 0 HA ILE A 23 6.660 -1.729 -0.023 1.00 0.00 H new ATOM 0 HB ILE A 23 4.484 -1.639 -2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.365 -1.597 0.898 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.061 -0.228 -0.153 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.750 -3.791 -1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.382 -3.904 -1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.178 -3.801 -0.121 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.967 -1.211 0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.117 -1.393 -1.129 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.426 -2.783 -0.062 1.00 0.00 H new ATOM 344 N ASN A 24 8.151 -2.942 -1.593 1.00 0.00 N ATOM 345 CA ASN A 24 9.095 -3.651 -2.463 1.00 0.00 C ATOM 346 C ASN A 24 9.924 -2.669 -3.290 1.00 0.00 C ATOM 347 O ASN A 24 10.548 -3.049 -4.278 1.00 0.00 O ATOM 348 CB ASN A 24 8.363 -4.635 -3.394 1.00 0.00 C ATOM 349 CG ASN A 24 7.769 -5.828 -2.661 1.00 0.00 C ATOM 350 OD1 ASN A 24 7.420 -5.744 -1.485 1.00 0.00 O ATOM 351 ND2 ASN A 24 7.643 -6.950 -3.353 1.00 0.00 N ATOM 0 H ASN A 24 8.300 -3.110 -0.598 1.00 0.00 H new ATOM 0 HA ASN A 24 9.767 -4.218 -1.819 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.567 -4.105 -3.917 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.059 -4.993 -4.152 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.246 -7.780 -2.912 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.943 -6.985 -4.327 1.00 0.00 H new ATOM 358 N GLY A 25 9.937 -1.409 -2.874 1.00 0.00 N ATOM 359 CA GLY A 25 10.678 -0.395 -3.595 1.00 0.00 C ATOM 360 C GLY A 25 9.773 0.539 -4.376 1.00 0.00 C ATOM 361 O GLY A 25 10.160 1.663 -4.693 1.00 0.00 O ATOM 0 H GLY A 25 9.445 -1.071 -2.047 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.273 0.186 -2.890 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.376 -0.877 -4.280 1.00 0.00 H new ATOM 365 N LYS A 26 8.564 0.079 -4.667 1.00 0.00 N ATOM 366 CA LYS A 26 7.614 0.846 -5.462 1.00 0.00 C ATOM 367 C LYS A 26 6.779 1.732 -4.540 1.00 0.00 C ATOM 368 O LYS A 26 6.227 1.256 -3.547 1.00 0.00 O ATOM 369 CB LYS A 26 6.722 -0.119 -6.257 1.00 0.00 C ATOM 370 CG LYS A 26 6.204 0.435 -7.581 1.00 0.00 C ATOM 371 CD LYS A 26 5.064 1.425 -7.393 1.00 0.00 C ATOM 372 CE LYS A 26 4.536 1.914 -8.732 1.00 0.00 C ATOM 373 NZ LYS A 26 3.393 2.853 -8.573 1.00 0.00 N ATOM 0 H LYS A 26 8.215 -0.830 -4.361 1.00 0.00 H new ATOM 0 HA LYS A 26 8.144 1.487 -6.167 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.284 -1.031 -6.456 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.870 -0.398 -5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.021 0.924 -8.111 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.865 -0.389 -8.208 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.258 0.953 -6.831 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.409 2.274 -6.803 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.338 2.409 -9.279 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.222 1.060 -9.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.228 3.354 -9.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.539 2.320 -8.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.612 3.543 -7.826 1.00 0.00 H new ATOM 387 N GLU A 27 6.697 3.017 -4.858 1.00 0.00 N ATOM 388 CA GLU A 27 5.996 3.965 -3.999 1.00 0.00 C ATOM 389 C GLU A 27 4.492 3.838 -4.176 1.00 0.00 C ATOM 390 O GLU A 27 4.000 3.661 -5.293 1.00 0.00 O ATOM 391 CB GLU A 27 6.423 5.410 -4.293 1.00 0.00 C ATOM 392 CG GLU A 27 7.803 5.546 -4.914 1.00 0.00 C ATOM 393 CD GLU A 27 7.752 5.494 -6.425 1.00 0.00 C ATOM 394 OE1 GLU A 27 7.544 4.398 -6.984 1.00 0.00 O ATOM 395 OE2 GLU A 27 7.888 6.558 -7.062 1.00 0.00 O ATOM 0 H GLU A 27 7.104 3.426 -5.699 1.00 0.00 H new ATOM 0 HA GLU A 27 6.261 3.726 -2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.691 5.863 -4.962 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.399 5.979 -3.363 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.251 6.488 -4.599 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.447 4.747 -4.545 1.00 0.00 H new ATOM 402 N ILE A 28 3.766 3.932 -3.079 1.00 0.00 N ATOM 403 CA ILE A 28 2.317 3.864 -3.120 1.00 0.00 C ATOM 404 C ILE A 28 1.727 5.254 -2.940 1.00 0.00 