USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 701 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 THR OG1 : rot -120:sc= 0.245 USER MOD Set 1.2: A 20 SER OG : rot 51:sc= 1.09 USER MOD Set 1.3: A 21 SER OG : rot 180:sc= 0.909 USER MOD Set 2.1: A 8 GLN : amide:sc= -0.0344 K(o=0.6,f=-1.8!) USER MOD Set 2.2: A 89 THR OG1 : rot 53:sc= 0.631 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 79:sc= 0.755 USER MOD Single : A 27 THR OG1 : rot 56:sc= 1.27 USER MOD Single : A 30 ASN : amide:sc=-0.00439 K(o=-0.0044,f=-0.54) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0946 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 145:sc= 1.79 USER MOD Single : A 40 THR OG1 : rot -160:sc= 0.874 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -79:sc= 0.0259 USER MOD Single : A 61 TYR OH : rot -23:sc= 1.23 USER MOD Single : A 62 TYR OH : rot 165:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -18:sc= 0.72 USER MOD Single : A 79 THR OG1 : rot 150:sc= -0.0477 USER MOD Single : A 82 ASN : amide:sc= -0.185 X(o=-0.19,f=-0.29) USER MOD Single : A 86 SER OG : rot -135:sc= 0.558 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 135:sc= 0.141! USER MOD Single : A 93 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.26) USER MOD Single : A 94 GLN : amide:sc= 1.19 K(o=1.2,f=-0.0086) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.357 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.071 5.202 8.363 1.00 0.00 N ATOM 2 CA MET A 1 -23.488 5.542 8.185 1.00 0.00 C ATOM 3 C MET A 1 -23.768 6.411 6.951 1.00 0.00 C ATOM 4 O MET A 1 -24.861 6.979 6.873 1.00 0.00 O ATOM 5 CB MET A 1 -24.028 6.206 9.461 1.00 0.00 C ATOM 6 CG MET A 1 -23.503 7.619 9.750 1.00 0.00 C ATOM 7 SD MET A 1 -24.555 8.547 10.900 1.00 0.00 S ATOM 8 CE MET A 1 -23.326 9.115 12.102 1.00 0.00 C ATOM 0 H1 MET A 1 -21.959 4.615 9.214 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.733 4.675 7.532 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.515 6.075 8.469 1.00 0.00 H new ATOM 0 HA MET A 1 -24.015 4.605 8.004 1.00 0.00 H new ATOM 0 HB2 MET A 1 -25.115 6.249 9.394 1.00 0.00 H new ATOM 0 HB3 MET A 1 -23.786 5.568 10.311 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.497 7.549 10.163 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.425 8.170 8.813 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.819 9.703 12.876 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.836 8.254 12.557 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.582 9.731 11.598 1.00 0.00 H new ATOM 20 N ARG A 2 -22.839 6.572 5.998 1.00 0.00 N ATOM 21 CA ARG A 2 -22.945 7.557 4.924 1.00 0.00 C ATOM 22 C ARG A 2 -22.359 7.011 3.627 1.00 0.00 C ATOM 23 O ARG A 2 -21.560 6.070 3.645 1.00 0.00 O ATOM 24 CB ARG A 2 -22.232 8.853 5.359 1.00 0.00 C ATOM 25 CG ARG A 2 -20.698 8.746 5.381 1.00 0.00 C ATOM 26 CD ARG A 2 -20.095 9.803 6.309 1.00 0.00 C ATOM 27 NE ARG A 2 -18.638 9.659 6.403 1.00 0.00 N ATOM 28 CZ ARG A 2 -17.766 10.607 6.741 1.00 0.00 C ATOM 29 NH1 ARG A 2 -18.190 11.709 7.348 1.00 0.00 N ATOM 30 NH2 ARG A 2 -16.484 10.441 6.439 1.00 0.00 N ATOM 0 H ARG A 2 -21.986 6.014 5.955 1.00 0.00 H new ATOM 0 HA ARG A 2 -23.996 7.776 4.734 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -22.520 9.658 4.683 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -22.581 9.131 6.353 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -20.403 7.751 5.714 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -20.305 8.874 4.372 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -20.341 10.798 5.939 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -20.537 9.713 7.302 1.00 0.00 H new ATOM 0 HE ARG A 2 -18.254 8.739 6.188 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -19.182 11.828 7.554 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -17.524 12.437 7.608 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -16.179 9.597 5.955 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -15.804 11.158 6.691 1.00 0.00 H new ATOM 44 N GLY A 3 -22.705 7.646 2.511 1.00 0.00 N ATOM 45 CA GLY A 3 -22.110 7.357 1.218 1.00 0.00 C ATOM 46 C GLY A 3 -20.612 7.647 1.250 1.00 0.00 C ATOM 47 O GLY A 3 -20.192 8.649 1.834 1.00 0.00 O ATOM 0 H GLY A 3 -23.412 8.381 2.483 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -22.280 6.313 0.957 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -22.588 7.961 0.447 1.00 0.00 H new ATOM 51 N SER A 4 -19.829 6.795 0.585 1.00 0.00 N ATOM 52 CA SER A 4 -18.381 6.903 0.411 1.00 0.00 C ATOM 53 C SER A 4 -17.692 7.219 1.752 1.00 0.00 C ATOM 54 O SER A 4 -17.191 8.326 1.939 1.00 0.00 O ATOM 55 CB SER A 4 -18.020 7.885 -0.739 1.00 0.00 C ATOM 56 OG SER A 4 -19.131 8.493 -1.390 1.00 0.00 O ATOM 0 H SER A 4 -20.210 5.966 0.129 1.00 0.00 H new ATOM 0 HA SER A 4 -17.988 5.937 0.095 1.00 0.00 H new ATOM 0 HB2 SER A 4 -17.381 8.671 -0.337 1.00 0.00 H new ATOM 0 HB3 SER A 4 -17.433 7.347 -1.484 1.00 0.00 H new ATOM 0 HG SER A 4 -18.809 9.093 -2.095 1.00 0.00 H new ATOM 62 N GLU A 5 -17.688 6.261 2.689 1.00 0.00 N ATOM 63 CA GLU A 5 -17.260 6.444 4.078 1.00 0.00 C ATOM 64 C GLU A 5 -15.915 7.189 4.129 1.00 0.00 C ATOM 65 O GLU A 5 -15.831 8.329 4.609 1.00 0.00 O ATOM 66 CB GLU A 5 -17.214 5.060 4.769 1.00 0.00 C ATOM 67 CG GLU A 5 -18.056 4.931 6.049 1.00 0.00 C ATOM 68 CD GLU A 5 -17.661 5.897 7.168 1.00 0.00 C ATOM 69 OE1 GLU A 5 -17.945 7.104 7.038 1.00 0.00 O ATOM 70 OE2 GLU A 5 -17.147 5.447 8.222 1.00 0.00 O ATOM 0 H GLU A 5 -17.993 5.308 2.492 1.00 0.00 H new ATOM 0 HA GLU A 5 -17.971 7.066 4.622 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.550 4.306 4.057 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.177 4.829 5.012 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -19.104 5.095 5.798 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -17.974 3.910 6.422 1.00 0.00 H new ATOM 77 N VAL A 6 -14.884 6.599 3.516 1.00 0.00 N ATOM 78 CA VAL A 6 -13.639 7.264 3.172 1.00 0.00 C ATOM 79 C VAL A 6 -13.231 6.753 1.775 1.00 0.00 C ATOM 80 O VAL A 6 -13.283 5.540 1.545 1.00 0.00 O ATOM 81 CB VAL A 6 -12.574 6.943 4.241 1.00 0.00 C ATOM 82 CG1 VAL A 6 -11.263 7.659 3.916 1.00 0.00 C ATOM 83 CG2 VAL A 6 -12.986 7.340 5.670 1.00 0.00 C ATOM 0 H VAL A 6 -14.901 5.617 3.241 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.745 8.348 3.146 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.458 5.860 4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.521 7.423 4.679 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.900 7.329 2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.432 8.736 3.895 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.186 7.083 6.364 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.170 8.414 5.711 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -13.894 6.805 5.949 1.00 0.00 H new ATOM 93 N PRO A 7 -12.823 7.626 0.834 1.00 0.00 N ATOM 94 CA PRO A 7 -12.321 7.214 -0.475 1.00 0.00 C ATOM 95 C PRO A 7 -10.867 6.716 -0.396 1.00 0.00 C ATOM 96 O PRO A 7 -10.057 7.260 0.361 1.00 0.00 O ATOM 97 CB PRO A 7 -12.472 8.450 -1.362 1.00 0.00 C ATOM 98 CG PRO A 7 -12.383 9.627 -0.390 1.00 0.00 C ATOM 99 CD PRO A 7 -12.957 9.072 0.909 1.00 0.00 C ATOM 0 HA PRO A 7 -12.876 6.368 -0.880 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.686 8.497 -2.116 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -13.424 8.444 -1.893 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.354 9.962 -0.261 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.955 10.484 -0.746 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -12.420 9.467 1.771 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -14.002 9.359 1.026 1.00 0.00 H new ATOM 107 N GLN A 8 -10.521 5.700 -1.192 1.00 0.00 N ATOM 108 CA GLN A 8 -9.202 5.071 -1.275 1.00 0.00 C ATOM 109 C GLN A 8 -8.351 5.680 -2.393 1.00 0.00 C ATOM 110 O GLN A 8 -8.832 6.507 -3.170 1.00 0.00 O ATOM 111 CB GLN A 8 -9.370 3.534 -1.357 1.00 0.00 C ATOM 112 CG GLN A 8 -9.889 3.034 -2.718 1.00 0.00 C ATOM 113 CD GLN A 8 -9.171 1.805 -3.275 1.00 0.00 C ATOM 114 OE1 GLN A 8 -8.210 1.930 -4.021 1.00 0.00 O ATOM 115 NE2 GLN A 8 -9.605 0.590 -2.997 1.00 0.00 N ATOM 0 H GLN A 8 -11.191 5.272 -1.830 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.635 5.277 -0.367 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.410 3.062 -1.150 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.059 3.212 -0.576 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.950 2.803 -2.622 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.803 3.844 -3.442 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.405 0.464 -2.377 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.140 -0.223 -3.402 1.00 0.00 H new ATOM 124 N LEU A 9 -7.088 5.264 -2.497 1.00 0.00 N ATOM 125 CA LEU A 9 -6.245 5.531 -3.654 1.00 0.00 C ATOM 126 C LEU A 9 -6.659 4.563 -4.762 1.00 0.00 C ATOM 127 O LEU A 9 -6.066 3.498 -4.909 1.00 0.00 O ATOM 128 