USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 727 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 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -2.35! C(o=-2.4!,f=-2.5!) USER MOD Single : A 43 MET CE :methyl 139:sc= -0.134 (180deg=-0.718) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 117:sc= 0.934 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.53! C(o=-2.5!,f=-4.8!) USER MOD Single : A 66 SER OG : rot 59:sc= 0.741 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 68:sc= 1.64 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -14.7! C(o=-15!,f=-11!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 38:sc= -17.2! USER MOD Single : A 111 THR OG1 : rot 180:sc= -1 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc=0.000347 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc=-0.000923 USER MOD Single : A 126 SER OG : rot 153:sc= -2.13! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 35 -4.017 -17.902 -12.210 1.00 0.00 N ATOM 2 CA SER A 35 -4.612 -16.866 -11.317 1.00 0.00 C ATOM 3 C SER A 35 -3.782 -16.742 -10.035 1.00 0.00 C ATOM 4 O SER A 35 -4.114 -17.307 -9.012 1.00 0.00 O ATOM 5 CB SER A 35 -6.016 -17.379 -11.000 1.00 0.00 C ATOM 6 OG SER A 35 -6.782 -16.329 -10.426 1.00 0.00 O ATOM 0 HA SER A 35 -4.635 -15.879 -11.780 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.497 -17.741 -11.909 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.961 -18.222 -10.312 1.00 0.00 H new ATOM 0 HG SER A 35 -7.684 -16.655 -10.223 1.00 0.00 H new ATOM 12 N ASN A 36 -2.703 -16.010 -10.086 1.00 0.00 N ATOM 13 CA ASN A 36 -1.850 -15.853 -8.874 1.00 0.00 C ATOM 14 C ASN A 36 -1.008 -14.577 -8.980 1.00 0.00 C ATOM 15 O ASN A 36 -1.429 -13.513 -8.573 1.00 0.00 O ATOM 16 CB ASN A 36 -0.951 -17.091 -8.860 1.00 0.00 C ATOM 17 CG ASN A 36 -1.735 -18.289 -8.323 1.00 0.00 C ATOM 18 OD1 ASN A 36 -2.235 -18.256 -7.215 1.00 0.00 O ATOM 19 ND2 ASN A 36 -1.863 -19.355 -9.064 1.00 0.00 N ATOM 0 H ASN A 36 -2.375 -15.514 -10.915 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.440 -15.768 -7.962 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.590 -17.302 -9.867 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -0.074 -16.909 -8.238 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.382 -20.160 -8.714 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.444 -19.383 -9.993 1.00 0.00 H new ATOM 26 N ALA A 37 0.181 -14.682 -9.518 1.00 0.00 N ATOM 27 CA ALA A 37 1.061 -13.492 -9.649 1.00 0.00 C ATOM 28 C ALA A 37 0.239 -12.245 -9.989 1.00 0.00 C ATOM 29 O ALA A 37 -0.395 -12.171 -11.022 1.00 0.00 O ATOM 30 CB ALA A 37 2.015 -13.832 -10.794 1.00 0.00 C ATOM 0 H ALA A 37 0.579 -15.551 -9.874 1.00 0.00 H new ATOM 0 HA ALA A 37 1.591 -13.272 -8.722 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.701 -13.000 -10.955 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.583 -14.727 -10.541 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.442 -14.011 -11.704 1.00 0.00 H new ATOM 36 N VAL A 38 0.247 -11.263 -9.129 1.00 0.00 N ATOM 37 CA VAL A 38 -0.533 -10.026 -9.409 1.00 0.00 C ATOM 38 C VAL A 38 0.404 -8.916 -9.885 1.00 0.00 C ATOM 39 O VAL A 38 1.610 -9.066 -9.878 1.00 0.00 O ATOM 40 CB VAL A 38 -1.179 -9.649 -8.076 1.00 0.00 C ATOM 41 CG1 VAL A 38 -2.218 -10.705 -7.694 1.00 0.00 C ATOM 42 CG2 VAL A 38 -0.104 -9.577 -6.990 1.00 0.00 C ATOM 0 H VAL A 38 0.759 -11.264 -8.247 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.278 -10.174 -10.190 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.666 -8.678 -8.171 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.678 -10.435 -6.743 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.985 -10.757 -8.467 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.732 -11.676 -7.599 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.565 -9.308 -6.039 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.383 -10.547 -6.896 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.636 -8.824 -7.260 1.00 0.00 H new ATOM 52 N VAL A 39 -0.136 -7.803 -10.296 1.00 0.00 N ATOM 53 CA VAL A 39 0.740 -6.692 -10.767 1.00 0.00 C ATOM 54 C VAL A 39 0.248 -5.349 -10.243 1.00 0.00 C ATOM 55 O VAL A 39 -0.937 -5.100 -10.136 1.00 0.00 O ATOM 56 CB VAL A 39 0.642 -6.702 -12.295 1.00 0.00 C ATOM 57 CG1 VAL A 39 -0.823 -6.564 -12.715 1.00 0.00 C ATOM 58 CG2 VAL A 39 1.434 -5.516 -12.861 1.00 0.00 C ATOM 0 H VAL A 39 -1.138 -7.614 -10.327 1.00 0.00 H new ATOM 0 HA VAL A 39 1.762 -6.828 -10.413 1.00 0.00 H new ATOM 0 HB VAL A 39 1.048 -7.639 -12.677 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.892 -6.571 -13.803 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.398 -7.397 -12.310 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.224 -5.626 -12.332 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.367 -5.520 -13.949 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.020 -4.585 -12.475 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.479 -5.600 -12.562 1.00 0.00 H new ATOM 68 N LEU A 40 1.157 -4.466 -9.962 1.00 0.00 N ATOM 69 CA LEU A 40 0.772 -3.113 -9.499 1.00 0.00 C ATOM 70 C LEU A 40 1.153 -2.138 -10.608 1.00 0.00 C ATOM 71 O LEU A 40 2.213 -2.249 -11.193 1.00 0.00 O ATOM 72 CB LEU A 40 1.609 -2.855 -8.243 1.00 0.00 C ATOM 73 CG LEU A 40 1.683 -1.351 -7.973 1.00 0.00 C ATOM 74 CD1 LEU A 40 0.338 -0.861 -7.432 1.00 0.00 C ATOM 75 CD2 LEU A 40 2.781 -1.073 -6.947 1.00 0.00 C ATOM 0 H LEU A 40 2.162 -4.627 -10.034 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.290 -3.007 -9.278 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.167 -3.366 -7.388 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.612 -3.261 -8.373 1.00 0.00 H new ATOM 0 HG LEU A 40 1.911 -0.825 -8.900 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.392 0.211 -7.240 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.443 -1.059 -8.166 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.106 -1.385 -6.505 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.835 -0.002 -6.753 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.554 -1.598 -6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.738 -1.420 -7.335 1.00 0.00 H new ATOM 87 N VAL A 41 0.322 -1.195 -10.920 1.00 0.00 N ATOM 88 CA VAL A 41 0.692 -0.253 -12.009 1.00 0.00 C ATOM 89 C VAL A 41 0.422 1.185 -11.601 1.00 0.00 C ATOM 90 O VAL A 41 -0.686 1.546 -11.256 1.00 0.00 O ATOM 91 CB VAL A 41 -0.188 -0.630 -13.198 1.00 0.00 C ATOM 92 CG1 VAL A 41 0.033 0.375 -14.313 1.00 0.00 C ATOM 93 CG2 VAL A 41 0.180 -2.035 -13.684 1.00 0.00 C ATOM 0 H VAL A 41 -0.584 -1.033 -10.480 1.00 0.00 H new ATOM 0 HA VAL A 41 1.754 -0.323 -12.244 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.237 -0.621 -12.900 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.592 0.114 -15.167 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.231 1.372 -13.962 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.081 0.362 -14.612 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.449 -2.303 -14.533 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.227 -2.052 -13.988 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.025 -2.751 -12.877 1.00 0.00 H new ATOM 103 N LEU A 42 1.420 2.017 -11.662 1.00 0.00 N ATOM 104 CA LEU A 42 1.213 3.429 -11.311 1.00 0.00 C ATOM 105 C LEU A 42 1.843 4.321 -12.379 1.00 0.00 C ATOM 106 O LEU A 42 2.423 3.844 -13.333 1.00 0.00 O ATOM 107 CB LEU A 42 1.884 3.629 -9.956 1.00 0.00 C ATOM 108 CG LEU A 42 0.925 3.195 -8.851 1.00 0.00 C ATOM 109 CD1 LEU A 42 1.587 3.398 -7.489 1.00 0.00 C ATOM 110 CD2 LEU A 42 -0.347 4.040 -8.932 1.00 0.00 C ATOM 0 H LEU A 42 2.370 1.771 -11.942 1.00 0.00 H new ATOM 0 HA LEU A 42 0.156 3.690 -11.258 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.805 3.048 -9.904 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.160 4.675 -9.824 1.00 0.00 H new ATOM 0 HG LEU A 42 0.675 2.141 -8.975 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.901 3.088 -6.701 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.497 2.800 -7.434 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.836 4.451 -7.359 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.037 3.735 -8.145 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.093 5.092 -8.805 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.819 3.895 -9.904 1.00 0.00 H new ATOM 122 N MET A 43 1.731 5.609 -12.235 1.00 0.00 N ATOM 123 CA MET A 43 2.326 6.517 -13.258 1.00 0.00 C ATOM 124 C MET A 43 3.778 6.835 -12.899 1.00 0.00 C ATOM 125 O MET A 43 4.259 6.487 -11.842 1.00 0.00 O ATOM 126 CB MET A 43 1.457 7.779 -13.229 1.00 0.00 C ATOM 127 CG MET A 43 1.872 8.677 -12.061 1.00 0.00 C ATOM 128 SD MET A 43 2.806 10.092 -12.693 1.00 0.00 S ATOM 129 CE MET A 43 1.423 10.933 -13.501 1.00 0.00 C ATOM 0 H MET A 43 1.257 6.073 -11.460 1.00 0.00 H new ATOM 0 HA MET A 43 2.343 6.070 -14.252 1.00 0.00 H new ATOM 0 HB2 MET A 43 1.559 8.322 -14.169 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.407 7.504 -13.131 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.990 9.021 -11.521 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.479 8.114 -11.353 1.00 0.00 H new ATOM 0 HE1 MET A 43 1.496 12.006 -13.324 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.456 10.739 -14.573 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.483 10.561 -13.094 1.00 0.00 H new ATOM 139 N LYS A 44 4.481 7.490 -13.776 1.00 0.00 N ATOM 140 CA LYS A 44 5.902 7.822 -13.487 1.00 0.00 C ATOM 141 C LYS A 44 5.987 8.852 -12.359 1.00 0.00 C ATOM 142 O LYS A 44 6.117 10.036 -12.601 1.00 0.00 O ATOM 143 CB LYS A 44 6.439 8.411 -14.791 1.00 0.00 C ATOM 144 CG LYS A 44 7.373 7.404 -15.463 1.00 0.00 C ATOM 145 CD LYS A 44 8.686 8.097 -15.832 1.00 0.00 C ATOM 146 CE LYS A 44 9.865 7.228 -15.388 1.00 0.00 C ATOM 147 NZ LYS A 44 11.021 8.164 -15.303 1.00 0.00 N ATOM 0 H LYS A 44 4.134 7.810 -14.680 1.00 0.00 H new ATOM 0 HA LYS A 44 6.473 6.952 -13.164 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.613 8.657 -15.458 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.973 9.339 -14.589 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.567 6.567 -14.792 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.902 6.994 -16.356 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.730 8.266 -16.908 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.741 9.075 -15.353 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.667 6.756 -14.426 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.057 6.427 -16.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.869 7.642 -15.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.190 8.593 -16.