C ATOM 405 O ILE A 28 1.966 5.918 -1.929 1.00 0.00 O ATOM 406 CB ILE A 28 1.756 2.907 -2.046 1.00 0.00 C ATOM 407 CG1 ILE A 28 2.285 1.483 -2.274 1.00 0.00 C ATOM 408 CG2 ILE A 28 0.230 2.925 -2.054 1.00 0.00 C ATOM 409 CD1 ILE A 28 1.949 0.917 -3.642 1.00 0.00 C ATOM 0 H ILE A 28 4.157 4.056 -2.145 1.00 0.00 H new ATOM 0 HA ILE A 28 2.031 3.469 -4.095 1.00 0.00 H new ATOM 0 HB ILE A 28 2.093 3.248 -1.067 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.368 1.483 -2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.874 0.826 -1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.146 2.244 -1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.123 3.935 -1.845 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.132 2.609 -3.032 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.355 -0.091 -3.729 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.867 0.884 -3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.384 1.551 -4.415 1.00 0.00 H new ATOM 421 N SER A 29 0.974 5.689 -3.932 1.00 0.00 N ATOM 422 CA SER A 29 0.384 7.013 -3.922 1.00 0.00 C ATOM 423 C SER A 29 -1.034 6.974 -3.368 1.00 0.00 C ATOM 424 O SER A 29 -1.942 6.440 -4.006 1.00 0.00 O ATOM 425 CB SER A 29 0.376 7.576 -5.336 1.00 0.00 C ATOM 426 OG SER A 29 1.645 7.426 -5.952 1.00 0.00 O ATOM 0 H SER A 29 0.755 5.138 -4.762 1.00 0.00 H new ATOM 0 HA SER A 29 0.982 7.656 -3.276 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.383 7.066 -5.930 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.104 8.631 -5.309 1.00 0.00 H new ATOM 0 HG SER A 29 1.613 7.794 -6.860 1.00 0.00 H new ATOM 432 N TYR A 30 -1.220 7.519 -2.174 1.00 0.00 N ATOM 433 CA TYR A 30 -2.550 7.603 -1.592 1.00 0.00 C ATOM 434 C TYR A 30 -3.196 8.940 -1.884 1.00 0.00 C ATOM 435 O TYR A 30 -2.544 9.886 -2.328 1.00 0.00 O ATOM 436 CB TYR A 30 -2.547 7.375 -0.074 1.00 0.00 C ATOM 437 CG TYR A 30 -1.368 7.961 0.675 1.00 0.00 C ATOM 438 CD1 TYR A 30 -1.201 9.336 0.783 1.00 0.00 C ATOM 439 CD2 TYR A 30 -0.436 7.138 1.295 1.00 0.00 C ATOM 440 CE1 TYR A 30 -0.140 9.873 1.484 1.00 0.00 C ATOM 441 CE2 TYR A 30 0.625 7.668 2.004 1.00 0.00 C ATOM 442 CZ TYR A 30 0.769 9.036 2.095 1.00 0.00 C ATOM 443 OH TYR A 30 1.817 9.568 2.811 1.00 0.00 O ATOM 0 H TYR A 30 -0.475 7.906 -1.595 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.127 6.805 -2.058 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.463 7.796 0.340 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.576 6.302 0.114 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.913 9.996 0.310 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.543 6.066 1.222 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.023 10.944 1.553 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.338 7.014 2.484 1.00 0.00 H new ATOM 0 HH TYR A 30 2.522 8.894 2.909 1.00 0.00 H new ATOM 618 N SER A 41 -7.111 4.914 -3.891 1.00 0.00 N ATOM 619 CA SER A 41 -5.725 4.520 -4.002 1.00 0.00 C ATOM 620 C SER A 41 -5.504 3.550 -5.167 1.00 0.00 C ATOM 621 O SER A 41 -4.378 3.115 -5.394 1.00 0.00 O ATOM 622 CB SER A 41 -5.309 3.869 -2.689 1.00 0.00 C ATOM 623 OG SER A 41 -5.650 4.690 -1.582 1.00 0.00 O ATOM 0 HA SER A 41 -5.118 5.403 -4.202 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.796 2.899 -2.590 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.234 3.687 -2.694 1.00 0.00 H new ATOM 0 HG SER A 41 -6.358 5.315 -1.844 1.00 0.00 H new ATOM 629 N ARG A 42 -6.602 3.216 -5.871 1.00 0.00 N ATOM 630 CA ARG A 42 -6.637 2.341 -7.075 1.00 0.00 C ATOM 631 C ARG A 42 -6.079 0.917 -6.870 1.00 0.00 C ATOM 632 O ARG A 42 -6.609 -0.030 -7.447 1.00 0.00 O ATOM 633 CB ARG A 42 -6.005 3.006 -8.321 1.00 0.00 C ATOM 634 CG ARG A 42 -4.551 3.430 -8.190 1.00 0.00 C ATOM 635 CD ARG A 42 -4.003 3.937 -9.512 1.00 0.00 C ATOM 636 NE ARG A 42 -2.736 4.648 -9.348 1.00 0.00 N ATOM 637 CZ ARG A 42 -1.549 4.165 -9.714 1.00 0.00 C ATOM 638 NH1 ARG A 42 -1.436 2.924 -10.173 1.00 0.00 N ATOM 639 NH2 ARG A 42 -0.468 4.923 -9.598 1.00 0.00 N ATOM 0 H ARG A 42 -7.528 3.557 -5.613 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.704 2.214 -7.258 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.086 2.312 -9.158 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.597 3.885 -8.578 