CB LEU A 9 -4.757 5.344 -3.301 1.00 0.00 C ATOM 129 CG LEU A 9 -4.167 6.427 -2.388 1.00 0.00 C ATOM 130 CD1 LEU A 9 -2.836 5.909 -1.836 1.00 0.00 C ATOM 131 CD2 LEU A 9 -3.984 7.741 -3.147 1.00 0.00 C ATOM 0 H LEU A 9 -6.620 4.725 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.373 6.562 -3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.633 4.375 -2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.180 5.315 -4.226 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.849 6.635 -1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.395 6.662 -1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.008 4.994 -1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.155 5.702 -2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.565 8.492 -2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.307 7.585 -3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.950 8.084 -3.518 1.00 0.00 H new ATOM 143 N THR A 10 -7.675 4.909 -5.548 1.00 0.00 N ATOM 144 CA THR A 10 -8.112 4.113 -6.691 1.00 0.00 C ATOM 145 C THR A 10 -6.942 3.892 -7.662 1.00 0.00 C ATOM 146 O THR A 10 -6.806 2.800 -8.204 1.00 0.00 O ATOM 147 CB THR A 10 -9.297 4.815 -7.372 1.00 0.00 C ATOM 148 OG1 THR A 10 -10.308 5.113 -6.426 1.00 0.00 O ATOM 149 CG2 THR A 10 -9.939 3.970 -8.472 1.00 0.00 C ATOM 0 H THR A 10 -8.223 5.758 -5.408 1.00 0.00 H new ATOM 0 HA THR A 10 -8.444 3.130 -6.356 1.00 0.00 H new ATOM 0 HB THR A 10 -8.886 5.722 -7.816 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.055 5.561 -6.875 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.770 4.520 -8.915 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.198 3.750 -9.241 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.308 3.037 -8.046 1.00 0.00 H new ATOM 157 N ASP A 11 -6.066 4.891 -7.799 1.00 0.00 N ATOM 158 CA ASP A 11 -4.893 4.934 -8.675 1.00 0.00 C ATOM 159 C ASP A 11 -3.728 4.063 -8.165 1.00 0.00 C ATOM 160 O ASP A 11 -2.628 4.113 -8.709 1.00 0.00 O ATOM 161 CB ASP A 11 -4.503 6.416 -8.792 1.00 0.00 C ATOM 162 CG ASP A 11 -3.346 6.710 -9.746 1.00 0.00 C ATOM 163 OD1 ASP A 11 -3.266 6.113 -10.841 1.00 0.00 O ATOM 164 OD2 ASP A 11 -2.530 7.593 -9.399 1.00 0.00 O ATOM 0 H ASP A 11 -6.165 5.752 -7.262 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.132 4.511 -9.651 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.376 6.980 -9.120 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.239 6.785 -7.801 1.00 0.00 H new ATOM 169 N LEU A 12 -3.941 3.291 -7.091 1.00 0.00 N ATOM 170 CA LEU A 12 -2.967 2.339 -6.557 1.00 0.00 C ATOM 171 C LEU A 12 -2.551 1.320 -7.623 1.00 0.00 C ATOM 172 O LEU A 12 -3.343 0.439 -7.967 1.00 0.00 O ATOM 173 CB LEU A 12 -3.547 1.650 -5.299 1.00 0.00 C ATOM 174 CG LEU A 12 -2.606 0.761 -4.461 1.00 0.00 C ATOM 175 CD1 LEU A 12 -2.384 -0.670 -4.993 1.00 0.00 C ATOM 176 CD2 LEU A 12 -1.289 1.506 -4.204 1.00 0.00 C ATOM 0 H LEU A 12 -4.813 3.314 -6.561 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.065 2.878 -6.267 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.942 2.427 -4.645 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.392 1.038 -5.613 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.120 0.585 -3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.707 -1.205 -4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.339 -1.194 -5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.949 -0.624 -5.992 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.625 0.877 -3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.813 1.742 -5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.493 2.429 -3.662 1.00 0.00 H new ATOM 188 N SER A 13 -1.302 1.393 -8.092 1.00 0.00 N ATOM 189 CA SER A 13 -0.639 0.311 -8.806 1.00 0.00 C ATOM 190 C SER A 13 0.690 -0.025 -8.140 1.00 0.00 C ATOM 191 O SER A 13 1.227 0.759 -7.351 1.00 0.00 O ATOM 192 CB SER A 13 -0.532 0.622 -10.316 1.00 0.00 C ATOM 193 OG SER A 13 0.655 1.308 -10.697 1.00 0.00 O ATOM 0 H SER A 13 -0.718 2.222 -7.982 1.00 0.00 H new ATOM 0 HA SER A 13 -1.246 -0.593 -8.744 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.589 -0.314 -10.871 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.393 1.221 -10.612 1.00 0.00 H new ATOM 0 HG SER A 13 1.399 0.672 -10.745 1.00 0.00 H new ATOM 199 N PHE A 14 1.250 -1.187 -8.479 1.00 0.00 N ATOM 200 CA PHE A 14 2.677 -1.426 -8.367 1.00 0.00 C ATOM 201 C PHE A 14 3.310 -1.031 -9.697 1.00 0.00 C ATOM 202 O PHE A 14 2.600 -0.832 -10.690 1.00 0.00 O ATOM 203 CB PHE A 14 2.931 -2.893 -8.012 1.00 0.00 C ATOM 204 CG PHE A 14 2.141 -3.399 -6.816 1.00 0.00 C ATOM 205 CD1 PHE A 14 1.815 -2.539 -5.746 1.00 0.00 C ATOM 206 CD2 PHE A 14 1.699 -4.734 -6.795 1.00 0.00 C ATOM 207 CE1 PHE A 14 1.035 -2.998 -4.674 1.00 0.00 C ATOM 208 CE2 PHE A 14 0.874 -5.178 -5.751 1.00 0.00 C ATOM 209 CZ PHE A 14 0.545 -4.309 -4.698 1.00 0.00 C ATOM 0 H PHE A 14 0.723 -1.983 -8.837 1.00 0.00 H new ATOM 0 HA PHE A 14 3.124 -0.832 -7.570 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.690 -3.510 -8.878 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.994 -3.026 -7.812 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.169 -1.519 -5.752 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.994 -5.415 -7.580 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.815 -2.348 -3.840 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.492 -6.188 -5.757 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.093 -4.656 -3.898 1.00 0.00 H new ATOM 219 N VAL A 15 4.627 -0.904 -9.716 1.00 0.00 N ATOM 220 CA VAL A 15 5.481 -0.776 -10.882 1.00 0.00 C ATOM 221 C VAL A 15 6.786 -1.508 -10.518 1.00 0.00 C ATOM 222 O VAL A 15 6.942 -1.950 -9.381 1.00 0.00 O ATOM 223 CB VAL A 15 5.698 0.719 -11.222 1.00 0.00 C ATOM 224 CG1 VAL A 15 4.551 1.279 -12.072 1.00 0.00 C ATOM 225 CG2 VAL A 15 5.905 1.652 -10.021 1.00 0.00 C ATOM 0 H VAL A 15 5.166 -0.887 -8.850 1.00 0.00 H new ATOM 0 HA VAL A 15 5.045 -1.215 -11.779 1.00 0.00 H new ATOM 0 HB VAL A 15 6.635 0.710 -11.779 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.739 2.330 -12.290 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.484 0.721 -13.006 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.613 1.184 -11.525 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.047 2.673 -10.374 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.030 1.611 -9.373 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.786 1.336 -9.462 1.00 0.00 H new ATOM 235 N ASP A 16 7.742 -1.597 -11.441 1.00 0.00 N ATOM 236 CA ASP A 16 9.144 -1.891 -11.172 1.00 0.00 C ATOM 237 C ASP A 16 9.274 -3.209 -10.414 1.00 0.00 C ATOM 238 O ASP A 16 9.829 -3.247 -9.320 1.00 0.00 O ATOM 239 CB ASP A 16 9.837 -0.716 -10.443 1.00 0.00 C ATOM 240 CG ASP A 16 9.601 0.672 -11.042 1.00 0.00 C ATOM 241 OD1 ASP A 16 9.391 0.780 -12.274 1.00 0.00 O ATOM 242 OD2 ASP A 16 9.596 1.649 -10.253 1.00 0.00 O ATOM 0 H ASP A 16 7.552 -1.461 -12.434 1.00 0.00 H new ATOM 0 HA ASP A 16 9.664 -2.010 -12.123 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.499 -0.706 -9.407 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.910 -0.906 -10.426 1.00 0.00 H new ATOM 247 N ILE A 17 8.746 -4.297 -10.981 1.00 0.00 N ATOM 248 CA ILE A 17 8.748 -5.625 -10.375 1.00 0.00 C ATOM 249 C ILE A 17 10.155 -6.238 -10.581 1.00 0.00 C ATOM 250 O ILE A 17 10.350 -7.220 -11.303 1.00 0.00 O ATOM 251 CB ILE A 17 7.608 -6.479 -10.992 1.00 0.00 C ATOM 252 CG1 ILE A 17 6.248 -5.758 -11.158 1.00 0.00 C ATOM 253 CG2 ILE A 17 7.402 -7.773 -10.190 1.00 0.00 C ATOM 254 CD1 ILE A 17 5.611 -5.214 -9.876 1.00 0.00 C ATOM 0 H ILE A 17 8.295 -4.275 -11.896 1.00 0.00 H new ATOM 0 HA ILE A 17 8.552 -5.584 -9.304 1.00 0.00 H new ATOM 0 HB ILE A 17 7.954 -6.695 -12.003 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.382 -4.929 -11.853 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.547 -6.452 -11.622 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.598 -8.356 -10.640 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.322 -8.357 -10.198 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.139 -7.526 -9.162 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.664 -4.731 -10.117 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.433 -6.035 -9.181 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.282 -4.488 -9.416 1.00 0.00 H new ATOM 266 N THR A 18 11.181 -5.574 -10.056 1.00 0.00 N ATOM 267 CA THR A 18 12.547 -6.090 -9.953 1.00 0.00 C ATOM 268 C THR A 18 12.600 -7.233 -8.925 1.00 0.00 C ATOM 269 O THR A 18 11.620 -7.517 -8.234 1.00 0.00 O ATOM 270 CB THR A 18 13.499 -4.891 -9.716 1.00 0.00 C ATOM 271 OG1 THR A 18 14.865 -5.234 -9.608 1.00 0.00 O ATOM 272 CG2 THR A 18 13.174 -4.066 -8.482 1.00 0.00 C ATOM 0 H THR A 18 11.084 -4.632 -9.678 1.00 0.00 H new ATOM 0 HA THR A 18 12.895 -6.560 -10.873 1.00 0.00 H new ATOM 0 HB THR A 18 13.328 -4.308 -10.621 1.00 0.00 H new ATOM 0 HG1 THR A 18 15.206 -4.950 -8.734 1.00 0.00 H new ATOM 