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.812 8.911 -14.611 1.00 0.00 H new ATOM 161 N SER A 45 5.927 8.420 -11.127 1.00 0.00 N ATOM 162 CA SER A 45 6.019 9.397 -10.005 1.00 0.00 C ATOM 163 C SER A 45 7.288 10.234 -10.170 1.00 0.00 C ATOM 164 O SER A 45 7.262 11.323 -10.709 1.00 0.00 O ATOM 165 CB SER A 45 6.094 8.547 -8.738 1.00 0.00 C ATOM 166 OG SER A 45 4.796 8.063 -8.418 1.00 0.00 O ATOM 0 H SER A 45 5.819 7.444 -10.852 1.00 0.00 H new ATOM 0 HA SER A 45 5.174 10.084 -9.973 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.779 7.712 -8.887 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.487 9.139 -7.912 1.00 0.00 H new ATOM 0 HG SER A 45 4.789 7.084 -8.472 1.00 0.00 H new ATOM 172 N ASP A 46 8.400 9.724 -9.724 1.00 0.00 N ATOM 173 CA ASP A 46 9.677 10.477 -9.866 1.00 0.00 C ATOM 174 C ASP A 46 10.866 9.513 -9.776 1.00 0.00 C ATOM 175 O ASP A 46 11.397 9.074 -10.777 1.00 0.00 O ATOM 176 CB ASP A 46 9.705 11.488 -8.709 1.00 0.00 C ATOM 177 CG ASP A 46 8.998 10.912 -7.475 1.00 0.00 C ATOM 178 OD1 ASP A 46 9.035 9.704 -7.306 1.00 0.00 O ATOM 179 OD2 ASP A 46 8.435 11.689 -6.723 1.00 0.00 O ATOM 0 H ASP A 46 8.481 8.816 -9.266 1.00 0.00 H new ATOM 0 HA ASP A 46 9.745 10.983 -10.829 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.737 11.737 -8.461 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.218 12.414 -9.015 1.00 0.00 H new ATOM 184 N GLU A 47 11.283 9.183 -8.588 1.00 0.00 N ATOM 185 CA GLU A 47 12.433 8.249 -8.428 1.00 0.00 C ATOM 186 C GLU A 47 11.925 6.828 -8.191 1.00 0.00 C ATOM 187 O GLU A 47 12.476 6.095 -7.404 1.00 0.00 O ATOM 188 CB GLU A 47 13.187 8.762 -7.199 1.00 0.00 C ATOM 189 CG GLU A 47 13.260 10.285 -7.246 1.00 0.00 C ATOM 190 CD GLU A 47 14.680 10.745 -6.915 1.00 0.00 C ATOM 191 OE1 GLU A 47 15.044 10.688 -5.752 1.00 0.00 O ATOM 192 OE2 GLU A 47 15.380 11.147 -7.829 1.00 0.00 O ATOM 0 H GLU A 47 10.876 9.521 -7.716 1.00 0.00 H new ATOM 0 HA GLU A 47 13.069 8.216 -9.313 1.00 0.00 H new ATOM 0 HB2 GLU A 47 12.682 8.439 -6.288 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.192 8.340 -7.173 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.973 10.642 -8.235 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.554 10.714 -6.535 1.00 0.00 H new ATOM 199 N ILE A 48 10.872 6.438 -8.853 1.00 0.00 N ATOM 200 CA ILE A 48 10.324 5.083 -8.650 1.00 0.00 C ATOM 201 C ILE A 48 11.420 4.043 -8.640 1.00 0.00 C ATOM 202 O ILE A 48 11.629 3.354 -7.664 1.00 0.00 O ATOM 203 CB ILE A 48 9.342 4.861 -9.766 1.00 0.00 C ATOM 204 CG1 ILE A 48 9.723 5.611 -11.044 1.00 0.00 C ATOM 205 CG2 ILE A 48 7.992 5.345 -9.261 1.00 0.00 C ATOM 206 CD1 ILE A 48 8.770 6.781 -11.221 1.00 0.00 C ATOM 0 H ILE A 48 10.368 7.010 -9.530 1.00 0.00 H new ATOM 0 HA ILE A 48 9.832 4.992 -7.681 1.00 0.00 H new ATOM 0 HB ILE A 48 9.326 3.804 -10.031 1.00 0.00 H new ATOM 0 HG12 ILE A 48 10.751 5.967 -10.982 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.668 4.944 -11.905 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.241 5.205 -10.038 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.709 4.775 -8.376 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.057 6.403 -9.006 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.028 7.327 -12.129 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.748 6.409 -11.299 1.00 0.00 H new ATOM 0 HD13 ILE A 48 8.849 7.448 -10.362 1.00 0.00 H new ATOM 218 N ASP A 49 12.135 3.924 -9.697 1.00 0.00 N ATOM 219 CA ASP A 49 13.231 2.920 -9.699 1.00 0.00 C ATOM 220 C ASP A 49 14.035 3.071 -8.404 1.00 0.00 C ATOM 221 O ASP A 49 14.359 2.106 -7.735 1.00 0.00 O ATOM 222 CB ASP A 49 14.091 3.256 -10.919 1.00 0.00 C ATOM 223 CG ASP A 49 13.622 2.433 -12.119 1.00 0.00 C ATOM 224 OD1 ASP A 49 13.389 1.247 -11.946 1.00 0.00 O ATOM 225 OD2 ASP A 49 13.504 3.000 -13.193 1.00 0.00 O ATOM 0 H ASP A 49 12.022 4.464 -10.555 1.00 0.00 H new ATOM 0 HA ASP A 49 12.870 1.893 -9.750 1.00 0.00 H new ATOM 0 HB2 ASP A 49 14.020 4.320 -11.145 1.00 0.00 H new ATOM 0 HB3 ASP A 49 15.139 3.044 -10.707 1.00 0.00 H new ATOM 230 N ALA A 50 14.334 4.287 -8.038 1.00 0.00 N ATOM 231 CA ALA A 50 15.100 4.531 -6.785 1.00 0.00 C ATOM 232 C ALA A 50 14.241 4.243 -5.559 1.00 0.00 C ATOM 233 O ALA A 50 14.674 3.576 -4.640 1.00 0.00 O ATOM 234 CB ALA A 50 15.488 6.008 -6.837 1.00 0.00 C ATOM 0 H ALA A 50 14.078 5.127 -8.557 1.00 0.00 H new ATOM 0 HA ALA A 50 15.972 3.881 -6.709 1.00 0.00 H new ATOM 0 HB1 ALA A 50 16.058 6.266 -5.944 1.00 0.00 H new ATOM 0 HB2 ALA A 50 16.097 6.193 -7.722 1.00 0.00 H new ATOM 0 HB3 ALA A 50 14.587 6.620 -6.882 1.00 0.00 H new ATOM 240 N ILE A 51 13.032 4.728 -5.516 1.00 0.00 N ATOM 241 CA ILE A 51 12.202 4.462 -4.350 1.00 0.00 C ATOM 242 C ILE A 51 11.703 3.024 -4.381 1.00 0.00 C ATOM 243 O ILE A 51 11.870 2.326 -3.432 1.00 0.00 O ATOM 244 CB ILE A 51 11.092 5.474 -4.453 1.00 0.00 C ATOM 245 CG1 ILE A 51 10.306 5.270 -5.727 1.00 0.00 C ATOM 246 CG2 ILE A 51 11.695 6.881 -4.440 1.00 0.00 C ATOM 247 CD1 ILE A 51 9.711 6.607 -6.195 1.00 0.00 C ATOM 0 H ILE A 51 12.599 5.294 -6.245 1.00 0.00 H new ATOM 0 HA ILE A 51 12.730 4.558 -3.401 1.00 0.00 H new ATOM 0 HB ILE A 51 10.417 5.350 -3.606 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.953 4.859 -6.502 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.509 4.546 -5.560 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.897 7.620 -4.514 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.245 7.033 -3.511 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.374 6.994 -5.285 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.146 6.452 -7.114 1.00 0.00 H new ATOM 0 HD12 ILE A 51 9.049 7.000 -5.424 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.516 7.319 -6.380 1.00 0.00 H new ATOM 259 N ILE A 52 11.144 2.540 -5.460 1.00 0.00 N ATOM 260 CA ILE A 52 10.718 1.106 -5.453 1.00 0.00 C ATOM 261 C ILE A 52 11.842 0.278 -4.844 1.00 0.00 C ATOM 262 O ILE A 52 11.630 -0.662 -4.111 1.00 0.00 O ATOM 263 CB ILE A 52 10.548 0.714 -6.900 1.00 0.00 C ATOM 264 CG1 ILE A 52 9.439 1.541 -7.552 1.00 0.00 C ATOM 265 CG2 ILE A 52 10.187 -0.767 -6.952 1.00 0.00 C ATOM 266 CD1 ILE A 52 8.143 1.373 -6.763 1.00 0.00 C ATOM 0 H ILE A 52 10.967 3.056 -6.322 1.00 0.00 H new ATOM 0 HA ILE A 52 9.801 0.950 -4.885 1.00 0.00 H new ATOM 0 HB ILE A 52 11.474 0.900 -7.444 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.725 2.592 -7.581 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.292 1.222 -8.584 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.059 -1.074 -7.990 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.986 -1.352 -6.496 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.258 -0.934 -6.407 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.354 1.963 -7.229 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.854 0.322 -6.757 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.294 1.714 -5.739 1.00 0.00 H new ATOM 278 N GLU A 53 13.049 0.642 -5.139 1.00 0.00 N ATOM 279 CA GLU A 53 14.195 -0.099 -4.576 1.00 0.00 C ATOM 280 C GLU A 53 14.288 0.136 -3.067 1.00 0.00 C ATOM 281 O GLU A 53 14.147 -0.779 -2.280 1.00 0.00 O ATOM 282 CB GLU A 53 15.408 0.481 -5.293 1.00 0.00 C ATOM 283 CG GLU A 53 16.695 -0.027 -4.637 1.00 0.00 C ATOM 284 CD GLU A 53 17.670 1.138 -4.451 1.00 0.00 C ATOM 285 OE1 GLU A 53 17.313 2.082 -3.765 1.00 0.00 O ATOM 286 OE2 GLU A 53 18.757 1.067 -5.000 1.00 0.00 O ATOM 0 H GLU A 53 13.291 1.424 -5.748 1.00 0.00 H new ATOM 0 HA GLU A 53 14.111 -1.177 -4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.389 0.197 -6.345 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.376 1.570 -5.256 1.00 0.00 H new ATOM 0 HG2 GLU A 53 16.469 -0.483 -3.673 1.00 0.00 H new ATOM 0 HG3 GLU A 53 17.150 -0.800 -5.256 1.00 0.00 H new ATOM 293 N ASP A 54 14.514 1.356 -2.656 1.00 0.00 N ATOM 294 CA ASP A 54 14.629 1.636 -1.189 1.00 0.00 C ATOM 295 C ASP A 54 13.253 1.638 -0.524 1.00 0.00 C ATOM 296 O ASP A 54 13.131 1.677 0.685 1.00 0.00 O ATOM 297 CB ASP A 54 15.264 3.016 -1.104 1.00 0.00 C ATOM 298 CG ASP A 54 16.643 2.907 -0.451 1.00 0.00 C ATOM 299 OD1 ASP A 54 16.715 2.391 0.652 1.00 0.00 O ATOM 300 OD2 ASP A 54 17.603 3.341 -1.066 1.00 0.00 O ATOM 0 H ASP A 54 14.624 2.167 -3.265 1.00 0.00 H new ATOM 0 HA ASP A 54 15.218 0.877 -0.675 1.00 0.00 H new ATOM 0 HB2 ASP A 54 15.356 3.447 -2.101 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.628 3.685 -0.524 1.00 0.00 H new ATOM 305 N ILE A 55 12.224 1.615 -1.309 1.00 0.00 N ATOM 306 CA ILE A 55 10.844 1.634 -0.762 1.00 0.00 C ATOM 307 C ILE A 55 10.181 0.266 -0.922 1.00 0.00 C ATOM 308 O ILE A 55 9.373 -0.148 -0.114 1.00 0.00 O ATOM 309 CB ILE A 55 10.126 2.700 -1.603 1.00 0.00 C ATOM 310 CG1 ILE A 55 9.079 3.410 -0.766 1.00 0.00 C ATOM 311 CG2 ILE A 55 9.421 2.053 -2.780 1.00 0.00 C ATOM 312 CD1 ILE A 55 9.756 4.197 0.357 1.00 0.00 C ATOM 0 H ILE A 55 12.279 1.583 -2.327 1.00 0.00 H new ATOM 0 HA ILE A 55 10.814 1.857 0.304 1.00 0.00 H new ATOM 0 HB ILE A 55 10.874 3.410 -1.955 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.495 4.084 -1.393 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.384 2.684 -0.345 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.916 2.820 -3.368 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.152 1.540 -3.405 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.688 1.334 -2.415 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.998 4.704 0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.320 3.513 0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.433 4.935 -0.073 1.00 0.00 H new ATOM 324 N VAL A 56 10.477 -0.405 -1.997 1.00 0.00 N ATOM 325 CA VAL A 56 9.824 -1.709 -2.259 1.00 0.00 C ATOM 326 C VAL A 56 10.828 -2.878 -2.307 1.00 0.00 C ATOM 327 O VAL A 56 10.570 -3.929 -1.755 1.00 0.00 O ATOM 328 CB VAL A 56 9.121 -1.479 -3.601 1.00 0.00 C ATOM 329 CG1 VAL A 56 9.047 -2.776 -4.397 1.00 0.00 C ATOM 330 CG2 VAL A 56 7.705 -0.961 -3.328 1.00 0.00 C ATOM 0 H VAL A 56 11.145 -0.104 -2.706 1.00 0.00 H new ATOM 0 HA VAL A 56 9.137 -2.004 -1.466 1.00 0.00 H new ATOM 0 HB VAL A 56 9.685 -0.751 -4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.544 -2.592 -5.347 1.00 0.00 H new ATOM 0 HG12 VAL A 56 10.055 -3.145 -4.586 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.488 -3.520 -3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.191 -0.792 -4.274 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.155 -1.697 -2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.761 -0.024 -2.773 1.00 0.00 H new ATOM 340 N LEU A 57 11.954 -2.738 -2.959 1.00 0.00 N ATOM 341 CA LEU A 57 12.902 -3.895 -3.000 1.00 0.00 C ATOM 342 C LEU A 57 13.251 -4.319 -1.573 1.00 0.00 C ATOM 343 O LEU A 57 13.322 -5.490 -1.257 1.00 0.00 O ATOM 344 CB LEU A 57 14.146 -3.397 -3.746 1.00 0.00 C ATOM 345 CG LEU A 57 15.338 -4.302 -3.424 1.00 0.00 C ATOM 346 CD1 LEU A 57 16.384 -4.187 -4.533 1.00 0.00 C ATOM 347 CD2 LEU A 57 15.962 -3.871 -2.093 1.00 0.00 C ATOM 0 H LEU A 57 12.254 -1.897 -3.453 1.00 0.00 H new ATOM 0 HA LEU A 57 12.473 -4.763 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 57 13.960 -3.393 -4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 57 14.368 -2.370 -3.457 1.00 0.00 H new ATOM 0 HG LEU A 57 14.997 -5.335 -3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 57 17.232 -4.832 -4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 57 15.943 -4.493 -5.482 1.00 0.00 H new ATOM 0 HD13 LEU A 57 16.724 -3.154 -4.607 1.00 0.00 H new ATOM 0 HD21 LEU A 57 16.811 -4.515 -1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 57 16.301 -2.838 -2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 57 15.219 -3.953 -1.299 1.00 0.00 H new ATOM 359 N LYS A 58 13.468 -3.368 -0.716 1.00 0.00 N ATOM 360 CA LYS A 58 13.817 -3.690 0.697 1.00 0.00 C ATOM 361 C LYS A 58 12.549 -3.854 1.541 1.00 0.00 C ATOM 362 O LYS A 58 12.441 -4.754 2.349 1.00 0.00 O ATOM 363 CB LYS A 58 14.615 -2.480 1.177 1.00 0.00 C ATOM 364 CG LYS A 58 15.956 -2.940 1.748 1.00 0.00 C ATOM 365 CD LYS A 58 16.840 -1.721 2.014 1.00 0.00 C ATOM 366 CE LYS A 58 18.012 -2.125 2.910 1.00 0.00 C ATOM 367 NZ LYS A 58 19.066 -1.106 2.643 1.00 0.00 N ATOM 0 H LYS A 58 13.419 -2.372 -0.932 1.00 0.00 H new ATOM 0 HA LYS A 58 14.375 -4.623 0.782 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.779 -1.789 0.350 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.052 -1.939 1.937 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.799 -3.497 2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.449 -3.615 1.049 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.211 -1.316 1.073 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.257 -0.934 2.492 1.00 0.00 H new ATOM 0 HE2 LYS A 58 17.723 -2.129 3.961 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.364 -3.129 2.