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.464 4.211 -7.435 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.953 2.586 -7.846 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.861 3.096 -10.191 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.733 4.601 -9.975 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.762 5.576 -8.925 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.262 2.331 -10.248 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.523 2.564 -10.450 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.547 5.871 -9.230 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.443 4.558 -9.877 1.00 0.00 H new ATOM 653 N TYR A 43 -5.037 0.757 -6.067 1.00 0.00 N ATOM 654 CA TYR A 43 -4.453 -0.560 -5.816 1.00 0.00 C ATOM 655 C TYR A 43 -5.405 -1.454 -5.024 1.00 0.00 C ATOM 656 O TYR A 43 -5.334 -2.678 -5.108 1.00 0.00 O ATOM 657 CB TYR A 43 -3.132 -0.428 -5.051 1.00 0.00 C ATOM 658 CG TYR A 43 -1.957 0.003 -5.900 1.00 0.00 C ATOM 659 CD1 TYR A 43 -1.727 1.343 -6.183 1.00 0.00 C ATOM 660 CD2 TYR A 43 -1.067 -0.936 -6.409 1.00 0.00 C ATOM 661 CE1 TYR A 43 -0.647 1.735 -6.954 1.00 0.00 C ATOM 662 CE2 TYR A 43 0.016 -0.551 -7.178 1.00 0.00 C ATOM 663 CZ TYR A 43 0.222 0.784 -7.447 1.00 0.00 C ATOM 664 OH TYR A 43 1.299 1.169 -8.212 1.00 0.00 O ATOM 0 H TYR A 43 -4.575 1.522 -5.576 1.00 0.00 H new ATOM 0 HA TYR A 43 -4.269 -1.020 -6.787 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.265 0.292 -4.244 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.897 -1.386 -4.588 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.402 2.091 -5.795 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.224 -1.984 -6.200 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.485 2.781 -7.169 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.697 -1.294 -7.566 1.00 0.00 H new ATOM 0 HH TYR A 43 1.811 0.377 -8.478 1.00 0.00 H new ATOM 674 N LEU A 44 -6.293 -0.833 -4.262 1.00 0.00 N ATOM 675 CA LEU A 44 -7.187 -1.568 -3.376 1.00 0.00 C ATOM 676 C LEU A 44 -8.577 -1.705 -3.986 1.00 0.00 C ATOM 677 O LEU A 44 -8.982 -0.889 -4.816 1.00 0.00 O ATOM 678 CB LEU A 44 -7.287 -0.873 -2.009 1.00 0.00 C ATOM 679 CG LEU A 44 -5.995 -0.821 -1.183 1.00 0.00 C ATOM 680 CD1 LEU A 44 -5.296 -2.167 -1.202 1.00 0.00 C ATOM 681 CD2 LEU A 44 -5.068 0.282 -1.677 1.00 0.00 C ATOM 0 H LEU A 44 -6.415 0.179 -4.239 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.769 -2.565 -3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.634 0.148 -2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.050 -1.382 -1.420 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.263 -0.589 -0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.382 -2.111 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.955 -2.925 -0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.048 -2.434 -2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.161 0.294 -1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.806 0.098 -2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.572 1.245 -1.594 1.00 0.00 H new ATOM 693 N PRO A 45 -9.311 -2.761 -3.592 1.00 0.00 N ATOM 694 CA PRO A 45 -10.694 -2.987 -4.032 1.00 0.00 C ATOM 695 C PRO A 45 -11.661 -1.920 -3.510 1.00 0.00 C ATOM 696 O PRO A 45 -11.253 -0.940 -2.883 1.00 0.00 O ATOM 697 CB PRO A 45 -11.054 -4.360 -3.444 1.00 0.00 C ATOM 698 CG PRO A 45 -9.759 -4.975 -3.038 1.00 0.00 C ATOM 699 CD PRO A 45 -8.837 -3.838 -2.709 1.00 0.00 C ATOM 0 HA PRO A 45 -10.775 -2.941 -5.118 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -11.724 -4.257 -2.590 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -11.568 -4.979 -4.180 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.893 -5.629 -2.176 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.350 -5.587 -3.842 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.903 -3.556 -1.658 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.796 -4.093 -2.906 1.00 0.00 H new ATOM 707 N TYR A 46 -12.950 -2.141 -3.743 1.00 0.00 N ATOM 708 CA TYR A 46 -13.989 -1.171 -3.392 1.00 0.00 C ATOM 709 C TYR A 46 -14.401 -1.272 -1.916 1.00 0.00 C ATOM 710 O TYR A 46 -15.582 -1.173 -1.577 1.00 0.00 O ATOM 711 CB TYR A 46 -15.210 -1.362 -4.305 1.00 0.00 C ATOM 712 CG TYR A 46 -15.745 -2.780 -4.358 1.00 0.00 C