0 HG21 THR A 18 13.889 -3.248 -8.392 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.167 -3.659 -8.571 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.233 -4.698 -7.596 1.00 0.00 H new ATOM 280 N ASP A 19 13.752 -7.895 -8.813 1.00 0.00 N ATOM 281 CA ASP A 19 14.032 -8.923 -7.795 1.00 0.00 C ATOM 282 C ASP A 19 14.828 -8.351 -6.617 1.00 0.00 C ATOM 283 O ASP A 19 15.503 -9.072 -5.884 1.00 0.00 O ATOM 284 CB ASP A 19 14.681 -10.164 -8.416 1.00 0.00 C ATOM 285 CG ASP A 19 13.666 -11.051 -9.130 1.00 0.00 C ATOM 286 OD1 ASP A 19 12.516 -11.178 -8.630 1.00 0.00 O ATOM 287 OD2 ASP A 19 14.023 -11.623 -10.182 1.00 0.00 O ATOM 0 H ASP A 19 14.539 -7.731 -9.440 1.00 0.00 H new ATOM 0 HA ASP A 19 13.079 -9.253 -7.381 1.00 0.00 H new ATOM 0 HB2 ASP A 19 15.450 -9.854 -9.123 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.179 -10.740 -7.636 1.00 0.00 H new ATOM 292 N SER A 20 14.747 -7.030 -6.445 1.00 0.00 N ATOM 293 CA SER A 20 15.437 -6.276 -5.417 1.00 0.00 C ATOM 294 C SER A 20 14.519 -5.486 -4.488 1.00 0.00 C ATOM 295 O SER A 20 14.972 -5.002 -3.451 1.00 0.00 O ATOM 296 CB SER A 20 16.492 -5.408 -6.116 1.00 0.00 C ATOM 297 OG SER A 20 15.911 -4.324 -6.828 1.00 0.00 O ATOM 0 H SER A 20 14.173 -6.440 -7.047 1.00 0.00 H new ATOM 0 HA SER A 20 15.919 -6.972 -4.730 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.190 -5.020 -5.374 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.069 -6.025 -6.805 1.00 0.00 H new ATOM 0 HG SER A 20 15.296 -3.838 -6.239 1.00 0.00 H new ATOM 303 N SER A 21 13.256 -5.338 -4.869 1.00 0.00 N ATOM 304 CA SER A 21 12.350 -4.276 -4.489 1.00 0.00 C ATOM 305 C SER A 21 11.097 -4.395 -5.354 1.00 0.00 C ATOM 306 O SER A 21 11.058 -5.168 -6.315 1.00 0.00 O ATOM 307 CB SER A 21 13.015 -2.888 -4.654 1.00 0.00 C ATOM 308 OG SER A 21 13.869 -2.802 -5.780 1.00 0.00 O ATOM 0 H SER A 21 12.812 -6.008 -5.497 1.00 0.00 H new ATOM 0 HA SER A 21 12.085 -4.371 -3.436 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.237 -2.129 -4.739 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.587 -2.659 -3.755 1.00 0.00 H new ATOM 0 HG SER A 21 14.256 -1.903 -5.829 1.00 0.00 H new ATOM 314 N ILE A 22 10.080 -3.604 -5.036 1.00 0.00 N ATOM 315 CA ILE A 22 8.934 -3.370 -5.904 1.00 0.00 C ATOM 316 C ILE A 22 8.646 -1.869 -5.824 1.00 0.00 C ATOM 317 O ILE A 22 8.852 -1.251 -4.772 1.00 0.00 O ATOM 318 CB ILE A 22 7.756 -4.282 -5.473 1.00 0.00 C ATOM 319 CG1 ILE A 22 6.669 -4.408 -6.554 1.00 0.00 C ATOM 320 CG2 ILE A 22 7.155 -3.827 -4.149 1.00 0.00 C ATOM 321 CD1 ILE A 22 5.388 -5.151 -6.111 1.00 0.00 C ATOM 0 H ILE A 22 10.028 -3.098 -4.152 1.00 0.00 H new ATOM 0 HA ILE A 22 9.115 -3.631 -6.947 1.00 0.00 H new ATOM 0 HB ILE A 22 8.178 -5.277 -5.335 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.393 -3.408 -6.888 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.092 -4.926 -7.414 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.332 -4.488 -3.877 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.919 -3.860 -3.372 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.783 -2.807 -4.249 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.683 -5.188 -6.942 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.643 -6.166 -5.806 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.933 -4.624 -5.272 1.00 0.00 H new ATOM 333 N GLY A 23 8.159 -1.266 -6.901 1.00 0.00 N ATOM 334 CA GLY A 23 7.703 0.114 -6.896 1.00 0.00 C ATOM 335 C GLY A 23 6.194 0.161 -6.678 1.00 0.00 C ATOM 336 O GLY A 23 5.480 -0.826 -6.881 1.00 0.00 O ATOM 0 H GLY A 23 8.070 -1.725 -7.807 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.211 0.671 -6.108 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.958 0.594 -7.841 1.00 0.00 H new ATOM 340 N LEU A 24 5.684 1.334 -6.319 1.00 0.00 N ATOM 341 CA LEU A 24 4.267 1.663 -6.288 1.00 0.00 C ATOM 342 C LEU A 24 4.057 2.955 -7.047 1.00 0.00 C ATOM 343 O LEU A 24 4.989 3.750 -7.207 1.00 0.00 O ATOM 344 CB LEU A 24 3.746 1.823 -4.853 1.00 0.00 C ATOM 345 CG LEU A 24 3.680 0.492 -4.086 1.00 0.00 C ATOM 346 CD1 LEU A 24 4.694 0.464 -2.947 1.00 0.00 C ATOM 347 CD2 LEU A 24 2.286 0.258 -3.501 1.00 0.00 C ATOM 0 H LEU A 24 6.274 2.114 -6.029 1.00 0.00 H new ATOM 0 HA LEU A 24 3.713 0.845 -6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.392 2.516 -4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.752 2.270 -4.881 1.00 0.00 H new ATOM 0 HG LEU A 24 3.911 -0.297 -4.802 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.625 -0.489 -2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.699 0.584 -3.352 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.483 1.277 -2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.271 -0.691 -2.965 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.039 1.067 -2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.553 0.231 -4.307 1.00 0.00 H new ATOM 359 N ARG A 25 2.822 3.188 -7.488 1.00 0.00 N ATOM 360 CA ARG A 25 2.434 4.484 -8.012 1.00 0.00 C ATOM 361 C ARG A 25 0.995 4.733 -7.579 1.00 0.00 C ATOM 362 O ARG A 25 0.189 3.806 -7.616 1.00 0.00 O ATOM 363 CB ARG A 25 2.615 4.454 -9.541 1.00 0.00 C ATOM 364 CG ARG A 25 2.772 5.850 -10.146 1.00 0.00 C ATOM 365 CD ARG A 25 2.975 5.754 -11.665 1.00 0.00 C ATOM 366 NE ARG A 25 3.275 7.074 -12.242 1.00 0.00 N ATOM 367 CZ ARG A 25 4.470 7.512 -12.664 1.00 0.00 C ATOM 368 NH1 ARG A 25 5.524 6.712 -12.789 1.00 0.00 N ATOM 369 NH2 ARG A 25 4.620 8.794 -12.960 1.00 0.00 N ATOM 0 H ARG A 25 2.077 2.492 -7.490 1.00 0.00 H new ATOM 0 HA ARG A 25 3.045 5.303 -7.632 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.492 3.856 -9.787 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.755 3.961 -9.995 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.888 6.450 -9.928 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.622 6.358 -9.690 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.790 5.064 -11.884 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.078 5.345 -12.130 1.00 0.00 H new ATOM 0 HE ARG A 25 2.493 7.723 -12.330 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.442 5.721 -12.560 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.414 7.089 -13.114 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.832 9.435 -12.866 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.524 9.141 -13.282 1.00 0.00 H new ATOM 383 N TRP A 26 0.679 5.938 -7.112 1.00 0.00 N ATOM 384 CA TRP A 26 -0.687 6.372 -6.805 1.00 0.00 C ATOM 385 C TRP A 26 -0.779 7.906 -6.908 1.00 0.00 C ATOM 386 O TRP A 26 0.204 8.567 -7.252 1.00 0.00 O ATOM 387 CB TRP A 26 -1.111 5.803 -5.434 1.00 0.00 C ATOM 388 CG TRP A 26 -0.374 6.327 -4.237 1.00 0.00 C ATOM 389 CD1 TRP A 26 -0.526 7.549 -3.676 1.00 0.00 C ATOM 390 CD2 TRP A 26 0.626 5.648 -3.419 1.00 0.00 C ATOM 391 NE1 TRP A 26 0.340 7.688 -2.620 1.00 0.00 N ATOM 392 CE2 TRP A 26 1.076 6.552 -2.416 1.00 0.00 C ATOM 393 CE3 TRP A 26 1.234 4.377 -3.442 1.00 0.00 C ATOM 394 CZ2 TRP A 26 2.098 6.239 -1.518 1.00 0.00 C ATOM 395 CZ3 TRP A 26 2.268 4.050 -2.539 1.00 0.00 C ATOM 396 CH2 TRP A 26 2.723 4.987 -1.595 1.00 0.00 C ATOM 0 H TRP A 26 1.379 6.658 -6.931 1.00 0.00 H new ATOM 0 HA TRP A 26 -1.397 5.978 -7.532 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -2.174 6.003 -5.295 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -0.991 4.720 -5.462 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -1.224 8.302 -4.009 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.425 8.534 -2.056 1.00 0.00 H new ATOM 0 HE3 TRP A 26 0.904 3.642 -4.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 2.404 6.956 -0.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.715 3.068 -2.574 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.544 4.745 -0.937 1.00 0.00 H new ATOM 407 N THR A 27 -1.942 8.499 -6.612 1.00 0.00 N ATOM 408 CA THR A 27 -2.205 9.923 -6.795 1.00 0.00 C ATOM 409 C THR A 27 -2.228 10.562 -5.411 1.00 0.00 C ATOM 410 O THR A 27 -3.153 10.272 -4.651 1.00 0.00 O ATOM 411 CB THR A 27 -3.491 10.145 -7.614 1.00 0.00 C ATOM 412 OG1 THR A 27 -3.160 10.061 -8.981 1.00 0.00 O ATOM 413 CG2 THR A 27 -4.144 11.519 -7.415 1.00 0.00 C ATOM 0 H THR A 27 -2.739 7.989 -6.232 1.00 0.00 H new ATOM 0 HA THR A 27 -1.423 10.405 -7.381 1.00 0.00 H new ATOM 0 HB THR A 27 -4.197 9.387 -7.275 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.729 9.199 -9.161 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.042 11.587 -8.029 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.411 11.646 -6.366 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.443 12.301 -7.708 1.00 0.00 H new ATOM 421 N PRO A 28 -1.192 11.322 -5.022 1.00 0.00 N ATOM 422 CA PRO A 28 -1.123 11.906 -3.699 1.00 0.00 C ATOM 423 C PRO A 28 -2.253 12.913 -3.513 1.00 0.00 C ATOM 424 O PRO A 28 -2.497 13.788 -4.346 1.00 0.00 O ATOM 425 CB PRO A 28 0.248 12.557 -3.584 1.00 0.00 C ATOM 426 CG PRO A 28 0.628 12.862 -5.026 1.00 0.00 C ATOM 427 CD PRO A 28 -0.085 