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 19.905 -1.314 3.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 19.325 -1.130 1.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 18.705 -0.161 2.885 1.00 0.00 H new ATOM 381 N GLY A 59 11.600 -2.973 1.374 1.00 0.00 N ATOM 382 CA GLY A 59 10.348 -3.057 2.182 1.00 0.00 C ATOM 383 C GLY A 59 9.318 -3.974 1.509 1.00 0.00 C ATOM 384 O GLY A 59 8.646 -4.744 2.167 1.00 0.00 O ATOM 0 H GLY A 59 11.637 -2.198 0.712 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.579 -3.434 3.178 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.925 -2.060 2.308 1.00 0.00 H new ATOM 388 N GLY A 60 9.168 -3.894 0.212 1.00 0.00 N ATOM 389 CA GLY A 60 8.162 -4.757 -0.473 1.00 0.00 C ATOM 390 C GLY A 60 8.600 -6.224 -0.427 1.00 0.00 C ATOM 391 O GLY A 60 7.861 -7.079 0.015 1.00 0.00 O ATOM 0 H GLY A 60 9.696 -3.271 -0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.190 -4.645 0.007 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.044 -4.438 -1.509 1.00 0.00 H new ATOM 395 N LYS A 61 9.790 -6.520 -0.885 1.00 0.00 N ATOM 396 CA LYS A 61 10.294 -7.934 -0.892 1.00 0.00 C ATOM 397 C LYS A 61 10.376 -8.558 0.516 1.00 0.00 C ATOM 398 O LYS A 61 10.911 -9.637 0.679 1.00 0.00 O ATOM 399 CB LYS A 61 11.695 -7.835 -1.498 1.00 0.00 C ATOM 400 CG LYS A 61 12.024 -9.130 -2.243 1.00 0.00 C ATOM 401 CD LYS A 61 12.587 -8.797 -3.627 1.00 0.00 C ATOM 402 CE LYS A 61 13.704 -9.783 -3.976 1.00 0.00 C ATOM 403 NZ LYS A 61 14.937 -9.195 -3.382 1.00 0.00 N ATOM 0 H LYS A 61 10.445 -5.834 -1.260 1.00 0.00 H new ATOM 0 HA LYS A 61 9.616 -8.579 -1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.748 -6.987 -2.181 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.430 -7.658 -0.713 1.00 0.00 H new ATOM 0 HG2 LYS A 61 12.748 -9.714 -1.675 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.128 -9.743 -2.342 1.00 0.00 H new ATOM 0 HD2 LYS A 61 11.796 -8.848 -4.375 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.971 -7.777 -3.639 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.500 -10.772 -3.565 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.803 -9.901 -5.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 15.748 -9.816 -3.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.109 -8.257 -3.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.816 -9.101 -2.353 1.00 0.00 H new ATOM 417 N ALA A 62 9.860 -7.918 1.533 1.00 0.00 N ATOM 418 CA ALA A 62 9.927 -8.513 2.886 1.00 0.00 C ATOM 419 C ALA A 62 9.263 -9.888 2.860 1.00 0.00 C ATOM 420 O ALA A 62 9.911 -10.911 2.967 1.00 0.00 O ATOM 421 CB ALA A 62 9.154 -7.545 3.784 1.00 0.00 C ATOM 0 H ALA A 62 9.397 -7.011 1.478 1.00 0.00 H new ATOM 0 HA ALA A 62 10.947 -8.652 3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.158 -7.917 4.808 1.00 0.00 H new ATOM 0 HB2 ALA A 62 9.627 -6.563 3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.126 -7.464 3.431 1.00 0.00 H new ATOM 427 N LYS A 63 7.974 -9.912 2.667 1.00 0.00 N ATOM 428 CA LYS A 63 7.248 -11.217 2.572 1.00 0.00 C ATOM 429 C LYS A 63 7.243 -11.619 1.105 1.00 0.00 C ATOM 430 O LYS A 63 7.044 -12.761 0.742 1.00 0.00 O ATOM 431 CB LYS A 63 5.809 -10.957 3.042 1.00 0.00 C ATOM 432 CG LYS A 63 5.789 -9.936 4.180 1.00 0.00 C ATOM 433 CD LYS A 63 6.471 -10.531 5.409 1.00 0.00 C ATOM 434 CE LYS A 63 7.978 -10.329 5.283 1.00 0.00 C ATOM 435 NZ LYS A 63 8.499 -10.401 6.676 1.00 0.00 N ATOM 0 H LYS A 63 7.387 -9.083 2.570 1.00 0.00 H new ATOM 0 HA LYS A 63 7.707 -12.002 3.173 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.209 -10.592 2.208 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.356 -11.890 3.376 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.300 -9.023 3.873 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.762 -9.661 4.418 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.101 -10.051 6.315 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.238 -11.593 5.492 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.427 -11.098 4.654 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.210 -9.367 4.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.531 -10.270 6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.060 -9.653 7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.271 -11.330 7.084 1.00 0.00 H new ATOM 449 N ASN A 64 7.464 -10.649 0.269 1.00 0.00 N ATOM 450 CA ASN A 64 7.484 -10.881 -1.201 1.00 0.00 C ATOM 451 C ASN A 64 8.714 -11.707 -1.595 1.00 0.00 C ATOM 452 O ASN A 64 9.837 -11.314 -1.348 1.00 0.00 O ATOM 453 CB ASN A 64 7.562 -9.469 -1.784 1.00 0.00 C ATOM 454 CG ASN A 64 6.164 -9.025 -2.225 1.00 0.00 C ATOM 455 OD1 ASN A 64 5.438 -9.783 -2.837 1.00 0.00 O ATOM 456 ND2 ASN A 64 5.751 -7.822 -1.934 1.00 0.00 N ATOM 0 H ASN A 64 7.636 -9.683 0.547 1.00 0.00 H new ATOM 0 HA ASN A 64 6.619 -11.438 -1.561 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.958 -8.778 -1.040 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.246 -9.451 -2.632 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.820 -7.519 -2.220 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.359 -7.184 -1.420 1.00 0.00 H new ATOM 463 N PRO A 65 8.449 -12.837 -2.195 1.00 0.00 N ATOM 464 CA PRO A 65 9.524 -13.762 -2.636 1.00 0.00 C ATOM 465 C PRO A 65 10.399 -13.118 -3.717 1.00 0.00 C ATOM 466 O PRO A 65 11.604 -13.273 -3.724 1.00 0.00 O ATOM 467 CB PRO A 65 8.736 -14.944 -3.198 1.00 0.00 C ATOM 468 CG PRO A 65 7.427 -14.365 -3.582 1.00 0.00 C ATOM 469 CD PRO A 65 7.126 -13.369 -2.525 1.00 0.00 C ATOM 0 HA PRO A 65 10.212 -14.039 -1.837 1.00 0.00 H new ATOM 0 HB2 PRO A 65 9.242 -15.387 -4.056 1.00 0.00 H new ATOM 0 HB3 PRO A 65 8.619 -15.733 -2.455 1.00 0.00 H new ATOM 0 HG2 PRO A 65 7.475 -13.896 -4.565 1.00 0.00 H new ATOM 0 HG3 PRO A 65 6.655 -15.133 -3.633 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.454 -12.589 -2.884 1.00 0.00 H new ATOM 0 HD3 PRO A 65 6.648 -13.829 -1.660 1.00 0.00 H new ATOM 477 N SER A 66 9.809 -12.387 -4.622 1.00 0.00 N ATOM 478 CA SER A 66 10.604 -11.726 -5.688 1.00 0.00 C ATOM 479 C SER A 66 9.684 -10.908 -6.557 1.00 0.00 C ATOM 480 O SER A 66 8.818 -11.401 -7.252 1.00 0.00 O ATOM 481 CB SER A 66 11.283 -12.841 -6.479 1.00 0.00 C ATOM 482 OG SER A 66 12.519 -13.172 -5.860 1.00 0.00 O ATOM 0 H SER A 66 8.804 -12.220 -4.667 1.00 0.00 H new ATOM 0 HA SER A 66 11.355 -11.048 -5.284 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.637 -13.718 -6.520 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.452 -12.522 -7.507 1.00 0.00 H new ATOM 0 HG SER A 66 12.356 -13.458 -4.937 1.00 0.00 H new ATOM 488 N ILE A 67 9.852 -9.645 -6.442 1.00 0.00 N ATOM 489 CA ILE A 67 9.012 -8.684 -7.141 1.00 0.00 C ATOM 490 C ILE A 67 9.759 -8.016 -8.296 1.00 0.00 C ATOM 491 O ILE A 67 10.945 -7.765 -8.223 1.00 0.00 O ATOM 492 CB ILE A 67 8.708 -7.710 -6.015 1.00 0.00 C ATOM 493 CG1 ILE A 67 7.514 -8.237 -5.218 1.00 0.00 C ATOM 494 CG2 ILE A 67 8.399 -6.316 -6.565 1.00 0.00 C ATOM 495 CD1 ILE A 67 7.742 -9.717 -4.895 1.00 0.00 C ATOM 0 H ILE A 67 10.576 -9.222 -5.861 1.00 0.00 H new ATOM 0 HA ILE A 67 8.129 -9.110 -7.617 1.00 0.00 H new ATOM 0 HB ILE A 67 9.582 -7.627 -5.368 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.394 -7.665 -4.298 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.595 -8.114 -5.791 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.185 -5.638 -5.739 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.259 -5.947 -7.124 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.533 -6.369 -7.225 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.895 -10.100 -4.327 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.841 -10.281 -5.823 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.653 -9.825 -4.306 1.00 0.00 H new ATOM 507 N VAL A 68 9.065 -7.718 -9.358 1.00 0.00 N ATOM 508 CA VAL A 68 9.729 -7.054 -10.516 1.00 0.00 C ATOM 509 C VAL A 68 9.300 -5.584 -10.592 1.00 0.00 C ATOM 510 O VAL A 68 8.163 -5.248 -10.329 1.00 0.00 O ATOM 511 CB VAL A 68 9.278 -7.839 -11.762 1.00 0.00 C ATOM 512 CG1 VAL A 68 8.033 -7.197 -12.388 1.00 0.00 C ATOM 513 CG2 VAL A 68 10.411 -7.836 -12.791 1.00 0.00 C ATOM 0 H VAL A 68 8.069 -7.904 -9.475 1.00 0.00 H new ATOM 0 HA VAL A 68 10.815 -7.058 -10.429 1.00 0.00 H new ATOM 0 HB VAL A 68 9.035 -8.859 -11.464 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.732 -7.768 -13.267 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.221 -7.194 -11.661 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.261 -6.172 -12.682 1.00 0.00 H new ATOM 0 HG21 VAL A 68 10.100 -8.390 -13.677 1.00 0.00 H new ATOM 0 HG22 VAL A 68 10.647 -6.809 -13.070 1.00 0.00 H new ATOM 0 HG23 VAL A 68 11.295 -8.307 -12.361 1.00 0.00 H new ATOM 523 N VAL A 69 10.196 -4.707 -10.953 1.00 0.00 N ATOM 524 CA VAL A 69 9.821 -3.267 -11.045 1.00 0.00 C ATOM 525 C VAL A 69 9.924 -2.787 -12.494 1.00 0.00 C ATOM 526 O VAL A 69 10.994 -2.487 -12.986 1.00 0.00 O ATOM 527 CB VAL A 69 10.823 -2.533 -10.158 1.00 0.00 C ATOM 528 CG1 VAL A 69 10.528 -1.030 -10.189 1.00 0.00 C ATOM 529 CG2 VAL A 69 10.696 -3.048 -8.723 1.00 0.00 C ATOM 0 H VAL A 69 11.165 -4.923 -11.187 1.00 0.00 H new ATOM 0 HA VAL A 69 8.795 -3.087 -10.725 1.00 0.00 H new ATOM 0 HB VAL A 69 11.835 -2.710 -10.523 1.00 0.00 H new ATOM 0 HG11 VAL A 69 11.243 -0.506 -9.556 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.612 -0.664 -11.212 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.518 -0.850 -9.821 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.410 -2.527 -8.085 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.685 -2.867 -8.360 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.903 -4.118 -8.701 1.00 0.00 H new ATOM 539 N GLU A 70 8.816 -2.704 -13.173 1.00 0.00 N ATOM 540 CA GLU A 70 8.837 -2.236 -14.588 1.00 0.00 C ATOM 541 C GLU A 70 8.833 -0.706 -14.630 1.00 0.00 C ATOM 542 O GLU A 70 7.961 -0.064 -14.079 1.00 0.00 O ATOM 543 CB GLU A 70 7.549 -2.769 -15.219 1.00 0.00 C ATOM 544 CG GLU A 70 7.274 -4.199 -14.760 1.00 0.00 C ATOM 545 CD GLU A 70 8.505 -5.069 -15.021 1.00 0.00 C ATOM 546 OE1 GLU A 70 9.552 -4.758 -14.479 1.00 0.00 O ATOM 547 OE2 GLU A 70 8.380 -6.032 -15.761 1.00 0.00 O ATOM 0 H GLU A 70 7.893 -2.941 -12.809 1.00 0.00 H new ATOM 0 HA GLU A 70 9.725 -2.585 -15.115 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.712 -2.127 -14.946 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.632 -2.740 -16.305 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.028 -4.210 -13.698 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.412 -4.603 -15.291 1.00 0.00 H new ATOM 554 N ASP A 71 9.791 -0.117 -15.284 1.00 0.00 N ATOM 555 CA ASP A 71 9.830 1.370 -15.364 1.00 0.00 C ATOM 556 C ASP A 71 9.839 1.805 -16.832 1.00 0.00 C ATOM 557 O ASP A 71 10.851 1.736 -17.500 1.00 0.00 O ATOM 558 CB ASP A 71 11.133 1.771 -14.670 1.00 0.00 C ATOM 559 CG ASP A 71 10.869 2.942 -13.721 1.00 0.00 C ATOM 560 OD1 ASP A 71 10.092 2.765 -12.797 1.00 0.00 O ATOM 561 OD2 ASP A 71 11.448 3.993 -13.934 1.00 0.00 O ATOM 0 H ASP A 71 10.549 -0.599 -15.767 1.00 0.00 H new ATOM 0 HA ASP A 71 8.966 1.840 -14.895 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.537 0.924 -14.115 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.881 2.052 -15.412 1.00 0.00 H new ATOM 566 N LYS A 72 8.720 2.247 -17.343 1.00 0.00 N ATOM 567 CA LYS A 72 8.675 2.676 -18.768 1.00 0.00 C ATOM 568 C LYS A 72 8.662 4.202 -18.853 1.00 0.00 C ATOM 569 O LYS A 72 8.076 4.872 -18.027 1.00 0.00 O ATOM 570 CB LYS A 72 7.370 2.093 -19.317 1.00 0.00 C ATOM 571 CG LYS A 72 7.640 0.711 -19.916 1.00 0.00 C ATOM 572 CD LYS A 72 7.339 0.734 -21.417 1.00 0.00 C ATOM 573 CE LYS A 72 5.925 0.197 -21.665 1.00 0.00 C ATOM 574 NZ LYS A 72 6.087 -1.278 -21.816 1.00 0.00 N ATOM 0 H LYS A 72 7.839 2.329 -16.836 1.00 0.00 H new ATOM 0 HA LYS A 72 9.541 2.332 -19.334 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.630 2.017 -18.521 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.955 2.755 -20.077 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.679 0.427 -19.747 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.021 -0.038 -19.422 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.425 1.751 -21.800 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.069 0.128 -21.954 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.261 0.437 -20.834 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.488 0.639 -22.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.158 -1.713 -21.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.717 -1.478 -22.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.498 -1.673 -20.946 1.00 0.00 H new ATOM 588 N ALA A 73 9.306 4.754 -19.844 1.00 0.00 N ATOM 589 CA ALA A 73 9.332 6.237 -19.981 1.00 0.00 C ATOM 590 C ALA A 73 7.903 6.785 -20.026 1.00 0.00 C ATOM 591 O ALA A 73 7.352 7.021 -21.082 1.00 0.00 O ATOM 592 CB ALA A 73 10.053 6.500 -21.304 1.00 0.00 C ATOM 0 H ALA A 73 9.815 4.242 -20.565 1.00 0.00 H new ATOM 0 HA ALA A 73 9.832 6.723 -19.143 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.113 7.574 -21.478 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.059 6.083 -21.259 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.501 6.031 -22.119 1.00 0.00 H new ATOM 598 N GLY A 74 7.298 6.987 -18.888 1.00 0.00 N ATOM 599 CA GLY A 74 5.908 7.515 -18.875 1.00 0.00 C ATOM 600 C GLY A 74 5.054 6.694 -17.926 1.00 0.00 C ATOM 601 O GLY A 74 4.052 7.148 -17.408 1.00 0.00 O ATOM 0 H GLY A 74 7.706 6.809 -17.970 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.909 8.560 -18.566 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.487 7.481 -19.880 1.00 0.00 H new ATOM 605 N PHE A 75 5.444 5.484 -17.706 1.00 0.00 N ATOM 606 CA PHE A 75 4.663 4.600 -16.795 1.00 0.00 C ATOM 607 C PHE A 75 5.553 4.038 -15.682 1.00 0.00 C ATOM 608 O PHE A 75 6.765 4.038 -15.769 1.00 0.00 O ATOM 609 CB PHE A 75 4.138 3.475 -17.687 1.00 0.00 C ATOM 610 CG PHE A 75 2.962 3.978 -18.489 1.00 0.00 C ATOM 611 CD1 PHE A 75 1.830 4.478 -17.834 1.00 0.00 C ATOM 612 CD2 PHE A 75 3.003 3.945 -19.888 1.00 0.00 C ATOM 613 CE1 PHE A 75 0.739 4.945 -18.578 1.00 0.00 C ATOM 614 CE2 PHE A 75 1.913 4.411 -20.632 1.00 0.00 C ATOM 615 CZ PHE A 75 0.781 4.911 -19.977 1.00 0.00 C ATOM 0 H PHE A 75 6.275 5.058 -18.116 1.00 0.00 H new ATOM 0 HA PHE A 75 3.856 5.140 -16.299 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.926 3.128 -18.355 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.839 2.622 -17.077 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.798 4.504 -16.755 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.876 3.560 -20.393 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -0.134 5.331 -18.073 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.945 4.385 -21.711 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.060 5.271 -20.551 1.00 0.00 H new ATOM 625 N TRP A 76 4.939 3.569 -14.636 1.00 0.00 N ATOM 626 CA TRP A 76 5.694 3.004 -13.482 1.00 0.00 C ATOM 627 C TRP A 76 5.007 1.704 -13.047 1.00 0.00 C ATOM 628 O TRP A 76 4.229 1.679 -12.114 1.00 0.00 O ATOM 629 CB TRP A 76 5.574 4.108 -12.422 1.00 0.00 C ATOM 630 CG TRP A 76 5.984 3.622 -11.086 1.00 0.00 C ATOM 631 CD1 TRP A 76 7.000 2.781 -10.839 1.00 0.00 C ATOM 632 CD2 TRP A 76 5.423 3.980 -9.794 1.00 0.00 C ATOM 633 NE1 TRP A 76 7.081 2.574 -9.487 1.00 0.00 N ATOM 634 CE2 TRP A 76 6.127 3.289 -8.793 1.00 0.00 C ATOM 635 CE3 TRP A 76 4.377 4.822 -9.406 1.00 0.00 C ATOM 636 CZ2 TRP A 76 5.804 3.428 -7.443 1.00 0.00 C ATOM 637 CZ3 TRP A 76 4.045 4.972 -8.054 1.00 0.00 C ATOM 638 CH2 TRP A 76 4.756 4.274 -7.071 1.00 0.00 C ATOM 0 H TRP A 76 3.925 3.552 -14.528 1.00 0.00 H new ATOM 0 HA TRP A 76 6.735 2.752 -13.683 1.00 0.00 H new ATOM 0 HB2 TRP A 76 6.194 4.958 -12.708 1.00 0.00 H new ATOM 0 HB3 TRP A 76 4.545 4.464 -12.381 1.00 0.00 H new ATOM 0 HD1 TRP A 76 7.647 2.340 -11.583 1.00 0.00 H new ATOM 0 HE1 TRP A 76 7.767 1.962 -9.045 1.00 0.00 H new ATOM 0 HE3 TRP A 76 3.819 5.362 -10.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 6.359 2.886 -6.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 3.237 5.629 -7.768 1.00 0.00 H new ATOM 0 HH2 TRP A 76 4.496 4.389 -6.029 1.00 0.00 H new ATOM 649 N TRP A 77 5.259 0.631 -13.758 1.00 0.00 N ATOM 650 CA TRP A 77 4.589 -0.665 -13.436 1.00 0.00 C ATOM 651 C TRP A 77 5.482 -1.595 -12.607 1.00 0.00 C ATOM 652 O TRP A 77 6.648 -1.758 -12.886 1.00 0.00 O ATOM 653 CB TRP A 77 4.350 -1.322 -14.801 1.00 0.00 C ATOM 654 CG TRP A 77 3.231 -0.647 -15.523 1.00 0.00 C ATOM 655 CD1 TRP A 77 3.033 0.689 -15.583 1.00 0.00 C ATOM 656 CD2 TRP A 77 2.165 -1.256 -16.308 1.00 0.00 C ATOM 657 NE1 TRP A 77 1.897 0.936 -16.336 1.00 0.00 N ATOM 658 CE2 TRP A 77 1.331 -0.230 -16.809 1.00 0.00 C ATOM 659 CE3 TRP A 77 1.840 -2.588 -16.623 1.00 0.00 C ATOM 660 CZ2 TRP A 77 0.215 -0.513 -17.594 1.00 0.00 C ATOM 661 CZ3 TRP A 77 0.717 -2.878 -17.415 1.00 0.00 C ATOM 662 CH2 TRP A 77 -0.094 -1.842 -17.900 1.00 0.00 C ATOM 0 H TRP A 77 5.902 0.599 -14.549 1.00 0.00 H new ATOM 0 HA TRP A 77 3.685 -0.492 -12.853 1.00 0.00 H new ATOM 0 HB2 TRP A 77 5.259 -1.270 -15.400 1.00 0.00 H new ATOM 0 HB3 TRP A 77 4.118 -2.378 -14.666 1.00 0.00 H new ATOM 0 HD1 TRP A 77 3.657 1.439 -15.120 1.00 0.00 H new ATOM 0 HE1 TRP A 77 1.524 1.868 -16.519 1.00 0.00 H new ATOM 0 HE3 TRP A 77 2.458 -3.393 -16.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -0.407 0.289 -17.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 0.477 -3.904 -17.652 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -0.956 -2.070 -18.509 1.00 0.00 H new ATOM 673 N ILE A 78 4.925 -2.239 -11.618 1.00 0.00 N ATOM 674 CA ILE A 78 5.718 -3.204 -10.803 1.00 0.00 C ATOM 675 C ILE A 78 4.872 -4.453 -10.522 1.00 0.00 C ATOM 676 O ILE A 78 3.689 -4.364 -10.254 1.00 0.00 O ATOM 677 CB ILE A 78 6.064 -2.466 -9.516 1.00 0.00 C ATOM 678 CG1 ILE A 78 7.278 -1.582 -9.780 1.00 0.00 C ATOM 679 CG2 ILE A 78 6.394 -3.470 -8.406 1.00 0.00 C ATOM 680 CD1 ILE A 78 6.913 -0.134 -9.504 1.00 0.00 C ATOM 0 H ILE A 78 3.949 -2.138 -11.338 1.00 0.00 H new ATOM 0 HA ILE A 78 6.622 -3.539 -11.311 1.00 0.00 H new ATOM 0 HB ILE A 78 5.215 -1.860 -9.198 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.110 -1.887 -9.145 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.607 -1.696 -10.813 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.640 -2.932 -7.490 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.532 -4.113 -8.229 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.245 -4.080 -8.708 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.778 0.501 -9.692 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.094 0.166 -10.158 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.604 -0.029 -8.464 1.00 0.00 H new ATOM 692 N LYS A 79 5.463 -5.614 -10.594 1.00 0.00 N ATOM 693 CA LYS A 79 4.687 -6.866 -10.344 1.00 0.00 C ATOM 694 C LYS A 79 5.098 -7.497 -9.010 1.00 0.00 C ATOM 695 O LYS A 79 6.142 -7.201 -8.466 1.00 0.00 O ATOM 696 CB LYS A 79 5.017 -7.783 -11.539 1.00 0.00 C ATOM 697 CG LYS A 79 5.889 -8.964 -11.096 1.00 0.00 C ATOM 698 CD LYS A 79 6.130 -9.902 -12.281 1.00 0.00 C ATOM 699 CE LYS A 79 5.877 -11.349 -11.846 1.00 0.00 C ATOM 700 NZ LYS A 79 4.753 -11.820 -12.704 1.00 0.00 N ATOM 0 H LYS A 79 6.449 -5.752 -10.815 1.00 0.00 H new ATOM 0 HA LYS A 79 3.615 -6.686 -10.268 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.094 -8.154 -11.984 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.535 -7.212 -12.309 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.841 -8.600 -10.709 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.401 -9.505 -10.285 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.470 -9.639 -13.107 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.152 -9.793 -12.643 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.766 -11.964 -11.987 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.616 -11.403 -10.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.522 -12.805 -12.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.919 -11.220 -12.