ATOM 713 CD1 TYR A 46 -15.161 -3.731 -5.185 1.00 0.00 C ATOM 714 CD2 TYR A 46 -16.837 -3.165 -3.587 1.00 0.00 C ATOM 715 CE1 TYR A 46 -15.646 -5.022 -5.243 1.00 0.00 C ATOM 716 CE2 TYR A 46 -17.327 -4.456 -3.640 1.00 0.00 C ATOM 717 CZ TYR A 46 -16.729 -5.378 -4.471 1.00 0.00 C ATOM 718 OH TYR A 46 -17.217 -6.666 -4.527 1.00 0.00 O ATOM 0 H TYR A 46 -13.306 -2.992 -4.178 1.00 0.00 H new ATOM 0 HA TYR A 46 -13.576 -0.173 -3.541 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -16.007 -0.700 -3.967 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -14.944 -1.050 -5.315 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -14.312 -3.455 -5.793 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -17.309 -2.444 -2.937 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -15.178 -5.749 -5.891 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -18.174 -4.741 -3.033 1.00 0.00 H new ATOM 0 HH TYR A 46 -17.982 -6.753 -3.921 1.00 0.00 H new ATOM 728 N THR A 47 -13.422 -1.443 -1.042 1.00 0.00 N ATOM 729 CA THR A 47 -13.677 -1.508 0.389 1.00 0.00 C ATOM 730 C THR A 47 -13.232 -0.207 1.059 1.00 0.00 C ATOM 731 O THR A 47 -12.590 0.637 0.430 1.00 0.00 O ATOM 732 CB THR A 47 -12.935 -2.695 1.028 1.00 0.00 C ATOM 733 OG1 THR A 47 -12.850 -3.776 0.087 1.00 0.00 O ATOM 734 CG2 THR A 47 -13.640 -3.181 2.290 1.00 0.00 C ATOM 0 H THR A 47 -12.440 -1.540 -1.299 1.00 0.00 H new ATOM 0 HA THR A 47 -14.748 -1.648 0.536 1.00 0.00 H new ATOM 0 HB THR A 47 -11.936 -2.356 1.302 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.376 -4.529 0.496 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.089 -4.020 2.715 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.684 -2.370 3.017 1.00 0.00 H new ATOM 0 HG23 THR A 47 -14.652 -3.501 2.041 1.00 0.00 H new ATOM 742 N GLN A 48 -13.573 -0.047 2.327 1.00 0.00 N ATOM 743 CA GLN A 48 -13.213 1.150 3.071 1.00 0.00 C ATOM 744 C GLN A 48 -12.077 0.848 4.042 1.00 0.00 C ATOM 745 O GLN A 48 -12.165 -0.064 4.864 1.00 0.00 O ATOM 746 CB GLN A 48 -14.439 1.713 3.801 1.00 0.00 C ATOM 747 CG GLN A 48 -15.142 0.708 4.699 1.00 0.00 C ATOM 748 CD GLN A 48 -16.494 1.202 5.167 1.00 0.00 C ATOM 749 OE1 GLN A 48 -17.506 0.969 4.514 1.00 0.00 O ATOM 750 NE2 GLN A 48 -16.526 1.883 6.300 1.00 0.00 N ATOM 0 H GLN A 48 -14.101 -0.734 2.865 1.00 0.00 H new ATOM 0 HA GLN A 48 -12.863 1.910 2.372 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -14.130 2.568 4.403 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -15.150 2.084 3.062 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -15.268 -0.231 4.160 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -14.515 0.497 5.565 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -15.663 2.057 6.815 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -17.414 2.235 6.659 1.00 0.00 H new ATOM 759 N TYR A 49 -10.999 1.599 3.910 1.00 0.00 N ATOM 760 CA TYR A 49 -9.820 1.406 4.737 1.00 0.00 C ATOM 761 C TYR A 49 -9.301 2.741 5.250 1.00 0.00 C ATOM 762 O TYR A 49 -8.969 3.631 4.468 1.00 0.00 O ATOM 763 CB TYR A 49 -8.731 0.672 3.943 1.00 0.00 C ATOM 764 CG TYR A 49 -8.676 1.061 2.476 1.00 0.00 C ATOM 765 CD1 TYR A 49 -7.961 2.173 2.051 1.00 0.00 C ATOM 766 CD2 TYR A 49 -9.353 0.315 1.516 1.00 0.00 C ATOM 767 CE1 TYR A 49 -7.928 2.535 0.717 1.00 0.00 C ATOM 768 CE2 TYR A 49 -9.326 0.673 0.182 1.00 0.00 C ATOM 769 CZ TYR A 49 -8.608 1.779 -0.214 1.00 0.00 C ATOM 770 OH TYR A 49 -8.582 2.141 -1.545 1.00 0.00 O ATOM 0 H TYR A 49 -10.915 2.356 3.231 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.095 0.795 5.597 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.762 0.875 4.400 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.901 -0.402 4.019 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.421 2.765 2.775 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.909 -0.560 1.819 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.372 3.407 0.405 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.866 0.088 -0.547 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.864 2.792 -1.693 1.00 0.00 H new ATOM 780 N ASP A 50 -9.244 2.884 6.563 1.00 0.00 N ATOM 781 CA ASP A 50 -8.760 4.121 7.164 1.00 0.00 C ATOM 782 C ASP A 50 -7.372 3.920 7.756 1.00 0.00 C ATOM 783 O ASP A 50 -6.614 4.873 7.930 