11.787 -5.843 1.00 0.00 C ATOM 0 HA PRO A 28 -1.246 11.158 -2.916 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.211 13.464 -2.980 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.969 11.889 -3.113 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.307 13.862 -5.319 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.708 12.819 -5.170 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.445 12.192 -6.789 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.592 10.968 -6.084 1.00 0.00 H new ATOM 435 N LEU A 29 -2.937 12.757 -2.392 1.00 0.00 N ATOM 436 CA LEU A 29 -4.019 13.571 -1.895 1.00 0.00 C ATOM 437 C LEU A 29 -3.367 14.568 -0.978 1.00 0.00 C ATOM 438 O LEU A 29 -3.232 14.321 0.215 1.00 0.00 O ATOM 439 CB LEU A 29 -5.107 12.728 -1.189 1.00 0.00 C ATOM 440 CG LEU A 29 -5.519 11.494 -2.004 1.00 0.00 C ATOM 441 CD1 LEU A 29 -5.882 10.277 -1.165 1.00 0.00 C ATOM 442 CD2 LEU A 29 -6.678 11.848 -2.939 1.00 0.00 C ATOM 0 H LEU A 29 -2.726 11.989 -1.755 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.556 14.070 -2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.738 12.409 -0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.984 13.350 -1.010 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.636 11.208 -2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.160 9.452 -1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.025 9.985 -0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.721 10.521 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.964 10.967 -3.514 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.529 12.189 -2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.367 12.640 -3.620 1.00 0.00 H new ATOM 454 N ASN A 30 -2.956 15.699 -1.537 1.00 0.00 N ATOM 455 CA ASN A 30 -2.448 16.832 -0.775 1.00 0.00 C ATOM 456 C ASN A 30 -3.658 17.562 -0.167 1.00 0.00 C ATOM 457 O ASN A 30 -3.874 18.753 -0.424 1.00 0.00 O ATOM 458 CB ASN A 30 -1.585 17.733 -1.675 1.00 0.00 C ATOM 459 CG ASN A 30 -0.535 16.958 -2.467 1.00 0.00 C ATOM 460 OD1 ASN A 30 0.550 16.645 -1.994 1.00 0.00 O ATOM 461 ND2 ASN A 30 -0.833 16.598 -3.705 1.00 0.00 N ATOM 0 H ASN A 30 -2.966 15.857 -2.545 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.795 16.511 0.036 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.232 18.270 -2.369 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.087 18.482 -1.059 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.161 16.064 -4.257 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.734 16.854 -4.108 1.00 0.00 H new ATOM 468 N SER A 31 -4.534 16.799 0.495 1.00 0.00 N ATOM 469 CA SER A 31 -5.609 17.274 1.346 1.00 0.00 C ATOM 470 C SER A 31 -5.063 17.606 2.736 1.00 0.00 C ATOM 471 O SER A 31 -4.555 16.722 3.419 1.00 0.00 O ATOM 472 CB SER A 31 -6.655 16.162 1.464 1.00 0.00 C ATOM 473 OG SER A 31 -7.515 16.174 0.341 1.00 0.00 O ATOM 0 H SER A 31 -4.503 15.781 0.443 1.00 0.00 H new ATOM 0 HA SER A 31 -6.054 18.172 0.918 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.159 15.194 1.540 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.236 16.296 2.377 1.00 0.00 H new ATOM 0 HG SER A 31 -8.177 15.457 0.429 1.00 0.00 H new ATOM 479 N SER A 32 -5.284 18.840 3.186 1.00 0.00 N ATOM 480 CA SER A 32 -4.953 19.449 4.479 1.00 0.00 C ATOM 481 C SER A 32 -5.661 18.811 5.696 1.00 0.00 C ATOM 482 O SER A 32 -6.146 19.513 6.586 1.00 0.00 O ATOM 483 CB SER A 32 -5.294 20.941 4.336 1.00 0.00 C ATOM 484 OG SER A 32 -6.577 21.132 3.739 1.00 0.00 O ATOM 0 H SER A 32 -5.754 19.517 2.585 1.00 0.00 H new ATOM 0 HA SER A 32 -3.898 19.283 4.697 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.275 21.415 5.317 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.533 21.432 3.730 1.00 0.00 H new ATOM 0 HG SER A 32 -6.764 22.091 3.664 1.00 0.00 H new ATOM 490 N THR A 33 -5.814 17.493 5.710 1.00 0.00 N ATOM 491 CA THR A 33 -6.595 16.712 6.667 1.00 0.00 C ATOM 492 C THR A 33 -6.302 15.211 6.499 1.00 0.00 C ATOM 493 O THR A 33 -6.687 14.402 7.339 1.00 0.00 O ATOM 494 CB THR A 33 -8.081 17.085 6.480 1.00 0.00 C ATOM 495 OG1 THR A 33 -8.677 17.509 7.699 1.00 0.00 O ATOM 496 CG2 THR A 33 -8.978 16.087 5.741 1.00 0.00 C ATOM 0 H THR A 33 -5.368 16.901 5.009 1.00 0.00 H new ATOM 0 HA THR A 33 -6.319 16.944 7.696 1.00 0.00 H new ATOM 0 HB THR A 33 -8.022 17.921 5.783 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.617 17.738 7.541 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.992 16.482 5.685 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.594 15.929 4.733 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.987 15.139 6.278 1.00 0.00 H new ATOM 504 N ILE A 34 -5.634 14.830 5.410 1.00 0.00 N ATOM 505 CA ILE A 34 -4.954 13.548 5.248 1.00 0.00 C ATOM 506 C ILE A 34 -3.897 13.403 6.358 1.00 0.00 C ATOM 507 O ILE A 34 -3.468 14.399 6.949 1.00 0.00 O ATOM 508 CB ILE A 34 -4.399 13.471 3.805 1.00 0.00 C ATOM 509 CG1 ILE A 34 -4.744 12.129 3.131 1.00 0.00 C ATOM 510 CG2 ILE A 34 -2.923 13.879 3.673 1.00 0.00 C ATOM 511 CD1 ILE A 34 -3.726 10.994 3.264 1.00 0.00 C ATOM 0 H ILE A 34 -5.549 15.428 4.588 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.625 12.697 5.364 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.923 14.241 3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.693 11.781 3.539 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.904 12.316 2.069 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.615 13.796 2.631 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.799 14.909 4.008 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.307 13.221 4.287 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.096 10.111 2.744 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.777 11.303 2.825 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.579 10.759 4.318 1.00 0.00 H new ATOM 523 N ILE A 35 -3.454 12.173 6.614 1.00 0.00 N ATOM 524 CA ILE A 35 -2.294 11.892 7.456 1.00 0.00 C ATOM 525 C ILE A 35 -1.184 11.384 6.549 1.00 0.00 C ATOM 526 O ILE A 35 -0.118 11.991 6.486 1.00 0.00 O ATOM 527 CB ILE A 35 -2.670 10.879 8.554 1.00 0.00 C ATOM 528 CG1 ILE A 35 -3.667 11.495 9.558 1.00 0.00 C ATOM 529 CG2 ILE A 35 -1.454 10.327 9.305 1.00 0.00 C ATOM 530 CD1 ILE A 35 -4.951 10.682 9.574 1.00 0.00 C ATOM 0 H ILE A 35 -3.896 11.334 6.238 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.948 12.788 7.972 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.141 10.042 8.039 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.227 11.516 10.555 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.883 12.527 9.283 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.786 9.619 10.065 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.791 9.821 8.603 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.918 11.147 9.783 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.651 11.121 10.285 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.395 10.684 8.579 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.729 9.657 9.870 1.00 0.00 H new ATOM 542 N GLY A 36 -1.438 10.283 5.843 1.00 0.00 N ATOM 543 CA GLY A 36 -0.410 9.570 5.110 1.00 0.00 C ATOM 544 C GLY A 36 -1.005 8.347 4.438 1.00 0.00 C ATOM 545 O GLY A 36 -2.229 8.209 4.331 1.00 0.00 O ATOM 0 H GLY A 36 -2.365 9.865 5.767 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.036 10.226 4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.389 9.270 5.788 1.00 0.00 H new ATOM 549 N TYR A 37 -0.131 7.445 4.004 1.00 0.00 N ATOM 550 CA TYR A 37 -0.514 6.130 3.522 1.00 0.00 C ATOM 551 C TYR A 37 0.397 5.145 4.240 1.00 0.00 C ATOM 552 O TYR A 37 1.571 5.438 4.491 1.00 0.00 O ATOM 553 CB TYR A 37 -0.367 6.023 1.980 1.00 0.00 C ATOM 554 CG TYR A 37 -0.754 7.288 1.248 1.00 0.00 C ATOM 555 CD1 TYR A 37 -2.115 7.593 1.112 1.00 0.00 C ATOM 556 CD2 TYR A 37 0.221 8.204 0.806 1.00 0.00 C ATOM 557 CE1 TYR A 37 -2.510 8.814 0.554 1.00 0.00 C ATOM 558 CE2 TYR A 37 -0.169 9.422 0.220 1.00 0.00 C ATOM 559 CZ TYR A 37 -1.543 9.737 0.108 1.00 0.00 C ATOM 560 OH TYR A 37 -1.947 10.932 -0.401 1.00 0.00 O ATOM 0 H TYR A 37 0.875 7.612 3.978 1.00 0.00 H new ATOM 0 HA TYR A 37 -1.564 5.922 3.730 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.666 5.774 1.738 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.986 5.201 1.620 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.861 6.884 1.439 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.270 7.971 0.917 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.560 9.050 0.465 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.577 10.113 -0.143 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.300 11.627 -0.158 1.00 0.00 H new ATOM 570 N ARG A 38 -0.145 3.976 4.544 1.00 0.00 N ATOM 571 CA ARG A 38 0.490 2.916 5.296 1.00 0.00 C ATOM 572 C ARG A 38 0.587 1.720 4.377 1.00 0.00 C ATOM 573 O ARG A 38 -0.423 1.343 3.783 1.00 0.00 O ATOM 574 CB ARG A 38 -0.387 2.638 6.521 1.00 0.00 C ATOM 575 CG ARG A 38 