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.033 -11.764 -13.704 1.00 0.00 H new ATOM 714 N ALA A 80 4.286 -8.373 -8.488 1.00 0.00 N ATOM 715 CA ALA A 80 4.629 -9.033 -7.198 1.00 0.00 C ATOM 716 C ALA A 80 3.978 -10.415 -7.122 1.00 0.00 C ATOM 717 O ALA A 80 2.849 -10.605 -7.536 1.00 0.00 O ATOM 718 CB ALA A 80 4.054 -8.117 -6.118 1.00 0.00 C ATOM 0 H ALA A 80 3.398 -8.661 -8.900 1.00 0.00 H new ATOM 0 HA ALA A 80 5.703 -9.178 -7.084 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.266 -8.536 -5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 80 4.510 -7.130 -6.198 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.976 -8.031 -6.251 1.00 0.00 H new ATOM 724 N ASP A 81 4.676 -11.381 -6.593 1.00 0.00 N ATOM 725 CA ASP A 81 4.091 -12.748 -6.488 1.00 0.00 C ATOM 726 C ASP A 81 3.420 -12.925 -5.127 1.00 0.00 C ATOM 727 O ASP A 81 3.655 -13.888 -4.424 1.00 0.00 O ATOM 728 CB ASP A 81 5.274 -13.703 -6.636 1.00 0.00 C ATOM 729 CG ASP A 81 5.503 -14.006 -8.117 1.00 0.00 C ATOM 730 OD1 ASP A 81 5.525 -13.069 -8.897 1.00 0.00 O ATOM 731 OD2 ASP A 81 5.654 -15.171 -8.445 1.00 0.00 O ATOM 0 H ASP A 81 5.624 -11.284 -6.229 1.00 0.00 H new ATOM 0 HA ASP A 81 3.329 -12.932 -7.245 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.170 -13.259 -6.202 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.080 -14.627 -6.091 1.00 0.00 H new ATOM 736 N GLY A 82 2.588 -11.997 -4.753 1.00 0.00 N ATOM 737 CA GLY A 82 1.897 -12.090 -3.453 1.00 0.00 C ATOM 738 C GLY A 82 0.819 -11.010 -3.374 1.00 0.00 C ATOM 739 O GLY A 82 0.118 -10.746 -4.331 1.00 0.00 O ATOM 0 H GLY A 82 2.359 -11.170 -5.304 1.00 0.00 H new ATOM 0 HA2 GLY A 82 1.448 -13.077 -3.337 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.611 -11.967 -2.639 1.00 0.00 H new ATOM 743 N ALA A 83 0.683 -10.377 -2.242 1.00 0.00 N ATOM 744 CA ALA A 83 -0.347 -9.308 -2.106 1.00 0.00 C ATOM 745 C ALA A 83 0.182 -7.998 -2.693 1.00 0.00 C ATOM 746 O ALA A 83 1.367 -7.839 -2.908 1.00 0.00 O ATOM 747 CB ALA A 83 -0.576 -9.169 -0.601 1.00 0.00 C ATOM 0 H ALA A 83 1.240 -10.553 -1.406 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.269 -9.547 -2.636 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.324 -8.398 -0.416 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.926 -10.119 -0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.359 -8.891 -0.115 1.00 0.00 H new ATOM 753 N ILE A 84 -0.684 -7.059 -2.962 1.00 0.00 N ATOM 754 CA ILE A 84 -0.219 -5.766 -3.542 1.00 0.00 C ATOM 755 C ILE A 84 -1.153 -4.630 -3.123 1.00 0.00 C ATOM 756 O ILE A 84 -2.272 -4.854 -2.708 1.00 0.00 O ATOM 757 CB ILE A 84 -0.274 -5.978 -5.055 1.00 0.00 C ATOM 758 CG1 ILE A 84 0.316 -4.762 -5.766 1.00 0.00 C ATOM 759 CG2 ILE A 84 -1.727 -6.168 -5.493 1.00 0.00 C ATOM 760 CD1 ILE A 84 1.841 -4.832 -5.699 1.00 0.00 C ATOM 0 H ILE A 84 -1.690 -7.130 -2.806 1.00 0.00 H new ATOM 0 HA ILE A 84 0.780 -5.492 -3.202 1.00 0.00 H new ATOM 0 HB ILE A 84 0.303 -6.865 -5.315 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -0.014 -4.738 -6.805 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.039 -3.844 -5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.765 -6.319 -6.572 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.148 -7.038 -4.990 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.305 -5.282 -5.230 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.268 -3.966 -6.205 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.160 -4.836 -4.657 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.185 -5.744 -6.187 1.00 0.00 H new ATOM 772 N GLU A 85 -0.704 -3.410 -3.233 1.00 0.00 N ATOM 773 CA GLU A 85 -1.556 -2.270 -2.851 1.00 0.00 C ATOM 774 C GLU A 85 -1.382 -1.118 -3.844 1.00 0.00 C ATOM 775 O GLU A 85 -0.445 -1.084 -4.617 1.00 0.00 O ATOM 776 CB GLU A 85 -1.082 -1.861 -1.457 1.00 0.00 C ATOM 777 CG GLU A 85 -2.004 -2.478 -0.405 1.00 0.00 C ATOM 778 CD GLU A 85 -1.168 -3.007 0.763 1.00 0.00 C ATOM 779 OE1 GLU A 85 0.042 -2.858 0.715 1.00 0.00 O ATOM 780 OE2 GLU A 85 -1.752 -3.549 1.686 1.00 0.00 O ATOM 0 H GLU A 85 0.224 -3.161 -3.574 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.614 -2.530 -2.856 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.056 -2.194 -1.298 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.083 -0.775 -1.365 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.715 -1.733 -0.048 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.585 -3.288 -0.846 1.00 0.00 H new ATOM 787 N ILE A 86 -2.278 -0.170 -3.823 1.00 0.00 N ATOM 788 CA ILE A 86 -2.175 0.979 -4.744 1.00 0.00 C ATOM 789 C ILE A 86 -2.207 2.290 -3.943 1.00 0.00 C ATOM 790 O ILE A 86 -2.559 2.305 -2.780 1.00 0.00 O ATOM 791 CB ILE A 86 -3.368 0.840 -5.697 1.00 0.00 C ATOM 792 CG1 ILE A 86 -2.876 0.187 -6.981 1.00 0.00 C ATOM 793 CG2 ILE A 86 -3.977 2.217 -6.007 1.00 0.00 C ATOM 794 CD1 ILE A 86 -2.574 1.272 -7.980 1.00 0.00 C ATOM 0 H ILE A 86 -3.083 -0.149 -3.197 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.242 0.996 -5.307 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.141 0.229 -5.232 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.984 -0.408 -6.786 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.632 -0.492 -7.375 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.822 2.097 -6.685 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.317 2.681 -5.081 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.224 2.851 -6.475 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.220 0.824 -8.908 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.479 1.847 -8.177 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.805 1.932 -7.579 1.00 0.00 H new ATOM 806 N ASP A 87 -1.834 3.384 -4.554 1.00 0.00 N ATOM 807 CA ASP A 87 -1.837 4.689 -3.822 1.00 0.00 C ATOM 808 C ASP A 87 -2.115 5.839 -4.777 1.00 0.00 C ATOM 809 O ASP A 87 -1.825 5.769 -5.954 1.00 0.00 O ATOM 810 CB ASP A 87 -0.419 4.874 -3.303 1.00 0.00 C ATOM 811 CG ASP A 87 -0.276 4.294 -1.893 1.00 0.00 C ATOM 812 OD1 ASP A 87 -1.155 3.560 -1.479 1.00 0.00 O ATOM 813 OD2 ASP A 87 0.714 4.600 -1.250 1.00 0.00 O ATOM 0 H ASP A 87 -1.528 3.432 -5.526 1.00 0.00 H new ATOM 0 HA ASP A 87 -2.595 4.683 -3.039 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.286 4.385 -3.975 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.166 5.934 -3.292 1.00 0.00 H new ATOM 818 N ALA A 88 -2.627 6.920 -4.272 1.00 0.00 N ATOM 819 CA ALA A 88 -2.861 8.088 -5.165 1.00 0.00 C ATOM 820 C ALA A 88 -2.646 9.427 -4.410 1.00 0.00 C ATOM 821 O ALA A 88 -2.375 10.462 -5.008 1.00 0.00 O ATOM 822 CB ALA A 88 -4.305 7.935 -5.673 1.00 0.00 C ATOM 0 H ALA A 88 -2.891 7.049 -3.295 1.00 0.00 H new ATOM 0 HA ALA A 88 -2.155 8.111 -5.995 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.546 8.764 -6.339 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.402 6.994 -6.215 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.991 7.938 -4.826 1.00 0.00 H new ATOM 828 N ALA A 89 -2.748 9.417 -3.103 1.00 0.00 N ATOM 829 CA ALA A 89 -2.537 10.666 -2.316 1.00 0.00 C ATOM 830 C ALA A 89 -1.347 11.457 -2.868 1.00 0.00 C ATOM 831 O ALA A 89 -1.421 12.654 -3.063 1.00 0.00 O ATOM 832 CB ALA A 89 -2.250 10.175 -0.904 1.00 0.00 C ATOM 0 H ALA A 89 -2.970 8.591 -2.547 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.395 11.337 -2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.081 11.030 -0.249 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.101 9.601 -0.538 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.362 9.543 -0.912 1.00 0.00 H new ATOM 838 N GLU A 90 -0.255 10.794 -3.123 1.00 0.00 N ATOM 839 CA GLU A 90 0.941 11.506 -3.667 1.00 0.00 C ATOM 840 C GLU A 90 0.527 12.372 -4.856 1.00 0.00 C ATOM 841 O GLU A 90 0.714 13.574 -4.867 1.00 0.00 O ATOM 842 CB GLU A 90 1.891 10.397 -4.123 1.00 0.00 C ATOM 843 CG GLU A 90 3.312 10.954 -4.245 1.00 0.00 C ATOM 844 CD GLU A 90 4.325 9.828 -4.021 1.00 0.00 C ATOM 845 OE1 GLU A 90 4.230 8.825 -4.711 1.00 0.00 O ATOM 846 OE2 GLU A 90 5.178 9.987 -3.164 1.00 0.00 O ATOM 0 H GLU A 90 -0.136 9.791 -2.980 1.00 0.00 H new ATOM 0 HA GLU A 90 1.406 12.162 -2.931 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.873 9.573 -3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.564 9.996 -5.082 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.457 11.397 -5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 90 3.467 11.747 -3.514 1.00 0.00 H new ATOM 853 N ALA A 91 -0.046 11.761 -5.850 1.00 0.00 N ATOM 854 CA ALA A 91 -0.492 12.527 -7.045 1.00 0.00 C ATOM 855 C ALA A 91 -1.228 13.796 -6.601 1.00 0.00 C ATOM 856 O ALA A 91 -1.208 14.806 -7.277 1.00 0.00 O ATOM 857 CB ALA A 91 -1.431 11.566 -7.782 1.00 0.00 C ATOM 0 H ALA A 91 -0.226 10.758 -5.888 1.00 0.00 H new ATOM 0 HA ALA A 91 0.332 12.853 -7.680 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.811 12.048 -8.683 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.885 10.663 -8.056 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.265 11.302 -7.132 1.00 0.00 H new ATOM 863 N GLY A 92 -1.877 13.751 -5.468 1.00 0.00 N ATOM 864 CA GLY A 92 -2.614 14.961 -4.980 1.00 0.00 C ATOM 865 C GLY A 92 -1.609 16.010 -4.540 1.00 0.00 C ATOM 866 O GLY A 92 -1.777 17.192 -4.763 1.00 0.00 O ATOM 0 H GLY A 92 -1.931 12.934 -4.859 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.250 15.358 -5.771 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -3.267 14.694 -4.149 1.00 0.00 H new ATOM 870 N GLU A 93 -0.553 15.582 -3.942 1.00 0.00 N ATOM 871 CA GLU A 93 0.493 16.545 -3.515 1.00 0.00 C ATOM 872 C GLU A 93 1.086 17.178 -4.771 1.00 0.00 C ATOM 873 O GLU A 93 1.670 18.243 -4.737 1.00 0.00 O ATOM 874 CB GLU A 93 1.530 15.706 -2.770 1.00 0.00 C ATOM 875 CG GLU A 93 0.807 14.744 -1.827 1.00 0.00 C ATOM 876 CD GLU A 93 1.521 14.711 -0.474 1.00 0.00 C ATOM 877 OE1 GLU A 93 1.864 15.775 0.017 1.00 0.00 O ATOM 878 OE2 GLU A 93 1.712 13.626 0.047 1.00 0.00 O ATOM 0 H GLU A 93 -0.360 14.604 -3.726 1.00 0.00 H new ATOM 0 HA GLU A 93 0.122 17.347 -2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.143 15.149 -3.478 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.202 16.352 -2.206 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.228 15.059 -1.695 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.783 13.744 -2.261 1.00 0.00 H new ATOM 885 N LEU A 94 0.912 16.522 -5.888 1.00 0.00 N ATOM 886 CA LEU A 94 1.427 17.061 -7.173 1.00 0.00 C ATOM 887 C LEU A 94 0.405 18.044 -7.755 1.00 0.00 C ATOM 888 O LEU A 94 0.644 19.234 -7.822 1.00 0.00 O ATOM 889 CB LEU A 94 1.575 15.835 -8.073 1.00 0.00 C ATOM 890 CG LEU A 94 2.435 16.189 -9.282 1.00 0.00 C ATOM 891 CD1 LEU A 94 3.121 14.926 -9.805 1.00 0.00 C ATOM 892 CD2 LEU A 94 1.545 16.780 -10.378 1.00 0.00 C ATOM 0 H LEU A 94 0.429 15.626 -5.962 1.00 0.00 H new ATOM 0 HA LEU A 94 2.369 17.599 -7.066 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.031 15.016 -7.517 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.594 15.491 -8.400 1.00 0.00 H new ATOM 0 HG LEU A 94 3.192 16.919 -8.994 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.736 15.177 -10.669 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.751 14.503 -9.022 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.366 14.196 -10.097 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.155 17.035 -11.244 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.791 16.049 -10.668 