1.00 0.00 O ATOM 784 CB ASP A 50 -9.732 4.614 8.241 1.00 0.00 C ATOM 785 CG ASP A 50 -9.373 5.990 8.768 1.00 0.00 C ATOM 786 OD1 ASP A 50 -9.575 6.986 8.036 1.00 0.00 O ATOM 787 OD2 ASP A 50 -8.908 6.090 9.924 1.00 0.00 O ATOM 0 H ASP A 50 -9.524 2.166 7.232 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.697 4.878 6.383 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.741 4.639 7.830 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.742 3.904 9.068 1.00 0.00 H new ATOM 792 N SER A 51 -7.029 2.671 8.048 1.00 0.00 N ATOM 793 CA SER A 51 -5.733 2.363 8.620 1.00 0.00 C ATOM 794 C SER A 51 -4.669 2.359 7.528 1.00 0.00 C ATOM 795 O SER A 51 -4.809 1.669 6.515 1.00 0.00 O ATOM 796 CB SER A 51 -5.782 1.007 9.315 1.00 0.00 C ATOM 797 OG SER A 51 -6.907 0.914 10.173 1.00 0.00 O ATOM 0 H SER A 51 -7.631 1.861 7.897 1.00 0.00 H new ATOM 0 HA SER A 51 -5.477 3.126 9.355 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.823 0.214 8.569 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.868 0.856 9.890 1.00 0.00 H new ATOM 0 HG SER A 51 -6.917 0.035 10.605 1.00 0.00 H new ATOM 803 N LEU A 52 -3.614 3.129 7.742 1.00 0.00 N ATOM 804 CA LEU A 52 -2.545 3.263 6.764 1.00 0.00 C ATOM 805 C LEU A 52 -1.825 1.925 6.588 1.00 0.00 C ATOM 806 O LEU A 52 -1.558 1.494 5.465 1.00 0.00 O ATOM 807 CB LEU A 52 -1.571 4.364 7.216 1.00 0.00 C ATOM 808 CG LEU A 52 -0.589 4.891 6.155 1.00 0.00 C ATOM 809 CD1 LEU A 52 0.543 3.908 5.902 1.00 0.00 C ATOM 810 CD2 LEU A 52 -1.317 5.205 4.856 1.00 0.00 C ATOM 0 H LEU A 52 -3.474 3.675 8.592 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.964 3.548 5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.156 5.206 7.587 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.992 3.983 8.057 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.152 5.811 6.543 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.216 4.315 5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.094 3.742 6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.132 2.962 5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.604 5.576 4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.792 4.300 4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.077 5.964 5.039 1.00 0.00 H new ATOM 822 N LEU A 53 -1.534 1.266 7.702 1.00 0.00 N ATOM 823 CA LEU A 53 -0.870 -0.026 7.674 1.00 0.00 C ATOM 824 C LEU A 53 -1.772 -1.088 7.058 1.00 0.00 C ATOM 825 O LEU A 53 -1.298 -1.993 6.369 1.00 0.00 O ATOM 826 CB LEU A 53 -0.455 -0.437 9.087 1.00 0.00 C ATOM 827 CG LEU A 53 1.032 -0.277 9.406 1.00 0.00 C ATOM 828 CD1 LEU A 53 1.871 -1.117 8.454 1.00 0.00 C ATOM 829 CD2 LEU A 53 1.443 1.187 9.336 1.00 0.00 C ATOM 0 H LEU A 53 -1.749 1.608 8.638 1.00 0.00 H new ATOM 0 HA LEU A 53 0.023 0.062 7.055 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.028 0.153 9.802 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.732 -1.480 9.240 1.00 0.00 H new ATOM 0 HG LEU A 53 1.206 -0.629 10.423 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.927 -0.993 8.693 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.597 -2.167 8.557 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.691 -0.794 7.429 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.504 1.278 9.566 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.255 1.570 8.333 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.864 1.762 10.059 1.00 0.00 H new ATOM 841 N ASP A 54 -3.075 -0.960 7.294 1.00 0.00 N ATOM 842 CA ASP A 54 -4.048 -1.894 6.731 1.00 0.00 C ATOM 843 C ASP A 54 -4.062 -1.748 5.217 1.00 0.00 C ATOM 844 O ASP A 54 -4.104 -2.734 4.487 1.00 0.00 O ATOM 845 CB ASP A 54 -5.452 -1.629 7.288 1.00 0.00 C ATOM 846 CG ASP A 54 -6.285 -2.894 7.420 1.00 0.00 C ATOM 847 OD1 ASP A 54 -5.871 -3.953 6.907 1.00 0.00 O ATOM 848 OD2 ASP A 54 -7.364 -2.829 8.052 1.00 0.00 O ATOM 0 H ASP A 54 -3.481 -0.222 7.869 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.759 -2.908 7.007 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.366 -1.153 8.265 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.969 -0.926 6.635 1.00 0.00 H new ATOM 853 N LEU A 55 -4.000 -0.502 4.766 1.00 0.00 N ATOM 854 CA LEU A 55 -3.949 -0.184 3.344 1.00 0.00 C ATOM 855 C LEU A 55 -2.713 -0.822 2.706 1.00 0.00 C ATOM 856 