0.082 1.457 7.374 1.00 0.00 C ATOM 576 CD ARG A 38 -0.702 0.168 7.077 1.00 0.00 C ATOM 577 NE ARG A 38 -0.463 -0.800 8.160 1.00 0.00 N ATOM 578 CZ ARG A 38 -0.998 -0.748 9.389 1.00 0.00 C ATOM 579 NH1 ARG A 38 -2.006 0.075 9.640 1.00 0.00 N ATOM 580 NH2 ARG A 38 -0.529 -1.503 10.374 1.00 0.00 N ATOM 0 H ARG A 38 -1.092 3.733 4.254 1.00 0.00 H new ATOM 0 HA ARG A 38 1.492 3.170 5.643 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.416 3.532 7.143 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.407 2.448 6.188 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.143 1.282 7.195 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.026 1.709 8.429 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.767 0.386 6.995 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.388 -0.252 6.121 1.00 0.00 H new ATOM 0 HE ARG A 38 0.164 -1.578 7.958 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.376 0.670 8.898 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.412 0.114 10.575 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.252 -2.137 10.203 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.949 -1.449 11.302 1.00 0.00 H new ATOM 594 N ILE A 39 1.759 1.110 4.266 1.00 0.00 N ATOM 595 CA ILE A 39 1.964 -0.079 3.460 1.00 0.00 C ATOM 596 C ILE A 39 2.314 -1.195 4.431 1.00 0.00 C ATOM 597 O ILE A 39 3.180 -1.007 5.276 1.00 0.00 O ATOM 598 CB ILE A 39 3.032 0.182 2.367 1.00 0.00 C ATOM 599 CG1 ILE A 39 2.464 1.127 1.281 1.00 0.00 C ATOM 600 CG2 ILE A 39 3.471 -1.123 1.675 1.00 0.00 C ATOM 601 CD1 ILE A 39 2.711 2.620 1.527 1.00 0.00 C ATOM 0 H ILE A 39 2.602 1.433 4.740 1.00 0.00 H new ATOM 0 HA ILE A 39 1.075 -0.369 2.901 1.00 0.00 H new ATOM 0 HB ILE A 39 3.891 0.633 2.864 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.901 0.855 0.320 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.390 0.960 1.201 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.220 -0.898 0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.896 -1.802 2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.608 -1.594 1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.276 3.200 0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.249 2.915 2.469 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.784 2.808 1.574 1.00 0.00 H new ATOM 613 N THR A 40 1.688 -2.358 4.286 1.00 0.00 N ATOM 614 CA THR A 40 2.076 -3.570 4.993 1.00 0.00 C ATOM 615 C THR A 40 2.221 -4.658 3.942 1.00 0.00 C ATOM 616 O THR A 40 1.368 -4.787 3.066 1.00 0.00 O ATOM 617 CB THR A 40 1.052 -3.930 6.087 1.00 0.00 C ATOM 618 OG1 THR A 40 1.033 -2.957 7.106 1.00 0.00 O ATOM 619 CG2 THR A 40 1.353 -5.262 6.764 1.00 0.00 C ATOM 0 H THR A 40 0.888 -2.485 3.667 1.00 0.00 H new ATOM 0 HA THR A 40 3.020 -3.438 5.521 1.00 0.00 H new ATOM 0 HB THR A 40 0.094 -3.987 5.570 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.636 -3.340 7.916 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.599 -5.462 7.525 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.339 -6.059 6.021 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.337 -5.219 7.231 1.00 0.00 H new ATOM 627 N VAL A 41 3.249 -5.485 4.058 1.00 0.00 N ATOM 628 CA VAL A 41 3.554 -6.585 3.156 1.00 0.00 C ATOM 629 C VAL A 41 3.632 -7.860 3.969 1.00 0.00 C ATOM 630 O VAL A 41 4.366 -7.908 4.960 1.00 0.00 O ATOM 631 CB VAL A 41 4.821 -6.342 2.297 1.00 0.00 C ATOM 632 CG1 VAL A 41 4.468 -6.315 0.815 1.00 0.00 C ATOM 633 CG2 VAL A 41 5.502 -4.972 2.520 1.00 0.00 C ATOM 0 H VAL A 41 3.924 -5.404 4.818 1.00 0.00 H new ATOM 0 HA VAL A 41 2.752 -6.671 2.423 1.00 0.00 H new ATOM 0 HB VAL A 41 5.483 -7.155 2.595 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.371 -6.143 0.229 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.026 -7.269 0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.754 -5.513 0.625 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.378 -4.892 1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.801 -4.173 2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.808 -4.883 3.562 1.00 0.00 H new ATOM 643 N VAL A 42 2.817 -8.848 3.595 1.00 0.00 N ATOM 644 CA VAL A 42 2.830 -10.163 4.239 1.00 0.00 C ATOM 645 C VAL A 42 3.085 -11.242 3.182 1.00 0.00 C ATOM 646 O VAL A 42 2.890 -11.005 1.987 1.00 0.00 O ATOM 647 CB VAL A 42 1.569 -10.385 5.106 1.00 0.00 C ATOM 648 CG1 VAL A 42 1.070 -9.112 5.805 1.00 0.00 C ATOM 649 CG2 VAL A 42 0.399 -10.937 4.309 1.00 0.00 C ATOM 0 H VAL A 42 2.134 -8.761 2.843 1.00 0.00 H new ATOM 0 HA VAL A 42 3.653 -10.226 4.951 1.00 0.00 H new ATOM 0 HB VAL A 42 1.900 -11.107 5.853 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.183 -9.344 6.395 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.851 -8.727 6.461 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.821 -8.360 5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.458 -11.073 4.968 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.138 -10.238 3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.677 -11.896 3.872 1.00 0.00 H new ATOM 659 N ALA A 43 3.463 -12.445 3.598 1.00 0.00 N ATOM 660 CA ALA A 43 3.707 -13.570 2.714 1.00 0.00 C ATOM 661 C ALA A 43 2.364 -14.265 2.498 1.00 0.00 C ATOM 662 O ALA A 43 1.839 -14.927 3.405 1.00 0.00 O ATOM 663 CB ALA A 43 4.773 -14.491 3.316 1.00 0.00 C ATOM 0 H ALA A 43 3.611 -12.667 4.583 1.00 0.00 H new ATOM 0 HA ALA A 43 4.101 -13.255 1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.948 -15.332 2.645 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.701 -13.935 3.451 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.429 -14.863 4.281 1.00 0.00 H new ATOM 669 N ALA A 44 1.814 -14.071 1.299 1.00 0.00 N ATOM 670 CA ALA A 44 0.507 -14.554 0.881 1.00 0.00 C ATOM 671 C ALA A 44 0.524 -16.084 0.854 1.00 0.00 C ATOM 672 O ALA A 44 1.087 -16.693 -0.061 1.00 0.00 O ATOM 673 CB ALA A 44 0.148 -13.971 -0.487 1.00 0.00 C ATOM 0 H ALA A 44 2.292 -13.550 0.564 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.257 -14.230 1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.832 -14.337 -0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.125 -12.883 -0.424 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.895 -14.277 -1.220 1.00 0.00 H new ATOM 679 N GLY A 45 0.001 -16.716 1.900 1.00 0.00 N ATOM 680 CA GLY A 45 -0.077 -18.162 2.024 1.00 0.00 C ATOM 681 C GLY A 45 0.225 -18.663 3.429 1.00 0.00 C ATOM 682 O GLY A 45 -0.169 -19.791 3.741 1.00 0.00 O ATOM 0 H GLY A 45 -0.389 -16.222 2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.075 -18.491 1.735 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.624 -18.618 1.325 1.00 0.00 H new ATOM 686 N GLU A 46 0.880 -17.858 4.276 1.00 0.00 N ATOM 687 CA GLU A 46 0.979 -18.162 5.702 1.00 0.00 C ATOM 688 C GLU A 46 0.626 -16.934 6.557 1.00 0.00 C ATOM 689 O GLU A 46 0.553 -17.038 7.776 1.00 0.00 O ATOM 690 CB GLU A 46 2.359 -18.786 6.005 1.00 0.00 C ATOM 691 CG GLU A 46 2.441 -19.415 7.409 1.00 0.00 C ATOM 692 CD GLU A 46 3.367 -20.635 7.473 1.00 0.00 C ATOM 693 OE1 GLU A 46 4.599 -20.512 7.293 1.00 0.00 O ATOM 694 OE2 GLU A 46 2.839 -21.750 7.698 1.00 0.00 O ATOM 0 H GLU A 46 1.346 -16.995 3.996 1.00 0.00 H new ATOM 0 HA GLU A 46 0.238 -18.911 5.980 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.578 -19.549 5.258 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.127 -18.018 5.912 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.792 -18.664 8.116 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.441 -19.709 7.727 1.00 0.00 H new ATOM 701 N GLY A 47 0.395 -15.764 5.945 1.00 0.00 N ATOM 702 CA GLY A 47 0.066 -14.526 6.649 1.00 0.00 C ATOM 703 C GLY A 47 1.256 -13.909 7.374 1.00 0.00 C ATOM 704 O GLY A 47 1.124 -12.828 7.947 1.00 0.00 O ATOM 0 H GLY A 47 0.433 -15.654 4.932 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.329 -13.804 5.934 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.726 -14.726 7.371 1.00 0.00 H new ATOM 708 N ILE A 48 2.414 -14.570 7.301 1.00 0.00 N ATOM 709 CA ILE A 48 3.712 -14.164 7.801 1.00 0.00 C ATOM 710 C ILE A 48 3.958 -12.684 7.481 1.00 0.00 C ATOM 711 O ILE A 48 4.135 -12.341 6.311 1.00 0.00 O ATOM 712 CB ILE A 48 4.787 -15.160 7.304 1.00 0.00 C ATOM 713 CG1 ILE A 48 4.803 -16.330 8.303 1.00 0.00 C ATOM 714 CG2 ILE A 48 6.176 -14.537 7.134 1.00 0.00 C ATOM 715 CD1 ILE A 48 5.720 -17.493 7.934 1.00 0.00 C ATOM 0 H ILE A 48 2.461 -15.483 6.849 1.00 0.00 H new ATOM 0 HA ILE A 48 3.763 -14.215 8.889 1.00 0.00 H new ATOM 0 HB ILE A 48 4.527 -15.498 6.301 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.103 -15.948 9.279 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.787 -16.710 8.408 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.875 -15.296 6.783 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.125 -13.727 6.406 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.518 -14.144 8.091 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.658 -18.264 8.702 