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.054 17.678 -10.003 1.00 0.00 H new ATOM 904 N LEU A 95 -0.741 17.559 -8.167 1.00 0.00 N ATOM 905 CA LEU A 95 -1.778 18.476 -8.727 1.00 0.00 C ATOM 906 C LEU A 95 -2.850 18.769 -7.669 1.00 0.00 C ATOM 907 O LEU A 95 -3.518 19.781 -7.713 1.00 0.00 O ATOM 908 CB LEU A 95 -2.373 17.746 -9.918 1.00 0.00 C ATOM 909 CG LEU A 95 -2.766 16.345 -9.502 1.00 0.00 C ATOM 910 CD1 LEU A 95 -4.086 15.996 -10.177 1.00 0.00 C ATOM 911 CD2 LEU A 95 -1.664 15.377 -9.939 1.00 0.00 C ATOM 0 H LEU A 95 -1.001 16.573 -8.139 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.357 19.436 -9.025 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.244 18.285 -10.291 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.650 17.706 -10.733 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.888 16.276 -8.421 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.387 14.989 -9.889 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.852 16.706 -9.866 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.965 16.043 -11.259 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.934 14.362 -9.646 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.548 15.423 -11.022 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.725 15.655 -9.461 1.00 0.00 H new ATOM 923 N GLY A 96 -2.996 17.899 -6.705 1.00 0.00 N ATOM 924 CA GLY A 96 -4.005 18.129 -5.619 1.00 0.00 C ATOM 925 C GLY A 96 -5.425 18.232 -6.191 1.00 0.00 C ATOM 926 O GLY A 96 -6.188 19.104 -5.823 1.00 0.00 O ATOM 0 H GLY A 96 -2.460 17.035 -6.619 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.959 17.313 -4.898 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.760 19.044 -5.080 1.00 0.00 H new ATOM 930 N LYS A 97 -5.791 17.346 -7.075 1.00 0.00 N ATOM 931 CA LYS A 97 -7.180 17.387 -7.661 1.00 0.00 C ATOM 932 C LYS A 97 -7.745 15.930 -7.751 1.00 0.00 C ATOM 933 O LYS A 97 -7.704 15.238 -6.753 1.00 0.00 O ATOM 934 CB LYS A 97 -6.986 18.086 -9.010 1.00 0.00 C ATOM 935 CG LYS A 97 -6.372 19.473 -8.795 1.00 0.00 C ATOM 936 CD LYS A 97 -6.007 20.073 -10.153 1.00 0.00 C ATOM 937 CE LYS A 97 -6.599 21.478 -10.276 1.00 0.00 C ATOM 938 NZ LYS A 97 -5.704 22.182 -11.237 1.00 0.00 N ATOM 0 H LYS A 97 -5.197 16.593 -7.423 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.919 17.927 -7.069 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.338 17.487 -9.650 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.943 18.178 -9.523 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.078 20.121 -8.275 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.485 19.398 -8.166 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.923 20.114 -10.263 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -6.385 19.438 -10.954 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.625 21.445 -10.642 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.621 21.985 -9.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.042 23.156 -11.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.736 22.203 -10.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.709 21.680 -12.148 1.00 0.00 H new ATOM 952 N PRO A 98 -8.235 15.453 -8.901 1.00 0.00 N ATOM 953 CA PRO A 98 -8.730 14.043 -8.947 1.00 0.00 C ATOM 954 C PRO A 98 -7.527 13.101 -8.878 1.00 0.00 C ATOM 955 O PRO A 98 -7.667 11.897 -8.791 1.00 0.00 O ATOM 956 CB PRO A 98 -9.452 13.944 -10.285 1.00 0.00 C ATOM 957 CG PRO A 98 -8.846 15.006 -11.135 1.00 0.00 C ATOM 958 CD PRO A 98 -8.379 16.106 -10.216 1.00 0.00 C ATOM 0 HA PRO A 98 -9.391 13.774 -8.123 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -9.320 12.959 -10.732 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -10.524 14.099 -10.166 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -8.011 14.607 -11.711 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -9.574 15.387 -11.851 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -7.434 16.531 -10.554 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -9.100 16.923 -10.177 1.00 0.00 H new ATOM 966 N PHE A 99 -6.349 13.676 -8.897 1.00 0.00 N ATOM 967 CA PHE A 99 -5.078 12.908 -8.810 1.00 0.00 C ATOM 968 C PHE A 99 -5.272 11.553 -8.128 1.00 0.00 C ATOM 969 O PHE A 99 -4.715 10.558 -8.527 1.00 0.00 O ATOM 970 CB PHE A 99 -4.191 13.810 -7.933 1.00 0.00 C ATOM 971 CG PHE A 99 -4.516 13.574 -6.467 1.00 0.00 C ATOM 972 CD1 PHE A 99 -4.027 12.436 -5.813 1.00 0.00 C ATOM 973 CD2 PHE A 99 -5.331 14.475 -5.771 1.00 0.00 C ATOM 974 CE1 PHE A 99 -4.347 12.205 -4.475 1.00 0.00 C ATOM 975 CE2 PHE A 99 -5.646 14.246 -4.427 1.00 0.00 C ATOM 976 CZ PHE A 99 -5.155 13.110 -3.780 1.00 0.00 C ATOM 0 H PHE A 99 -6.218 14.685 -8.972 1.00 0.00 H new ATOM 0 HA PHE A 99 -4.662 12.686 -9.793 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.139 13.597 -8.122 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.355 14.857 -8.188 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.401 11.736 -6.346 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.718 15.350 -6.273 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.970 11.325 -3.975 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.268 14.947 -3.891 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.399 12.931 -2.743 1.00 0.00 H new ATOM 986 N SER A 100 -6.024 11.524 -7.072 1.00 0.00 N ATOM 987 CA SER A 100 -6.205 10.257 -6.343 1.00 0.00 C ATOM 988 C SER A 100 -6.775 9.215 -7.288 1.00 0.00 C ATOM 989 O SER A 100 -6.257 8.124 -7.462 1.00 0.00 O ATOM 990 CB SER A 100 -7.210 10.577 -5.238 1.00 0.00 C ATOM 991 OG SER A 100 -6.631 10.275 -3.975 1.00 0.00 O ATOM 0 H SER A 100 -6.520 12.326 -6.685 1.00 0.00 H new ATOM 0 HA SER A 100 -5.272 9.864 -5.939 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.491 11.629 -5.280 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.122 9.997 -5.381 1.00 0.00 H new ATOM 0 HG SER A 100 -5.895 10.897 -3.795 1.00 0.00 H new ATOM 997 N VAL A 101 -7.861 9.550 -7.885 1.00 0.00 N ATOM 998 CA VAL A 101 -8.521 8.602 -8.790 1.00 0.00 C ATOM 999 C VAL A 101 -8.112 8.797 -10.245 1.00 0.00 C ATOM 1000 O VAL A 101 -7.830 7.846 -10.943 1.00 0.00 O ATOM 1001 CB VAL A 101 -9.968 8.852 -8.556 1.00 0.00 C ATOM 1002 CG1 VAL A 101 -10.762 7.709 -9.175 1.00 0.00 C ATOM 1003 CG2 VAL A 101 -10.210 8.902 -7.043 1.00 0.00 C ATOM 0 H VAL A 101 -8.327 10.452 -7.784 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.241 7.567 -8.592 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.281 9.794 -9.006 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -11.827 7.876 -9.013 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -10.561 7.664 -10.245 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.467 6.768 -8.711 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -11.267 9.085 -6.849 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -9.918 7.951 -6.596 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.617 9.705 -6.606 1.00 0.00 H new ATOM 1013 N TYR A 102 -8.046 9.998 -10.723 1.00 0.00 N ATOM 1014 CA TYR A 102 -7.612 10.163 -12.131 1.00 0.00 C ATOM 1015 C TYR A 102 -6.281 9.425 -12.296 1.00 0.00 C ATOM 1016 O TYR A 102 -6.040 8.724 -13.271 1.00 0.00 O ATOM 1017 CB TYR A 102 -7.437 11.672 -12.318 1.00 0.00 C ATOM 1018 CG TYR A 102 -6.963 11.968 -13.722 1.00 0.00 C ATOM 1019 CD1 TYR A 102 -5.603 11.865 -14.036 1.00 0.00 C ATOM 1020 CD2 TYR A 102 -7.880 12.354 -14.707 1.00 0.00 C ATOM 1021 CE1 TYR A 102 -5.160 12.147 -15.333 1.00 0.00 C ATOM 1022 CE2 TYR A 102 -7.437 12.634 -16.005 1.00 0.00 C ATOM 1023 CZ TYR A 102 -6.076 12.531 -16.318 1.00 0.00 C ATOM 1024 OH TYR A 102 -5.640 12.809 -17.597 1.00 0.00 O ATOM 0 H TYR A 102 -8.267 10.856 -10.217 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.315 9.764 -12.863 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -8.382 12.182 -12.129 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.718 12.055 -11.594 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.895 11.568 -13.277 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -8.929 12.436 -14.465 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -4.110 12.068 -15.574 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -8.145 12.930 -16.765 1.00 0.00 H new ATOM 0 HH TYR A 102 -6.405 13.059 -18.156 1.00 0.00 H new ATOM 1034 N ASP A 103 -5.424 9.549 -11.317 1.00 0.00 N ATOM 1035 CA ASP A 103 -4.118 8.852 -11.387 1.00 0.00 C ATOM 1036 C ASP A 103 -4.326 7.349 -11.277 1.00 0.00 C ATOM 1037 O ASP A 103 -3.729 6.593 -12.014 1.00 0.00 O ATOM 1038 CB ASP A 103 -3.291 9.374 -10.214 1.00 0.00 C ATOM 1039 CG ASP A 103 -1.820 8.999 -10.415 1.00 0.00 C ATOM 1040 OD1 ASP A 103 -1.554 7.835 -10.660 1.00 0.00 O ATOM 1041 OD2 ASP A 103 -0.985 9.886 -10.320 1.00 0.00 O ATOM 0 H ASP A 103 -5.577 10.104 -10.475 1.00 0.00 H new ATOM 0 HA ASP A 103 -3.610 9.039 -12.333 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -3.393 10.456 -10.137 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -3.660 8.952 -9.279 1.00 0.00 H new ATOM 1046 N LEU A 104 -5.171 6.877 -10.389 1.00 0.00 N ATOM 1047 CA LEU A 104 -5.340 5.404 -10.345 1.00 0.00 C ATOM 1048 C LEU A 104 -6.189 4.962 -11.542 1.00 0.00 C ATOM 1049 O LEU A 104 -5.906 3.974 -12.175 1.00 0.00 O ATOM 1050 CB LEU A 104 -5.998 5.078 -9.001 1.00 0.00 C ATOM 1051 CG LEU A 104 -7.470 5.466 -9.014 1.00 0.00 C ATOM 1052 CD1 LEU A 104 -8.286 4.385 -9.720 1.00 0.00 C ATOM 1053 CD2 LEU A 104 -7.957 5.605 -7.571 1.00 0.00 C ATOM 0 H LEU A 104 -5.723 7.422 -9.727 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.393 4.869 -10.418 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.899 4.013 -8.791 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.484 5.610 -8.200 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.594 6.410 -9.545 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -9.338 4.669 -9.726 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.934 4.275 -10.746 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.169 3.438 -9.193 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.011 5.883 -7.568 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.831 4.655 -7.051 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.377 6.376 -7.064 1.00 0.00 H new ATOM 1065 N LEU A 105 -7.209 5.688 -11.889 1.00 0.00 N ATOM 1066 CA LEU A 105 -8.019 5.267 -13.069 1.00 0.00 C ATOM 1067 C LEU A 105 -7.105 5.054 -14.278 1.00 0.00 C ATOM 1068 O LEU A 105 -7.462 4.389 -15.230 1.00 0.00 O ATOM 1069 CB LEU A 105 -8.985 6.419 -13.340 1.00 0.00 C ATOM 1070 CG LEU A 105 -9.949 6.571 -12.168 1.00 0.00 C ATOM 1071 CD1 LEU A 105 -10.530 7.986 -12.163 1.00 0.00 C ATOM 1072 CD2 LEU A 105 -11.088 5.559 -12.308 1.00 0.00 C ATOM 0 H LEU A 105 -7.517 6.540 -11.420 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.548 4.332 -12.885 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.429 7.345 -13.488 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -9.541 6.231 -14.258 1.00 0.00 H new ATOM 0 HG LEU A 105 -9.413 6.393 -11.236 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -11.219 