O LEU A 55 -2.811 -1.503 1.684 1.00 0.00 O ATOM 857 CB LEU A 55 -3.935 1.347 3.170 1.00 0.00 C ATOM 858 CG LEU A 55 -4.051 1.883 1.734 1.00 0.00 C ATOM 859 CD1 LEU A 55 -4.548 3.321 1.754 1.00 0.00 C ATOM 860 CD2 LEU A 55 -2.713 1.822 1.010 1.00 0.00 C ATOM 0 H LEU A 55 -3.984 0.316 5.375 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.829 -0.587 2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.755 1.763 3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.010 1.729 3.602 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.762 1.253 1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.627 3.693 0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.527 3.361 2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.846 3.941 2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.829 2.208 -0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.981 2.426 1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.369 0.788 0.967 1.00 0.00 H new ATOM 872 N ALA A 56 -1.559 -0.607 3.332 1.00 0.00 N ATOM 873 CA ALA A 56 -0.291 -1.137 2.836 1.00 0.00 C ATOM 874 C ALA A 56 -0.324 -2.660 2.741 1.00 0.00 C ATOM 875 O ALA A 56 0.100 -3.239 1.740 1.00 0.00 O ATOM 876 CB ALA A 56 0.857 -0.689 3.733 1.00 0.00 C ATOM 0 H ALA A 56 -1.476 -0.064 4.192 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.133 -0.742 1.833 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.795 -1.091 3.351 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.907 0.400 3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.691 -1.055 4.746 1.00 0.00 H new ATOM 882 N ARG A 57 -0.834 -3.303 3.783 1.00 0.00 N ATOM 883 CA ARG A 57 -0.924 -4.759 3.807 1.00 0.00 C ATOM 884 C ARG A 57 -1.919 -5.258 2.778 1.00 0.00 C ATOM 885 O ARG A 57 -1.681 -6.268 2.123 1.00 0.00 O ATOM 886 CB ARG A 57 -1.323 -5.258 5.192 1.00 0.00 C ATOM 887 CG ARG A 57 -0.272 -4.993 6.251 1.00 0.00 C ATOM 888 CD ARG A 57 -0.751 -5.429 7.620 1.00 0.00 C ATOM 889 NE ARG A 57 0.261 -5.209 8.647 1.00 0.00 N ATOM 890 CZ ARG A 57 0.002 -4.711 9.849 1.00 0.00 C ATOM 891 NH1 ARG A 57 -1.238 -4.344 10.165 1.00 0.00 N ATOM 892 NH2 ARG A 57 0.990 -4.561 10.721 1.00 0.00 N ATOM 0 H ARG A 57 -1.191 -2.843 4.620 1.00 0.00 H new ATOM 0 HA ARG A 57 0.062 -5.153 3.562 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.256 -4.779 5.488 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.517 -6.330 5.143 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.645 -5.524 5.998 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.030 -3.930 6.269 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.656 -4.880 7.879 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.016 -6.486 7.592 1.00 0.00 H new ATOM 0 HE ARG A 57 1.227 -5.453 8.428 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.989 -4.446 9.483 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.437 -3.961 11.089 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.941 -4.828 10.465 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.799 -4.179 11.647 1.00 0.00 H new ATOM 906 N ALA A 58 -3.028 -4.545 2.635 1.00 0.00 N ATOM 907 CA ALA A 58 -4.064 -4.921 1.688 1.00 0.00 C ATOM 908 C ALA A 58 -3.513 -4.959 0.269 1.00 0.00 C ATOM 909 O ALA A 58 -3.922 -5.791 -0.538 1.00 0.00 O ATOM 910 CB ALA A 58 -5.243 -3.967 1.777 1.00 0.00 C ATOM 0 H ALA A 58 -3.232 -3.699 3.167 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.411 -5.922 1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.008 -4.266 1.060 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.659 -3.996 2.784 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.909 -2.954 1.551 1.00 0.00 H new ATOM 916 N ILE A 59 -2.575 -4.067 -0.028 1.00 0.00 N ATOM 917 CA ILE A 59 -1.954 -4.037 -1.342 1.00 0.00 C ATOM 918 C ILE A 59 -1.198 -5.338 -1.606 1.00 0.00 C ATOM 919 O ILE A 59 -1.424 -5.992 -2.617 1.00 0.00 O ATOM 920 CB ILE A 59 -0.988 -2.843 -1.485 1.00 0.00 C ATOM 921 CG1 ILE A 59 -1.743 -1.524 -1.303 1.00 0.00 C ATOM 922 CG2 ILE A 59 -0.295 -2.877 -2.841 1.00 0.00 C ATOM 923 CD1 ILE A 59 -0.851 -0.303 -1.307 1.00 0.00 C ATOM 0 H ILE A 59 -2.231 -3.359 0.621 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.752 -3.924 -2.076 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.227 -2.918 -0.708 