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.411 -17.910 6.976 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.748 -17.137 7.860 1.00 0.00 H new ATOM 727 N PRO A 49 3.883 -11.788 8.478 1.00 0.00 N ATOM 728 CA PRO A 49 4.113 -10.378 8.264 1.00 0.00 C ATOM 729 C PRO A 49 5.598 -10.196 7.962 1.00 0.00 C ATOM 730 O PRO A 49 6.442 -10.658 8.738 1.00 0.00 O ATOM 731 CB PRO A 49 3.660 -9.701 9.560 1.00 0.00 C ATOM 732 CG PRO A 49 3.896 -10.753 10.637 1.00 0.00 C ATOM 733 CD PRO A 49 3.722 -12.076 9.895 1.00 0.00 C ATOM 0 HA PRO A 49 3.569 -9.942 7.426 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.233 -8.795 9.757 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.611 -9.410 9.511 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.892 -10.665 11.071 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.182 -10.656 11.455 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.460 -12.806 10.227 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.739 -12.504 10.093 1.00 0.00 H new ATOM 741 N ILE A 50 5.918 -9.534 6.849 1.00 0.00 N ATOM 742 CA ILE A 50 7.293 -9.207 6.509 1.00 0.00 C ATOM 743 C ILE A 50 7.536 -7.915 7.287 1.00 0.00 C ATOM 744 O ILE A 50 8.007 -7.954 8.432 1.00 0.00 O ATOM 745 CB ILE A 50 7.497 -9.076 4.972 1.00 0.00 C ATOM 746 CG1 ILE A 50 6.933 -10.216 4.114 1.00 0.00 C ATOM 747 CG2 ILE A 50 8.964 -8.764 4.624 1.00 0.00 C ATOM 748 CD1 ILE A 50 7.666 -11.518 4.328 1.00 0.00 C ATOM 0 H ILE A 50 5.232 -9.214 6.165 1.00 0.00 H new ATOM 0 HA ILE A 50 8.012 -9.981 6.777 1.00 0.00 H new ATOM 0 HB ILE A 50 6.877 -8.223 4.695 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.877 -10.354 4.348 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.992 -9.938 3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.071 -8.679 3.543 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.257 -7.825 5.093 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.604 -9.567 4.990 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.227 -12.291 3.697 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.717 -11.391 4.068 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.584 -11.814 5.374 1.00 0.00 H new ATOM 760 N PHE A 51 7.116 -6.771 6.758 1.00 0.00 N ATOM 761 CA PHE A 51 7.208 -5.491 7.439 1.00 0.00 C ATOM 762 C PHE A 51 6.047 -4.603 7.023 1.00 0.00 C ATOM 763 O PHE A 51 5.213 -4.976 6.190 1.00 0.00 O ATOM 764 CB PHE A 51 8.598 -4.856 7.247 1.00 0.00 C ATOM 765 CG PHE A 51 8.855 -4.071 5.973 1.00 0.00 C ATOM 766 CD1 PHE A 51 8.760 -4.677 4.705 1.00 0.00 C ATOM 767 CD2 PHE A 51 9.274 -2.731 6.065 1.00 0.00 C ATOM 768 CE1 PHE A 51 9.089 -3.947 3.550 1.00 0.00 C ATOM 769 CE2 PHE A 51 9.610 -2.005 4.915 1.00 0.00 C ATOM 770 CZ PHE A 51 9.520 -2.611 3.654 1.00 0.00 C ATOM 0 H PHE A 51 6.696 -6.709 5.830 1.00 0.00 H new ATOM 0 HA PHE A 51 7.115 -5.634 8.515 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.780 -4.191 8.091 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.339 -5.653 7.303 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.434 -5.703 4.620 1.00 0.00 H new ATOM 0 HD2 PHE A 51 9.337 -2.257 7.033 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.011 -4.413 2.579 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.938 -0.980 5.000 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.780 -2.055 2.766 1.00 0.00 H new ATOM 780 N GLU A 52 5.984 -3.441 7.655 1.00 0.00 N ATOM 781 CA GLU A 52 5.152 -2.328 7.247 1.00 0.00 C ATOM 782 C GLU A 52 6.047 -1.103 7.112 1.00 0.00 C ATOM 783 O GLU A 52 7.143 -1.072 7.673 1.00 0.00 O ATOM 784 CB GLU A 52 3.990 -2.125 8.230 1.00 0.00 C ATOM 785 CG GLU A 52 4.438 -1.784 9.656 1.00 0.00 C ATOM 786 CD GLU A 52 3.246 -1.395 10.530 1.00 0.00 C ATOM 787 OE1 GLU A 52 2.304 -2.214 10.670 1.00 0.00 O ATOM 788 OE2 GLU A 52 3.309 -0.299 11.131 1.00 0.00 O ATOM 0 H GLU A 52 6.530 -3.244 8.494 1.00 0.00 H new ATOM 0 HA GLU A 52 4.683 -2.522 6.283 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.349 -1.325 7.860 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.386 -3.032 8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.950 -2.641 10.094 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.156 -0.964 9.629 1.00 0.00 H new ATOM 795 N ASP A 53 5.600 -0.098 6.374 1.00 0.00 N ATOM 796 CA ASP A 53 6.299 1.144 6.085 1.00 0.00 C ATOM 797 C ASP A 53 5.239 2.242 5.922 1.00 0.00 C ATOM 798 O ASP A 53 4.044 1.942 5.809 1.00 0.00 O ATOM 799 CB ASP A 53 7.183 0.948 4.848 1.00 0.00 C ATOM 800 CG ASP A 53 8.310 1.977 4.770 1.00 0.00 C ATOM 801 OD1 ASP A 53 8.042 3.141 4.409 1.00 0.00 O ATOM 802 OD2 ASP A 53 9.486 1.630 5.029 1.00 0.00 O ATOM 0 H ASP A 53 4.681 -0.131 5.933 1.00 0.00 H new ATOM 0 HA ASP A 53 6.969 1.444 6.890 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.610 -0.055 4.865 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.568 1.017 3.951 1.00 0.00 H new ATOM 807 N PHE A 54 5.645 3.507 5.958 1.00 0.00 N ATOM 808 CA PHE A 54 4.729 4.644 5.962 1.00 0.00 C ATOM 809 C PHE A 54 5.320 5.780 5.134 1.00 0.00 C ATOM 810 O PHE A 54 6.547 5.914 5.077 1.00 0.00 O ATOM 811 CB PHE A 54 4.556 5.096 7.421 1.00 0.00 C ATOM 812 CG PHE A 54 3.124 5.222 7.854 1.00 0.00 C ATOM 813 CD1 PHE A 54 2.378 6.349 7.466 1.00 0.00 C ATOM 814 CD2 PHE A 54 2.552 4.230 8.673 1.00 0.00 C ATOM 815 CE1 PHE A 54 1.053 6.481 7.898 1.00 0.00 C ATOM 816 CE2 PHE A 54 1.238 4.388 9.135 1.00 0.00 C ATOM 817 CZ PHE A 54 0.492 5.512 8.744 1.00 0.00 C ATOM 0 H PHE A 54 6.629 3.775 5.986 1.00 0.00 H new ATOM 0 HA PHE A 54 3.767 4.366 5.532 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.061 4.384 8.074 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.051 6.058 7.554 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.824 7.107 6.839 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.122 3.353 8.943 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.463 7.328 7.580 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.801 3.648 9.789 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.522 5.632 9.097 1.00 0.00 H new ATOM 827 N VAL A 55 4.497 6.661 4.570 1.00 0.00 N ATOM 828 CA VAL A 55 4.974 7.741 3.708 1.00 0.00 C ATOM 829 C VAL A 55 4.460 9.102 4.205 1.00 0.00 C ATOM 830 O VAL A 55 3.740 9.172 5.201 1.00 0.00 O ATOM 831 CB VAL A 55 4.595 7.395 2.243 1.00 0.00 C ATOM 832 CG1 VAL A 55 5.830 6.911 1.479 1.00 0.00 C ATOM 833 CG2 VAL A 55 3.469 6.362 2.062 1.00 0.00 C ATOM 0 H VAL A 55 3.485 6.647 4.696 1.00 0.00 H new ATOM 0 HA VAL A 55 6.060 7.833 3.745 1.00 0.00 H new ATOM 0 HB VAL A 55 4.204 8.331 1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.552 6.671 0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.587 7.696 1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.232 6.021 1.963 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.291 6.200 0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.760 5.421 2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.557 6.732 2.530 1.00 0.00 H new ATOM 843 N ASP A 56 4.774 10.181 3.480 1.00 0.00 N ATOM 844 CA ASP A 56 4.675 11.557 3.977 1.00 0.00 C ATOM 845 C ASP A 56 3.235 12.031 4.169 1.00 0.00 C ATOM 846 O ASP A 56 2.857 12.424 5.269 1.00 0.00 O ATOM 847 CB ASP A 56 5.388 12.510 3.006 1.00 0.00 C ATOM 848 CG ASP A 56 5.713 13.851 3.657 1.00 0.00 C ATOM 849 OD1 ASP A 56 6.407 13.843 4.697 1.00 0.00 O ATOM 850 OD2 ASP A 56 5.389 14.909 3.078 1.00 0.00 O ATOM 0 H ASP A 56 5.109 10.122 2.518 1.00 0.00 H new ATOM 0 HA ASP A 56 5.151 11.566 4.957 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.309 12.046 2.653 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.758 12.675 2.132 1.00 0.00 H new ATOM 855 N SER A 57 2.493 12.031 3.060 1.00 0.00 N ATOM 856 CA SER A 57 1.155 12.550 2.764 1.00 0.00 C ATOM 857 C SER A 57 1.092 12.860 1.267 1.00 0.00 C ATOM 858 O SER A 57 0.132 12.520 0.573 1.00 0.00 O ATOM 859 CB SER A 57 0.775 13.792 3.591 1.00 0.00 C ATOM 860 OG SER A 57 1.685 14.862 3.390 1.00 0.00 O ATOM 0 H SER A 57 2.879 11.600 2.220 1.00 0.00 H new ATOM 0 HA SER A 57 0.427 11.788 3.043 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.230 14.115 3.320 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.751 13.530 4.649 1.00 0.00 H new ATOM 0 HG SER A 57 1.409 15.632 3.930 1.00 0.00 H new ATOM 866 N SER A 58 2.180 13.440 0.761 1.00 0.00 N ATOM 867 CA SER A 58 2.291 14.042 -0.554 1.00 0.00 C ATOM 868 C SER A 58 3.030 13.152 -1.556 1.00 0.00 C ATOM 869 O SER A 58 3.121 13.491 -2.741 1.00 0.00 O ATOM 870 CB SER A 58 2.880 15.442 -0.349 1.00 0.00 C ATOM 871 OG SER A 58 4.183 15.385 0.199 1.00 0.00 O ATOM 0 H SER A 58 3.050 13.502 1.290 1.00 0.00 H new ATOM 0 HA SER A 58 1.316 14.145 -1.030 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.909 15.968 -1.303 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.232 16.017 0.312 1.00 0.00 H new ATOM 0 HG SER A 58 4.125 15.229 1.165 1.00 0.00 H new ATOM 877 N VAL A 59 3.488 11.980 -1.107 1.00 0.00 N ATOM 878 CA VAL A 59 