8.094 -11.325 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.722 8.711 -12.064 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -11.064 8.163 -13.097 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -11.777 5.668 -11.470 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -11.621 5.738 -13.242 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -10.679 4.549 -12.312 1.00 0.00 H new ATOM 1084 N ILE A 106 -5.931 5.622 -14.251 1.00 0.00 N ATOM 1085 CA ILE A 106 -4.999 5.461 -15.400 1.00 0.00 C ATOM 1086 C ILE A 106 -4.070 4.257 -15.179 1.00 0.00 C ATOM 1087 O ILE A 106 -3.830 3.475 -16.078 1.00 0.00 O ATOM 1088 CB ILE A 106 -4.224 6.782 -15.451 1.00 0.00 C ATOM 1089 CG1 ILE A 106 -4.795 7.664 -16.566 1.00 0.00 C ATOM 1090 CG2 ILE A 106 -2.740 6.531 -15.727 1.00 0.00 C ATOM 1091 CD1 ILE A 106 -5.272 8.992 -15.976 1.00 0.00 C ATOM 0 H ILE A 106 -5.577 6.191 -13.482 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.514 5.262 -16.340 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.325 7.279 -14.486 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.035 7.844 -17.326 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -5.623 7.155 -17.058 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.210 7.483 -15.759 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.323 5.909 -14.935 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.629 6.022 -16.684 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.678 9.618 -16.770 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -6.046 8.803 -15.232 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.433 9.503 -15.504 1.00 0.00 H new ATOM 1103 N ASN A 107 -3.522 4.118 -14.002 1.00 0.00 N ATOM 1104 CA ASN A 107 -2.587 2.990 -13.749 1.00 0.00 C ATOM 1105 C ASN A 107 -3.143 1.993 -12.719 1.00 0.00 C ATOM 1106 O ASN A 107 -2.573 0.943 -12.505 1.00 0.00 O ATOM 1107 CB ASN A 107 -1.330 3.668 -13.216 1.00 0.00 C ATOM 1108 CG ASN A 107 -1.700 4.665 -12.131 1.00 0.00 C ATOM 1109 OD1 ASN A 107 -1.558 5.858 -12.306 1.00 0.00 O ATOM 1110 ND2 ASN A 107 -2.157 4.216 -11.007 1.00 0.00 N ATOM 0 H ASN A 107 -3.682 4.737 -13.207 1.00 0.00 H new ATOM 0 HA ASN A 107 -2.411 2.402 -14.650 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -0.645 2.920 -12.817 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -0.809 4.177 -14.027 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -2.401 4.866 -10.260 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -2.273 3.212 -10.868 1.00 0.00 H new ATOM 1117 N VAL A 108 -4.244 2.293 -12.084 1.00 0.00 N ATOM 1118 CA VAL A 108 -4.802 1.329 -11.086 1.00 0.00 C ATOM 1119 C VAL A 108 -5.133 0.017 -11.783 1.00 0.00 C ATOM 1120 O VAL A 108 -5.313 -1.009 -11.159 1.00 0.00 O ATOM 1121 CB VAL A 108 -6.083 1.976 -10.557 1.00 0.00 C ATOM 1122 CG1 VAL A 108 -7.197 1.870 -11.608 1.00 0.00 C ATOM 1123 CG2 VAL A 108 -6.529 1.260 -9.281 1.00 0.00 C ATOM 0 H VAL A 108 -4.778 3.153 -12.209 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.098 1.117 -10.281 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.886 3.026 -10.342 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -8.106 2.333 -11.223 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.887 2.381 -12.519 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.390 0.820 -11.829 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -7.442 1.722 -8.905 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.718 0.209 -9.500 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.746 1.338 -8.527 1.00 0.00 H new ATOM 1133 N SER A 109 -5.231 0.056 -13.082 1.00 0.00 N ATOM 1134 CA SER A 109 -5.570 -1.183 -13.846 1.00 0.00 C ATOM 1135 C SER A 109 -4.860 -2.414 -13.273 1.00 0.00 C ATOM 1136 O SER A 109 -5.308 -3.528 -13.456 1.00 0.00 O ATOM 1137 CB SER A 109 -5.118 -0.912 -15.280 1.00 0.00 C ATOM 1138 OG SER A 109 -5.958 -1.622 -16.181 1.00 0.00 O ATOM 0 H SER A 109 -5.091 0.891 -13.651 1.00 0.00 H new ATOM 0 HA SER A 109 -6.636 -1.402 -13.788 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.161 0.157 -15.491 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.081 -1.222 -15.411 1.00 0.00 H new ATOM 0 HG SER A 109 -5.671 -1.448 -17.102 1.00 0.00 H new ATOM 1144 N SER A 110 -3.775 -2.240 -12.572 1.00 0.00 N ATOM 1145 CA SER A 110 -3.082 -3.428 -11.990 1.00 0.00 C ATOM 1146 C SER A 110 -3.874 -3.985 -10.805 1.00 0.00 C ATOM 1147 O SER A 110 -3.393 -4.835 -10.081 1.00 0.00 O ATOM 1148 CB SER A 110 -1.733 -2.917 -11.501 1.00 0.00 C ATOM 1149 OG SER A 110 -0.700 -3.748 -12.014 1.00 0.00 O ATOM 0 H SER A 110 -3.340 -1.338 -12.377 1.00 0.00 H new ATOM 0 HA SER A 110 -2.982 -4.227 -12.725 1.00 0.00 H new ATOM 0 HB2 SER A 110 -1.582 -1.888 -11.826 1.00 0.00 H new ATOM 0 HB3 SER A 110 -1.706 -2.915 -10.411 1.00 0.00 H new ATOM 0 HG SER A 110 -0.920 -4.015 -12.931 1.00 0.00 H new ATOM 1155 N THR A 111 -5.075 -3.518 -10.582 1.00 0.00 N ATOM 1156 CA THR A 111 -5.849 -4.046 -9.421 1.00 0.00 C ATOM 1157 C THR A 111 -6.092 -5.553 -9.581 1.00 0.00 C ATOM 1158 O THR A 111 -6.536 -6.217 -8.665 1.00 0.00 O ATOM 1159 CB THR A 111 -7.169 -3.284 -9.421 1.00 0.00 C ATOM 1160 OG1 THR A 111 -8.094 -3.944 -8.567 1.00 0.00 O ATOM 1161 CG2 THR A 111 -7.719 -3.241 -10.838 1.00 0.00 C ATOM 0 H THR A 111 -5.546 -2.807 -11.142 1.00 0.00 H new ATOM 0 HA THR A 111 -5.311 -3.910 -8.483 1.00 0.00 H new ATOM 0 HB THR A 111 -7.010 -2.267 -9.061 1.00 0.00 H new ATOM 0 HG1 THR A 111 -8.943 -3.455 -8.564 1.00 0.00 H new ATOM 0 HG21 THR A 111 -8.664 -2.697 -10.845 1.00 0.00 H new ATOM 0 HG22 THR A 111 -7.005 -2.738 -11.490 1.00 0.00 H new ATOM 0 HG23 THR A 111 -7.883 -4.258 -11.196 1.00 0.00 H new ATOM 1169 N VAL A 112 -5.810 -6.088 -10.741 1.00 0.00 N ATOM 1170 CA VAL A 112 -6.010 -7.550 -11.003 1.00 0.00 C ATOM 1171 C VAL A 112 -7.501 -7.903 -10.982 1.00 0.00 C ATOM 1172 O VAL A 112 -8.017 -8.498 -11.908 1.00 0.00 O ATOM 1173 CB VAL A 112 -5.226 -8.280 -9.896 1.00 0.00 C ATOM 1174 CG1 VAL A 112 -5.893 -9.618 -9.558 1.00 0.00 C ATOM 1175 CG2 VAL A 112 -3.801 -8.545 -10.386 1.00 0.00 C ATOM 0 H VAL A 112 -5.442 -5.564 -11.535 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.651 -7.845 -11.989 1.00 0.00 H new ATOM 0 HB VAL A 112 -5.212 -7.655 -9.003 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -5.326 -10.120 -8.774 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -6.911 -9.440 -9.212 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -5.917 -10.247 -10.448 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.239 -9.062 -9.608 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -3.834 -9.165 -11.282 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -3.314 -7.598 -10.617 1.00 0.00 H new ATOM 1185 N GLY A 113 -8.197 -7.547 -9.944 1.00 0.00 N ATOM 1186 CA GLY A 113 -9.649 -7.870 -9.883 1.00 0.00 C ATOM 1187 C GLY A 113 -10.280 -7.208 -8.660 1.00 0.00 C ATOM 1188 O GLY A 113 -11.460 -6.923 -8.640 1.00 0.00 O ATOM 0 H GLY A 113 -7.827 -7.047 -9.136 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -10.145 -7.525 -10.790 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -9.788 -8.950 -9.835 1.00 0.00 H new ATOM 1192 N ARG A 114 -9.512 -6.968 -7.633 1.00 0.00 N ATOM 1193 CA ARG A 114 -10.073 -6.343 -6.428 1.00 0.00 C ATOM 1194 C ARG A 114 -9.117 -5.295 -5.858 1.00 0.00 C ATOM 1195 O ARG A 114 -7.913 -5.424 -5.951 1.00 0.00 O ATOM 1196 CB ARG A 114 -10.244 -7.496 -5.457 1.00 0.00 C ATOM 1197 CG ARG A 114 -11.196 -7.085 -4.332 1.00 0.00 C ATOM 1198 CD ARG A 114 -10.883 -7.901 -3.075 1.00 0.00 C ATOM 1199 NE ARG A 114 -11.984 -7.582 -2.125 1.00 0.00 N ATOM 1200 CZ ARG A 114 -12.161 -8.321 -1.063 1.00 0.00 C ATOM 1201 NH1 ARG A 114 -12.699 -9.505 -1.175 1.00 0.00 N ATOM 1202 NH2 ARG A 114 -11.800 -7.876 0.110 1.00 0.00 N ATOM 0 H ARG A 114 -8.516 -7.183 -7.587 1.00 0.00 H new ATOM 0 HA ARG A 114 -11.008 -5.820 -6.629 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -10.637 -8.368 -5.979 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -9.277 -7.782 -5.042 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -11.091 -6.020 -4.123 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -12.229 -7.249 -4.637 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -10.849 -8.968 -3.295 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -9.912 -7.630 -2.660 1.00 0.00 H new ATOM 0 HE ARG A 114 -12.599 -6.788 -2.303 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -12.981 -9.852 -2.092 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -12.838 -10.083 -0.346 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -11.380 -6.951 0.197 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -11.938 -8.454 0.939 1.00 0.00 H new ATOM 1216 N ALA A 115 -9.645 -4.262 -5.264 1.00 0.00 N ATOM 1217 CA ALA A 115 -8.764 -3.212 -4.686 1.00 0.00 C ATOM 1218 C ALA A 115 -9.494 -2.462 -3.572 1.00 0.00 C ATOM 1219 O ALA A 115 -10.201 -1.505 -3.815 1.00 0.00 O ATOM 1220 CB ALA A 115 -8.454 -2.269 -5.849 1.00 0.00 C ATOM 0 H ALA A 115 -10.646 -4.100 -5.154 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.859 -3.631 -4.247 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.806 -1.464 -5.502 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -7.952 -2.823 -6.642 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.383 -1.847 -6.233 1.00 0.00 H new ATOM 1226 N TYR A 116 -9.324 -2.885 -2.349 1.00 0.00 N ATOM 1227 CA TYR A 116 -10.004 -2.184 -1.225 1.00 0.00 C ATOM 1228 C TYR A 116 -9.375 -0.805 -1.029 1.00 0.00 C ATOM 1229 O TYR A 116 -8.199 -0.682 -0.755 1.00 0.00 O ATOM 1230 CB TYR A 116 -9.768 -3.064 0.003 1.00 0.00 C ATOM 1231 CG TYR A 116 -10.839 -2.785 1.032 1.00 0.00 C ATOM 1232 CD1 TYR A 116 -10.646 -1.782 1.990 1.00 0.00 C ATOM 1233 CD2 TYR A 116 -12.025 -3.530 1.025 1.00 0.00 C ATOM 1234 CE1 TYR A 116 -11.641 -1.524 2.941 1.00 0.00 C ATOM 1235 CE2 TYR A 116 -13.018 -3.271 1.976 1.00 0.00 C ATOM 1236 CZ TYR A 116 -12.827 -2.268 2.934 1.00 0.00 C ATOM 1237 OH TYR A 116 -13.809 -2.013 3.872 1.00 0.00 O ATOM 0 H TYR A 116 -8.746 -3.682 -2.081 1.00 0.00 H new ATOM 0 HA TYR A 116 -11.068 -2.034 -1.409 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -9.786 -4.116 -0.281 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -8.783 -2.864 0.424 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -9.731 -1.208 1.995 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -12.173 -4.304 0.286 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -11.493 -0.751 3.680 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -13.933 -3.845 1.971 1.00 0.00 H new ATOM 0 HH TYR A 116 -14.566 -2.618 3.725 1.00 0.00 H new ATOM 1247 N THR A 117 -10.147 0.235 -1.181 1.00 0.00 N ATOM 1248 CA THR A 117 -9.589 1.606 -1.018 1.00 0.00 C ATOM 1249 C THR A 117 -9.470 1.966 0.462 1.00 0.00 C ATOM 1250 O THR A 117 -10.450 2.042 1.177 1.00 0.00 O ATOM 1251 CB THR A 117 -10.594 2.526 -1.711 1.00 0.00 C ATOM 1252 OG1 THR A 117 -10.854 2.039 -3.020 1.00 0.00 O ATOM 1253 CG2 THR A 117 -10.019 3.941 -1.794 1.00 0.00 C