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.481 -1.426 -2.099 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.292 -1.558 -0.362 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.383 -2.027 -2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.271 -3.804 -2.937 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.042 -2.824 -3.633 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.459 0.592 -1.173 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.130 -0.377 -0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.321 -0.243 -2.257 1.00 0.00 H new ATOM 935 N ILE A 60 -0.343 -5.735 -0.672 1.00 0.00 N ATOM 936 CA ILE A 60 0.411 -6.980 -0.805 1.00 0.00 C ATOM 937 C ILE A 60 -0.550 -8.165 -0.801 1.00 0.00 C ATOM 938 O ILE A 60 -0.388 -9.131 -1.541 1.00 0.00 O ATOM 939 CB ILE A 60 1.454 -7.140 0.327 1.00 0.00 C ATOM 940 CG1 ILE A 60 2.398 -5.936 0.343 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.240 -8.427 0.145 1.00 0.00 C ATOM 942 CD1 ILE A 60 3.383 -5.950 1.490 1.00 0.00 C ATOM 0 H ILE A 60 -0.153 -5.216 0.185 1.00 0.00 H new ATOM 0 HA ILE A 60 0.952 -6.948 -1.751 1.00 0.00 H new ATOM 0 HB ILE A 60 0.931 -7.189 1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.949 -5.905 -0.597 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.806 -5.022 0.395 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.969 -8.525 0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.558 -9.277 0.169 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.758 -8.405 -0.814 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.018 -5.066 1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.841 -5.949 2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.001 -6.845 1.428 1.00 0.00 H new ATOM 954 N ARG A 61 -1.559 -8.048 0.042 1.00 0.00 N ATOM 955 CA ARG A 61 -2.588 -9.064 0.210 1.00 0.00 C ATOM 956 C ARG A 61 -3.325 -9.365 -1.097 1.00 0.00 C ATOM 957 O ARG A 61 -3.555 -10.526 -1.431 1.00 0.00 O ATOM 958 CB ARG A 61 -3.573 -8.555 1.258 1.00 0.00 C ATOM 959 CG ARG A 61 -4.804 -9.414 1.476 1.00 0.00 C ATOM 960 CD ARG A 61 -5.869 -8.600 2.188 1.00 0.00 C ATOM 961 NE ARG A 61 -7.024 -9.393 2.593 1.00 0.00 N ATOM 962 CZ ARG A 61 -8.266 -9.145 2.189 1.00 0.00 C ATOM 963 NH1 ARG A 61 -8.494 -8.283 1.204 1.00 0.00 N ATOM 964 NH2 ARG A 61 -9.278 -9.803 2.734 1.00 0.00 N ATOM 0 H ARG A 61 -1.691 -7.232 0.640 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.119 -9.996 0.525 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.047 -8.459 2.208 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.897 -7.555 0.970 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.184 -9.773 0.520 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.547 -10.293 2.067 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.431 -8.132 3.070 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.201 -7.795 1.532 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.870 -10.182 3.221 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.713 -7.806 0.752 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.450 -8.098 0.899 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.103 -10.497 3.461 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.233 -9.616 2.427 1.00 0.00 H new ATOM 978 N ASP A 62 -3.679 -8.323 -1.841 1.00 0.00 N ATOM 979 CA ASP A 62 -4.533 -8.493 -3.013 1.00 0.00 C ATOM 980 C ASP A 62 -3.772 -8.382 -4.333 1.00 0.00 C ATOM 981 O ASP A 62 -4.366 -8.516 -5.403 1.00 0.00 O ATOM 982 CB ASP A 62 -5.693 -7.491 -2.985 1.00 0.00 C ATOM 983 CG ASP A 62 -6.864 -7.984 -2.151 1.00 0.00 C ATOM 984 OD1 ASP A 62 -7.735 -8.694 -2.709 1.00 0.00 O ATOM 985 OD2 ASP A 62 -6.921 -7.673 -0.942 1.00 0.00 O ATOM 0 H ASP A 62 -3.392 -7.361 -1.657 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.926 -9.508 -2.961 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.339 -6.541 -2.584 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.030 -7.301 -4.004 1.00 0.00 H new ATOM 990 N THR A 63 -2.471 -8.144 -4.274 1.00 0.00 N ATOM 991 CA THR A 63 -1.659 -8.158 -5.487 1.00 0.00 C ATOM 992 C THR A 63 -0.569 -9.215 -5.373 1.00 0.00 C ATOM 993 O THR A 63 0.199 -9.236 -4.411 1.00 0.00 O ATOM 994 CB THR A 63 -1.025 -6.786 -5.810 1.00 0.00 C ATOM 995 OG1 THR A 63 -0.124 -6.397 -4.773 