4.198 10.996 -1.921 1.00 0.00 C ATOM 879 C VAL A 59 3.184 10.307 -2.830 1.00 0.00 C ATOM 880 O VAL A 59 2.159 9.823 -2.338 1.00 0.00 O ATOM 881 CB VAL A 59 4.895 9.970 -1.004 1.00 0.00 C ATOM 882 CG1 VAL A 59 5.444 8.752 -1.761 1.00 0.00 C ATOM 883 CG2 VAL A 59 6.077 10.604 -0.270 1.00 0.00 C ATOM 0 H VAL A 59 3.370 11.683 -0.138 1.00 0.00 H new ATOM 0 HA VAL A 59 4.962 11.481 -2.529 1.00 0.00 H new ATOM 0 HB VAL A 59 4.120 9.643 -0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.921 8.071 -1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.626 8.238 -2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.175 9.082 -2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.550 9.859 0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.802 10.972 -0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.723 11.434 0.341 1.00 0.00 H new ATOM 893 N GLY A 60 3.485 10.243 -4.130 1.00 0.00 N ATOM 894 CA GLY A 60 2.735 9.495 -5.132 1.00 0.00 C ATOM 895 C GLY A 60 3.516 8.331 -5.724 1.00 0.00 C ATOM 896 O GLY A 60 2.947 7.496 -6.422 1.00 0.00 O ATOM 0 H GLY A 60 4.289 10.731 -4.524 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.818 9.116 -4.681 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.440 10.171 -5.935 1.00 0.00 H new ATOM 900 N TYR A 61 4.786 8.193 -5.378 1.00 0.00 N ATOM 901 CA TYR A 61 5.691 7.171 -5.887 1.00 0.00 C ATOM 902 C TYR A 61 6.562 6.679 -4.728 1.00 0.00 C ATOM 903 O TYR A 61 7.347 7.448 -4.162 1.00 0.00 O ATOM 904 CB TYR A 61 6.540 7.759 -7.013 1.00 0.00 C ATOM 905 CG TYR A 61 7.508 6.749 -7.589 1.00 0.00 C ATOM 906 CD1 TYR A 61 7.060 5.805 -8.531 1.00 0.00 C ATOM 907 CD2 TYR A 61 8.852 6.737 -7.170 1.00 0.00 C ATOM 908 CE1 TYR A 61 7.940 4.834 -9.034 1.00 0.00 C ATOM 909 CE2 TYR A 61 9.740 5.771 -7.670 1.00 0.00 C ATOM 910 CZ TYR A 61 9.279 4.800 -8.587 1.00 0.00 C ATOM 911 OH TYR A 61 10.157 3.885 -9.076 1.00 0.00 O ATOM 0 H TYR A 61 5.235 8.816 -4.706 1.00 0.00 H new ATOM 0 HA TYR A 61 5.135 6.327 -6.295 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.886 8.125 -7.805 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.096 8.618 -6.636 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.034 5.828 -8.869 1.00 0.00 H new ATOM 0 HD2 TYR A 61 9.201 7.473 -6.461 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.594 4.115 -9.761 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.773 5.770 -7.354 1.00 0.00 H new ATOM 0 HH TYR A 61 9.664 3.113 -9.425 1.00 0.00 H new ATOM 921 N TYR A 62 6.444 5.408 -4.354 1.00 0.00 N ATOM 922 CA TYR A 62 7.214 4.826 -3.255 1.00 0.00 C ATOM 923 C TYR A 62 7.746 3.465 -3.692 1.00 0.00 C ATOM 924 O TYR A 62 7.011 2.683 -4.286 1.00 0.00 O ATOM 925 CB TYR A 62 6.362 4.787 -1.977 1.00 0.00 C ATOM 926 CG TYR A 62 6.867 3.866 -0.874 1.00 0.00 C ATOM 927 CD1 TYR A 62 8.154 4.034 -0.333 1.00 0.00 C ATOM 928 CD2 TYR A 62 6.059 2.813 -0.407 1.00 0.00 C ATOM 929 CE1 TYR A 62 8.665 3.106 0.593 1.00 0.00 C ATOM 930 CE2 TYR A 62 6.565 1.869 0.503 1.00 0.00 C ATOM 931 CZ TYR A 62 7.894 1.987 0.970 1.00 0.00 C ATOM 932 OH TYR A 62 8.419 1.051 1.806 1.00 0.00 O ATOM 0 H TYR A 62 5.810 4.749 -4.805 1.00 0.00 H new ATOM 0 HA TYR A 62 8.080 5.441 -3.011 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.293 5.799 -1.577 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.351 4.481 -2.246 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.754 4.881 -0.630 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.039 2.729 -0.752 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.648 3.251 1.015 1.00 0.00 H new ATOM 0 HE2 TYR A 62 5.941 1.056 0.844 1.00 0.00 H new ATOM 0 HH TYR A 62 7.700 0.484 2.156 1.00 0.00 H new ATOM 942 N THR A 63 9.006 3.175 -3.386 1.00 0.00 N ATOM 943 CA THR A 63 9.662 1.912 -3.685 1.00 0.00 C ATOM 944 C THR A 63 9.932 1.204 -2.357 1.00 0.00 C ATOM 945 O THR A 63 10.536 1.775 -1.445 1.00 0.00 O ATOM 946 CB THR A 63 10.938 2.172 -4.500 1.00 0.00 C ATOM 947 OG1 THR A 63 10.651 2.890 -5.691 1.00 0.00 O ATOM 948 CG2 THR A 63 11.648 0.883 -4.905 1.00 0.00 C ATOM 0 H THR A 63 9.617 3.836 -2.907 1.00 0.00 H new ATOM 0 HA THR A 63 9.035 1.264 -4.298 1.00 0.00 H new ATOM 0 HB THR A 63 11.587 2.753 -3.844 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.481 3.043 -6.189 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.543 1.125 -5.479 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.930 0.326 -4.011 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.979 0.276 -5.515 1.00 0.00 H new ATOM 956 N VAL A 64 9.444 -0.027 -2.245 1.00 0.00 N ATOM 957 CA VAL A 64 9.633 -0.922 -1.113 1.00 0.00 C ATOM 958 C VAL A 64 10.952 -1.673 -1.330 1.00 0.00 C ATOM 959 O VAL A 64 11.514 -1.667 -2.425 1.00 0.00 O ATOM 960 CB VAL A 64 8.428 -1.885 -1.001 1.00 0.00 C ATOM 961 CG1 VAL A 64 8.251 -2.428 0.422 1.00 0.00 C ATOM 962 CG2 VAL A 64 7.081 -1.279 -1.424 1.00 0.00 C ATOM 0 H VAL A 64 8.877 -0.448 -2.981 1.00 0.00 H new ATOM 0 HA VAL A 64 9.687 -0.371 -0.174 1.00 0.00 H new ATOM 0 HB VAL A 64 8.684 -2.682 -1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.393 -3.099 0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.148 -2.972 0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.086 -1.599 1.110 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.295 -2.026 -1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.856 -0.418 -0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.135 -0.963 -2.466 1.00 0.00 H new ATOM 972 N THR A 65 11.472 -2.318 -0.295 1.00 0.00 N ATOM 973 CA THR A 65 12.580 -3.260 -0.410 1.00 0.00 C ATOM 974 C THR A 65 12.310 -4.436 0.552 1.00 0.00 C ATOM 975 O THR A 65 11.227 -4.506 1.139 1.00 0.00 O ATOM 976 CB THR A 65 13.919 -2.529 -0.156 1.00 0.00 C ATOM 977 OG1 THR A 65 13.870 -1.139 -0.455 1.00 0.00 O ATOM 978 CG2 THR A 65 15.031 -3.113 -1.023 1.00 0.00 C ATOM 0 H THR A 65 11.133 -2.201 0.660 1.00 0.00 H new ATOM 0 HA THR A 65 12.660 -3.673 -1.415 1.00 0.00 H new ATOM 0 HB THR A 65 14.113 -2.666 0.908 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.744 -0.734 -0.273 1.00 0.00 H new ATOM 0 HG21 THR A 65 15.963 -2.582 -0.826 1.00 0.00 H new ATOM 0 HG22 THR A 65 15.159 -4.170 -0.788 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.767 -3.005 -2.075 1.00 0.00 H new ATOM 986 N GLY A 66 13.248 -5.376 0.709 1.00 0.00 N ATOM 987 CA GLY A 66 13.066 -6.528 1.592 1.00 0.00 C ATOM 988 C GLY A 66 12.196 -7.608 0.969 1.00 0.00 C ATOM 989 O GLY A 66 11.394 -8.234 1.655 1.00 0.00 O ATOM 0 H GLY A 66 14.148 -5.359 0.230 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.040 -6.949 1.840 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.615 -6.197 2.527 1.00 0.00 H new ATOM 993 N LEU A 67 12.335 -7.798 -0.342 1.00 0.00 N ATOM 994 CA LEU A 67 11.739 -8.885 -1.090 1.00 0.00 C ATOM 995 C LEU A 67 12.730 -10.042 -1.233 1.00 0.00 C ATOM 996 O LEU A 67 13.945 -9.877 -1.075 1.00 0.00 O ATOM 997 CB LEU A 67 11.323 -8.347 -2.471 1.00 0.00 C ATOM 998 CG LEU A 67 9.801 -8.145 -2.566 1.00 0.00 C ATOM 999 CD1 LEU A 67 9.436 -7.139 -3.658 1.00 0.00 C ATOM 1000 CD2 LEU A 67 9.121 -9.481 -2.862 1.00 0.00 C ATOM 0 H LEU A 67 12.888 -7.171 -0.927 1.00 0.00 H new ATOM 0 HA LEU A 67 10.864 -9.267 -0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.829 -7.400 -2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.647 -9.042 -3.245 1.00 0.00 H new ATOM 0 HG LEU A 67 9.456 -7.752 -1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.353 -7.021 -3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.898 -6.177 -3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.796 -7.501 -4.621 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.043 -9.334 -2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.492 -9.877 -3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.342 -10.187 -2.061 1.00 0.00 H new ATOM 1012 N GLU A 68 12.199 -11.210 -1.577 1.00 0.00 N ATOM 1013 CA GLU A 68 12.882 -12.383 -2.122 1.00 0.00 C ATOM 1014 C GLU A 68 11.855 -13.035 -3.072 1.00 0.00 C ATOM 1015 O GLU A 68 10.674 -13.078 -2.722 1.00 0.00 O ATOM 1016 CB GLU A 68 13.316 -13.343 -0.999 1.00 0.00 C ATOM 1017 CG GLU A 68 14.827 -13.303 -0.695 1.00 0.00 C ATOM 1018 CD GLU A 68 15.661 -14.293 -1.507 1.00 0.00 C ATOM 1019 OE1 GLU A 68 16.154 -13.926 -2.597 1.00 0.00 O ATOM 1020 OE2 GLU A 68 15.910 -15.431 -1.044 1.00 0.00 O ATOM 0 H GLU A 68 11.198 -11.377 -1.474 1.00 0.00 H new ATOM 0 HA GLU A 68 13.800 -12.120 -2.647 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.766 -13.097 -0.091 1.00 0.00 H new ATOM 0 HB3 GLU A 68 13.037 -14.360 -1.275 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.197 -12.295 -0.884 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.977 -13.504 0.366 1.00 0.00 H new ATOM 1027 N PRO A 69 12.231 -13.460 -4.292 1.00 0.00 N ATOM 1028 CA PRO A 69 11.310 -14.118 -5.220 1.00 0.00 C ATOM 1029 C PRO A 69 10.920 -15.534 -4.778 1.00 0.00 C ATOM 1030 O PRO A 69 11.535 -16.106 -3.876 1.00 0.00 O ATOM 