ATOM 0 H THR A 117 -11.140 0.195 -1.411 1.00 0.00 H new ATOM 0 HA THR A 117 -8.589 1.693 -1.443 1.00 0.00 H new ATOM 0 HB THR A 117 -11.523 2.547 -1.141 1.00 0.00 H new ATOM 0 HG1 THR A 117 -11.500 2.627 -3.465 1.00 0.00 H new ATOM 0 HG21 THR A 117 -10.736 4.597 -2.288 1.00 0.00 H new ATOM 0 HG22 THR A 117 -9.820 4.313 -0.789 1.00 0.00 H new ATOM 0 HG23 THR A 117 -9.090 3.923 -2.364 1.00 0.00 H new ATOM 1261 N LEU A 118 -8.273 2.202 0.925 1.00 0.00 N ATOM 1262 CA LEU A 118 -8.082 2.572 2.356 1.00 0.00 C ATOM 1263 C LEU A 118 -8.414 4.039 2.560 1.00 0.00 C ATOM 1264 O LEU A 118 -7.649 4.776 3.147 1.00 0.00 O ATOM 1265 CB LEU A 118 -6.604 2.308 2.643 1.00 0.00 C ATOM 1266 CG LEU A 118 -6.460 1.649 4.015 1.00 0.00 C ATOM 1267 CD1 LEU A 118 -5.924 0.228 3.844 1.00 0.00 C ATOM 1268 CD2 LEU A 118 -5.486 2.463 4.870 1.00 0.00 C ATOM 0 H LEU A 118 -7.417 2.154 0.372 1.00 0.00 H new ATOM 0 HA LEU A 118 -8.730 2.002 3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -6.183 1.663 1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.045 3.243 2.617 1.00 0.00 H new ATOM 0 HG LEU A 118 -7.433 1.613 4.506 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -5.821 -0.242 4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -6.617 -0.351 3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -4.951 0.263 3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -5.382 1.995 5.849 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.513 2.498 4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -5.868 3.477 4.992 1.00 0.00 H new ATOM 1280 N GLY A 119 -9.547 4.475 2.079 1.00 0.00 N ATOM 1281 CA GLY A 119 -9.917 5.904 2.242 1.00 0.00 C ATOM 1282 C GLY A 119 -8.974 6.749 1.404 1.00 0.00 C ATOM 1283 O GLY A 119 -9.373 7.463 0.505 1.00 0.00 O ATOM 0 H GLY A 119 -10.229 3.902 1.582 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -10.949 6.065 1.929 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -9.853 6.194 3.291 1.00 0.00 H new ATOM 1287 N THR A 120 -7.719 6.658 1.701 1.00 0.00 N ATOM 1288 CA THR A 120 -6.701 7.438 0.940 1.00 0.00 C ATOM 1289 C THR A 120 -5.755 6.494 0.193 1.00 0.00 C ATOM 1290 O THR A 120 -4.956 6.918 -0.619 1.00 0.00 O ATOM 1291 CB THR A 120 -5.929 8.236 1.996 1.00 0.00 C ATOM 1292 OG1 THR A 120 -6.500 8.010 3.279 1.00 0.00 O ATOM 1293 CG2 THR A 120 -5.994 9.725 1.660 1.00 0.00 C ATOM 0 H THR A 120 -7.343 6.072 2.446 1.00 0.00 H new ATOM 0 HA THR A 120 -7.161 8.086 0.194 1.00 0.00 H new ATOM 0 HB THR A 120 -4.888 7.912 2.004 1.00 0.00 H new ATOM 0 HG1 THR A 120 -6.003 8.520 3.953 1.00 0.00 H new ATOM 0 HG21 THR A 120 -5.445 10.292 2.412 1.00 0.00 H new ATOM 0 HG22 THR A 120 -5.550 9.896 0.680 1.00 0.00 H new ATOM 0 HG23 THR A 120 -7.034 10.050 1.649 1.00 0.00 H new ATOM 1301 N LYS A 121 -5.825 5.221 0.473 1.00 0.00 N ATOM 1302 CA LYS A 121 -4.911 4.260 -0.212 1.00 0.00 C ATOM 1303 C LYS A 121 -5.695 3.196 -0.981 1.00 0.00 C ATOM 1304 O LYS A 121 -6.860 3.350 -1.288 1.00 0.00 O ATOM 1305 CB LYS A 121 -4.115 3.613 0.911 1.00 0.00 C ATOM 1306 CG LYS A 121 -2.619 3.756 0.627 1.00 0.00 C ATOM 1307 CD LYS A 121 -1.886 4.123 1.920 1.00 0.00 C ATOM 1308 CE LYS A 121 -0.392 3.838 1.753 1.00 0.00 C ATOM 1309 NZ LYS A 121 0.209 4.131 3.084 1.00 0.00 N ATOM 0 H LYS A 121 -6.472 4.805 1.143 1.00 0.00 H new ATOM 0 HA LYS A 121 -4.278 4.763 -0.943 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -4.361 4.083 1.863 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -4.380 2.559 0.998 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -2.224 2.823 0.225 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -2.453 4.524 -0.128 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -2.043 5.176 2.154 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -2.287 3.548 2.755 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -0.218 2.802 1.461 1.00 0.00 H new ATOM 0 HE3 LYS A 121 0.045 4.466 0.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 1.234 3.958 3.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 0.034 5.126 3.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -0.221 3.514 3.802 1.00 0.00 H new ATOM 1323 N PHE A 122 -5.034 2.122 -1.302 1.00 0.00 N ATOM 1324 CA PHE A 122 -5.683 1.019 -2.071 1.00 0.00 C ATOM 1325 C PHE A 122 -5.207 -0.337 -1.543 1.00 0.00 C ATOM 1326 O PHE A 122 -4.092 -0.465 -1.075 1.00 0.00 O ATOM 1327 CB PHE A 122 -5.143 1.199 -3.474 1.00 0.00 C ATOM 1328 CG PHE A 122 -6.249 1.437 -4.473 1.00 0.00 C ATOM 1329 CD1 PHE A 122 -6.948 2.645 -4.464 1.00 0.00 C ATOM 1330 CD2 PHE A 122 -6.566 0.447 -5.413 1.00 0.00 C ATOM 1331 CE1 PHE A 122 -7.971 2.867 -5.392 1.00 0.00 C ATOM 1332 CE2 PHE A 122 -7.588 0.670 -6.342 1.00 0.00 C ATOM 1333 CZ PHE A 122 -8.293 1.879 -6.330 1.00 0.00 C ATOM 0 H PHE A 122 -4.057 1.956 -1.062 1.00 0.00 H new ATOM 0 HA PHE A 122 -6.771 1.047 -2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -4.450 2.040 -3.492 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -4.577 0.313 -3.762 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -6.699 3.408 -3.741 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -6.022 -0.486 -5.420 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -8.513 3.801 -5.385 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -7.833 -0.091 -7.068 1.00 0.00 H new ATOM 0 HZ PHE A 122 -9.085 2.050 -7.044 1.00 0.00 H new ATOM 1343 N THR A 123 -6.015 -1.356 -1.641 1.00 0.00 N ATOM 1344 CA THR A 123 -5.580 -2.681 -1.170 1.00 0.00 C ATOM 1345 C THR A 123 -6.005 -3.762 -2.176 1.00 0.00 C ATOM 1346 O THR A 123 -7.174 -4.056 -2.332 1.00 0.00 O ATOM 1347 CB THR A 123 -6.256 -2.856 0.202 1.00 0.00 C ATOM 1348 OG1 THR A 123 -5.279 -2.720 1.224 1.00 0.00 O ATOM 1349 CG2 THR A 123 -6.917 -4.235 0.318 1.00 0.00 C ATOM 0 H THR A 123 -6.958 -1.319 -2.029 1.00 0.00 H new ATOM 0 HA THR A 123 -4.497 -2.770 -1.081 1.00 0.00 H new ATOM 0 HB THR A 123 -7.026 -2.092 0.308 1.00 0.00 H new ATOM 0 HG1 THR A 123 -5.705 -2.829 2.100 1.00 0.00 H new ATOM 0 HG21 THR A 123 -7.387 -4.332 1.297 1.00 0.00 H new ATOM 0 HG22 THR A 123 -7.673 -4.343 -0.460 1.00 0.00 H new ATOM 0 HG23 THR A 123 -6.162 -5.012 0.200 1.00 0.00 H new ATOM 1357 N ILE A 124 -5.060 -4.354 -2.855 1.00 0.00 N ATOM 1358 CA ILE A 124 -5.400 -5.412 -3.850 1.00 0.00 C ATOM 1359 C ILE A 124 -4.855 -6.766 -3.388 1.00 0.00 C ATOM 1360 O ILE A 124 -3.925 -6.838 -2.607 1.00 0.00 O ATOM 1361 CB ILE A 124 -4.711 -4.971 -5.140 1.00 0.00 C ATOM 1362 CG1 ILE A 124 -5.282 -3.624 -5.592 1.00 0.00 C ATOM 1363 CG2 ILE A 124 -4.948 -6.015 -6.231 1.00 0.00 C ATOM 1364 CD1 ILE A 124 -4.570 -2.491 -4.852 1.00 0.00 C ATOM 0 H ILE A 124 -4.065 -4.150 -2.763 1.00 0.00 H new ATOM 0 HA ILE A 124 -6.476 -5.530 -3.979 1.00 0.00 H new ATOM 0 HB ILE A 124 -3.641 -4.870 -4.960 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -5.154 -3.506 -6.668 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.353 -3.586 -5.392 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -4.456 -5.699 -7.151 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -4.539 -6.974 -5.912 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -6.018 -6.118 -6.410 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -4.978 -1.533 -5.175 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.721 -2.606 -3.779 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -3.503 -2.525 -5.074 1.00 0.00 H new ATOM 1376 N THR A 125 -5.421 -7.841 -3.866 1.00 0.00 N ATOM 1377 CA THR A 125 -4.928 -9.186 -3.452 1.00 0.00 C ATOM 1378 C THR A 125 -5.078 -10.183 -4.602 1.00 0.00 C ATOM 1379 O THR A 125 -5.694 -9.898 -5.611 1.00 0.00 O ATOM 1380 CB THR A 125 -5.811 -9.586 -2.268 1.00 0.00 C ATOM 1381 OG1 THR A 125 -5.306 -10.780 -1.686 1.00 0.00 O ATOM 1382 CG2 THR A 125 -7.245 -9.814 -2.751 1.00 0.00 C ATOM 0 H THR A 125 -6.201 -7.846 -4.523 1.00 0.00 H new ATOM 0 HA THR A 125 -3.872 -9.174 -3.183 1.00 0.00 H new ATOM 0 HB THR A 125 -5.806 -8.789 -1.524 1.00 0.00 H new ATOM 0 HG1 THR A 125 -5.869 -11.037 -0.926 1.00 0.00 H new ATOM 0 HG21 THR A 125 -7.872 -10.099 -1.906 1.00 0.00 H new ATOM 0 HG22 THR A 125 -7.630 -8.896 -3.195 1.00 0.00 H new ATOM 0 HG23 THR A 125 -7.256 -10.610 -3.496 1.00 0.00 H new ATOM 1390 N SER A 126 -4.513 -11.349 -4.460 1.00 0.00 N ATOM 1391 CA SER A 126 -4.610 -12.367 -5.547 1.00 0.00 C ATOM 1392 C SER A 126 -5.827 -13.268 -5.336 1.00 0.00 C ATOM 1393 O SER A 126 -6.436 -13.736 -6.276 1.00 0.00 O ATOM 1394 CB SER A 126 -3.326 -13.179 -5.432 1.00 0.00 C ATOM 1395 OG SER A 126 -2.823 -13.446 -6.732 1.00 0.00 O ATOM 0 H SER A 126 -3.987 -11.643 -3.637 1.00 0.00 H new ATOM 0 HA SER A 126 -4.726 -11.908 -6.529 1.00 0.00 H new ATOM 0 HB2 SER A 126 -2.586 -12.631 -4.849 1.00 0.00 H new ATOM 0 HB3 SER A 126 -3.519 -14.113 -4.905 1.00 0.00 H new ATOM 0 HG SER A 126 -1.850 -13.554 -6.690 1.00 0.00 H new ATOM 1401 N GLU A 127 -6.179 -13.519 -4.107 1.00 0.00 N ATOM 1402 CA GLU A 127 -7.353 -14.398 -3.831 1.00 0.00 C ATOM 1403 C GLU A 127 -8.654 -13.592 -3.876 1.00 0.00 C ATOM 1404 O GLU A 127 -9.616 -13.917 -3.208 1.00 0.00 O ATOM 1405 CB GLU A 127 -7.114 -14.942 -2.422 1.00 0.00 C ATOM 1406 CG GLU A 127 -5.943 -15.925 -2.441 1.00 0.00 C ATOM 1407 CD GLU A 127 -5.914 -16.708 -1.128 1.00 0.00 C ATOM 1408 OE1 GLU A 127 -6.507 -16.243 -0.170 1.00 0.00 O ATOM 1409 OE2 GLU A 127 -5.297 -17.761 -1.102 1.00 0.00 O ATOM 0 H GLU A 127 -5.706 -13.154 -3.280 1.00 0.00 H new ATOM 0 HA GLU A 127 -7.451 -15.193 -4.571 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -6.902 -14.122 -1.736 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -8.013 -15.439 -2.056 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -6.043 -16.610 -3.283 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -5.005 -15.387 -2.577 1.00 0.00 H new ATOM 1416 N LEU A 128 -8.694 -12.540 -4.649 1.00 0.00 N ATOM 1417 CA LEU A 128 -9.925 -11.720 -4.727 1.00 0.00 C ATOM 1418 C LEU A 128 -11.158 -12.611 -4.892 1.00 0.00 C ATOM 1419 O LEU A 128 -11.056 -13.814 -5.025 1.00 0.00 O ATOM 1420 CB LEU A 128 -9.739 -10.830 -5.956 1.00 0.00 C ATOM 1421 CG LEU A 128 -9.542 -11.701 -7.198 1.00 0.00 C ATOM 1422 CD1 LEU A 128 -10.872 -11.835 -7.942 1.00 0.00 C ATOM 1423 CD2 LEU A 128 -8.506 -11.051 -8.118 1.00 0.00 C ATOM 0 H LEU A 128 -7.921 -12.216 -5.230 1.00 0.00 H new ATOM 0 HA LEU A 128 -10.080 -11.135 -3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -10.609 -10.186 -6.086 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -8.877 -10.177 -5.817 1.00 0.00 H new ATOM 0 HG LEU A 128 -9.192 -12.689 -6.898 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -10.733 -12.455 -8.827 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -11.610 -12.298 -7.287 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -11.222 -10.847 -8.243 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -8.365 -11.671 -9.003 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -8.855 -10.063 -8.419 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -7.558 -10.955 -7.588 1.00 0.00 H new TER 1435 LEU A 128