1.00 0.00 O ATOM 996 CG2 THR A 63 -2.095 -5.718 -5.986 1.00 0.00 C ATOM 0 H THR A 63 -1.959 -7.942 -3.416 1.00 0.00 H new ATOM 0 HA THR A 63 -2.332 -8.398 -6.310 1.00 0.00 H new ATOM 0 HB THR A 63 -0.475 -6.885 -6.746 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.627 -5.984 -4.040 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.622 -4.763 -6.212 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.757 -5.998 -6.805 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.673 -5.627 -5.067 1.00 0.00 H new ATOM 1004 N VAL A 64 -0.505 -10.093 -6.361 1.00 0.00 N ATOM 1005 CA VAL A 64 0.387 -11.238 -6.299 1.00 0.00 C ATOM 1006 C VAL A 64 1.854 -10.835 -6.445 1.00 0.00 C ATOM 1007 O VAL A 64 2.732 -11.460 -5.857 1.00 0.00 O ATOM 1008 CB VAL A 64 0.030 -12.290 -7.371 1.00 0.00 C ATOM 1009 CG1 VAL A 64 -1.391 -12.781 -7.168 1.00 0.00 C ATOM 1010 CG2 VAL A 64 0.207 -11.734 -8.776 1.00 0.00 C ATOM 0 H VAL A 64 -1.060 -10.034 -7.215 1.00 0.00 H new ATOM 0 HA VAL A 64 0.251 -11.678 -5.311 1.00 0.00 H new ATOM 0 HB VAL A 64 0.715 -13.131 -7.260 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.632 -13.523 -7.930 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.482 -13.233 -6.180 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.081 -11.941 -7.248 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.053 -12.501 -9.506 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.444 -10.870 -8.910 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.245 -11.433 -8.920 1.00 0.00 H new ATOM 1020 N GLU A 65 2.109 -9.769 -7.194 1.00 0.00 N ATOM 1021 CA GLU A 65 3.476 -9.381 -7.526 1.00 0.00 C ATOM 1022 C GLU A 65 4.215 -8.736 -6.357 1.00 0.00 C ATOM 1023 O GLU A 65 5.442 -8.642 -6.380 1.00 0.00 O ATOM 1024 CB GLU A 65 3.496 -8.459 -8.744 1.00 0.00 C ATOM 1025 CG GLU A 65 3.508 -9.224 -10.056 1.00 0.00 C ATOM 1026 CD GLU A 65 4.665 -10.202 -10.120 1.00 0.00 C ATOM 1027 OE1 GLU A 65 5.801 -9.766 -10.405 1.00 0.00 O ATOM 1028 OE2 GLU A 65 4.454 -11.407 -9.861 1.00 0.00 O ATOM 0 H GLU A 65 1.390 -9.159 -7.582 1.00 0.00 H new ATOM 0 HA GLU A 65 4.008 -10.302 -7.764 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.623 -7.807 -8.716 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.375 -7.817 -8.694 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.568 -9.763 -10.172 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.578 -8.522 -10.887 1.00 0.00 H new ATOM 1035 N PHE A 66 3.487 -8.303 -5.339 1.00 0.00 N ATOM 1036 CA PHE A 66 4.128 -7.740 -4.161 1.00 0.00 C ATOM 1037 C PHE A 66 4.365 -8.818 -3.113 1.00 0.00 C ATOM 1038 O PHE A 66 5.116 -8.616 -2.163 1.00 0.00 O ATOM 1039 CB PHE A 66 3.314 -6.579 -3.588 1.00 0.00 C ATOM 1040 CG PHE A 66 3.443 -5.313 -4.397 1.00 0.00 C ATOM 1041 CD1 PHE A 66 4.636 -4.606 -4.414 1.00 0.00 C ATOM 1042 CD2 PHE A 66 2.376 -4.829 -5.138 1.00 0.00 C ATOM 1043 CE1 PHE A 66 4.762 -3.442 -5.151 1.00 0.00 C ATOM 1044 CE2 PHE A 66 2.496 -3.666 -5.877 1.00 0.00 C ATOM 1045 CZ PHE A 66 3.690 -2.972 -5.884 1.00 0.00 C ATOM 0 H PHE A 66 2.468 -8.329 -5.304 1.00 0.00 H new ATOM 0 HA PHE A 66 5.097 -7.341 -4.461 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.264 -6.868 -3.540 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.638 -6.385 -2.566 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.478 -4.969 -3.844 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.439 -5.367 -5.138 1.00 0.00 H new ATOM 0 HE1 PHE A 66 5.697 -2.902 -5.153 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.656 -3.301 -6.449 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.785 -2.064 -6.461 1.00 0.00 H new ATOM 1055 N SER A 67 3.739 -9.974 -3.298 1.00 0.00 N ATOM 1056 CA SER A 67 3.962 -11.106 -2.414 1.00 0.00 C ATOM 1057 C SER A 67 5.215 -11.860 -2.850 1.00 0.00 C ATOM 1058 O SER A 67 5.445 -12.059 -4.045 1.00 0.00 O ATOM 1059 CB SER A 67 2.752 -12.033 -2.432 1.00 0.00 C ATOM 1060 OG SER A 67 1.565 -11.327 -2.111 1.00 0.00 O ATOM 0 H SER A 67 3.074 -10.150 -4.052 1.00 0.00 H new ATOM 0 HA SER A 67 4.104 -10.743 -1.396 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.653 -12.488 -3.417 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.901 -12.844 -1.719 1.00 0.00 H new ATOM 0 HG SER A 67 0.803 -11.943 -2.131 1.00 0.00 H new