1031 CB PRO A 69 12.017 -14.113 -6.581 1.00 0.00 C ATOM 1032 CG PRO A 69 13.503 -14.014 -6.232 1.00 0.00 C ATOM 1033 CD PRO A 69 13.546 -13.297 -4.887 1.00 0.00 C ATOM 0 HA PRO A 69 10.361 -13.584 -5.260 1.00 0.00 H new ATOM 0 HB2 PRO A 69 11.800 -15.020 -7.146 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.695 -13.271 -7.194 1.00 0.00 H new ATOM 0 HG2 PRO A 69 13.960 -15.002 -6.167 1.00 0.00 H new ATOM 0 HG3 PRO A 69 14.051 -13.458 -6.993 1.00 0.00 H new ATOM 0 HD2 PRO A 69 14.318 -13.722 -4.245 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.785 -12.242 -5.017 1.00 0.00 H new ATOM 1041 N GLY A 70 9.934 -16.127 -5.457 1.00 0.00 N ATOM 1042 CA GLY A 70 9.567 -17.531 -5.295 1.00 0.00 C ATOM 1043 C GLY A 70 8.430 -17.762 -4.298 1.00 0.00 C ATOM 1044 O GLY A 70 7.957 -18.895 -4.172 1.00 0.00 O ATOM 0 H GLY A 70 9.362 -15.636 -6.144 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.275 -17.934 -6.265 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.443 -18.090 -4.968 1.00 0.00 H new ATOM 1048 N ILE A 71 7.951 -16.725 -3.609 1.00 0.00 N ATOM 1049 CA ILE A 71 6.862 -16.772 -2.631 1.00 0.00 C ATOM 1050 C ILE A 71 5.874 -15.672 -3.014 1.00 0.00 C ATOM 1051 O ILE A 71 6.281 -14.659 -3.576 1.00 0.00 O ATOM 1052 CB ILE A 71 7.445 -16.600 -1.208 1.00 0.00 C ATOM 1053 CG1 ILE A 71 8.361 -17.781 -0.799 1.00 0.00 C ATOM 1054 CG2 ILE A 71 6.369 -16.394 -0.126 1.00 0.00 C ATOM 1055 CD1 ILE A 71 7.664 -19.144 -0.656 1.00 0.00 C ATOM 0 H ILE A 71 8.330 -15.785 -3.723 1.00 0.00 H new ATOM 0 HA ILE A 71 6.338 -17.728 -2.632 1.00 0.00 H new ATOM 0 HB ILE A 71 8.041 -15.689 -1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 71 9.155 -17.875 -1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.838 -17.536 0.150 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.848 -16.280 0.847 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.792 -15.498 -0.353 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.705 -17.258 -0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 71 8.396 -19.898 -0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.890 -19.078 0.108 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.212 -19.423 -1.608 1.00 0.00 H new ATOM 1067 N ASP A 72 4.577 -15.868 -2.769 1.00 0.00 N ATOM 1068 CA ASP A 72 3.584 -14.839 -3.074 1.00 0.00 C ATOM 1069 C ASP A 72 3.535 -13.859 -1.903 1.00 0.00 C ATOM 1070 O ASP A 72 3.706 -14.265 -0.746 1.00 0.00 O ATOM 1071 CB ASP A 72 2.235 -15.486 -3.402 1.00 0.00 C ATOM 1072 CG ASP A 72 1.266 -14.541 -4.128 1.00 0.00 C ATOM 1073 OD1 ASP A 72 1.549 -13.327 -4.211 1.00 0.00 O ATOM 1074 OD2 ASP A 72 0.261 -15.064 -4.669 1.00 0.00 O ATOM 0 H ASP A 72 4.193 -16.722 -2.364 1.00 0.00 H new ATOM 0 HA ASP A 72 3.857 -14.272 -3.964 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.404 -16.367 -4.021 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.771 -15.830 -2.478 1.00 0.00 H new ATOM 1079 N TYR A 73 3.358 -12.572 -2.186 1.00 0.00 N ATOM 1080 CA TYR A 73 3.548 -11.453 -1.271 1.00 0.00 C ATOM 1081 C TYR A 73 2.330 -10.528 -1.455 1.00 0.00 C ATOM 1082 O TYR A 73 2.161 -9.925 -2.521 1.00 0.00 O ATOM 1083 CB TYR A 73 4.888 -10.728 -1.573 1.00 0.00 C ATOM 1084 CG TYR A 73 6.143 -11.097 -0.784 1.00 0.00 C ATOM 1085 CD1 TYR A 73 6.550 -12.436 -0.642 1.00 0.00 C ATOM 1086 CD2 TYR A 73 6.984 -10.074 -0.283 1.00 0.00 C ATOM 1087 CE1 TYR A 73 7.744 -12.754 0.031 1.00 0.00 C ATOM 1088 CE2 TYR A 73 8.168 -10.384 0.415 1.00 0.00 C ATOM 1089 CZ TYR A 73 8.556 -11.734 0.571 1.00 0.00 C ATOM 1090 OH TYR A 73 9.711 -12.072 1.210 1.00 0.00 O ATOM 0 H TYR A 73 3.061 -12.266 -3.113 1.00 0.00 H new ATOM 0 HA TYR A 73 3.612 -11.783 -0.234 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.110 -10.881 -2.629 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.719 -9.660 -1.435 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.941 -13.227 -1.053 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.714 -9.040 -0.438 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.041 -13.787 0.135 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.776 -9.593 0.829 1.00 0.00 H new ATOM 0 HH TYR A 73 10.160 -11.260 1.525 1.00 0.00 H new ATOM 1100 N ASP A 74 1.493 -10.412 -0.417 1.00 0.00 N ATOM 1101 CA ASP A 74 0.307 -9.548 -0.359 1.00 0.00 C ATOM 1102 C ASP A 74 0.784 -8.159 0.056 1.00 0.00 C ATOM 1103 O ASP A 74 1.072 -7.945 1.243 1.00 0.00 O ATOM 1104 CB ASP A 74 -0.712 -10.027 0.716 1.00 0.00 C ATOM 1105 CG ASP A 74 -1.876 -10.902 0.260 1.00 0.00 C ATOM 1106 OD1 ASP A 74 -2.585 -10.511 -0.692 1.00 0.00 O ATOM 1107 OD2 ASP A 74 -2.182 -11.941 0.889 1.00 0.00 O ATOM 0 H ASP A 74 1.630 -10.941 0.444 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.184 -9.563 -1.332 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.160 -10.577 1.478 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.128 -9.143 1.199 1.00 0.00 H new ATOM 1112 N ILE A 75 0.880 -7.210 -0.883 1.00 0.00 N ATOM 1113 CA ILE A 75 1.235 -5.836 -0.538 1.00 0.00 C ATOM 1114 C ILE A 75 -0.075 -5.088 -0.310 1.00 0.00 C ATOM 1115 O ILE A 75 -0.829 -4.812 -1.248 1.00 0.00 O ATOM 1116 CB ILE A 75 2.110 -5.121 -1.590 1.00 0.00 C ATOM 1117 CG1 ILE A 75 3.268 -5.972 -2.150 1.00 0.00 C ATOM 1118 CG2 ILE A 75 2.549 -3.747 -1.032 1.00 0.00 C ATOM 1119 CD1 ILE A 75 2.958 -6.291 -3.614 1.00 0.00 C ATOM 0 H ILE A 75 0.718 -7.370 -1.877 1.00 0.00 H new ATOM 0 HA ILE A 75 1.858 -5.851 0.356 1.00 0.00 H new ATOM 0 HB ILE A 75 1.499 -4.956 -2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.211 -5.432 -2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.377 -6.891 -1.575 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.168 -3.236 -1.769 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.667 -3.143 -0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.122 -3.892 -0.116 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.764 -6.893 -4.034 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.021 -6.845 -3.675 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.868 -5.362 -4.178 1.00 0.00 H new ATOM 1131 N SER A 76 -0.367 -4.780 0.947 1.00 0.00 N ATOM 1132 CA SER A 76 -1.481 -3.941 1.345 1.00 0.00 C ATOM 1133 C SER A 76 -1.052 -2.497 1.472 1.00 0.00 C ATOM 1134 O SER A 76 0.055 -2.214 1.923 1.00 0.00 O ATOM 1135 CB SER A 76 -2.152 -4.484 2.606 1.00 0.00 C ATOM 1136 OG SER A 76 -1.273 -4.545 3.711 1.00 0.00 O ATOM 0 H SER A 76 0.182 -5.118 1.737 1.00 0.00 H new ATOM 0 HA SER A 76 -2.238 -3.967 0.561 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.004 -3.853 2.859 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.543 -5.481 2.403 1.00 0.00 H new ATOM 0 HG SER A 76 -0.346 -4.504 3.395 1.00 0.00 H new ATOM 1142 N VAL A 77 -1.953 -1.601 1.087 1.00 0.00 N ATOM 1143 CA VAL A 77 -1.769 -0.161 1.140 1.00 0.00 C ATOM 1144 C VAL A 77 -3.082 0.436 1.637 1.00 0.00 C ATOM 1145 O VAL A 77 -4.136 0.264 1.015 1.00 0.00 O ATOM 1146 CB VAL A 77 -1.341 0.406 -0.229 1.00 0.00 C ATOM 1147 CG1 VAL A 77 -1.042 1.920 -0.138 1.00 0.00 C ATOM 1148 CG2 VAL A 77 -0.153 -0.382 -0.819 1.00 0.00 C ATOM 0 H VAL A 77 -2.864 -1.870 0.716 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.961 0.104 1.821 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.177 0.283 -0.917 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.743 2.291 -1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.936 2.448 0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.236 2.089 0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.123 0.044 -1.784 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.697 -0.322 -0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.438 -1.426 -0.951 1.00 0.00 H new ATOM 1158 N ILE A 78 -3.041 1.123 2.773 1.00 0.00 N ATOM 1159 CA ILE A 78 -4.202 1.728 3.400 1.00 0.00 C ATOM 1160 C ILE A 78 -3.954 3.226 3.430 1.00 0.00 C ATOM 1161 O ILE A 78 -2.892 3.699 3.832 1.00 0.00 O ATOM 1162 CB ILE A 78 -4.490 1.111 4.783 1.00 0.00 C ATOM 1163 CG1 ILE A 78 -4.525 -0.430 4.637 1.00 0.00 C ATOM 1164 CG2 ILE A 78 -5.810 1.692 5.336 1.00 0.00 C ATOM 1165 CD1 ILE A 78 -5.226 -1.163 5.774 1.00 0.00 C ATOM 0 H ILE A 78 -2.177 1.276 3.293 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.111 1.530 2.832 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.708 1.359 5.501 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.022 -0.681 3.700 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.501 -0.797 4.563 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.017 1.258 6.314 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.720 2.774 5.431 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.626 1.455 4.654 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.201 -2.236 5.585 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.717 -0.948 6.714 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.262 -0.830 5.838 1.00 0.00 H new ATOM 1177 N THR A 79 -4.942 3.966 2.956 1.00 0.00 N ATOM 1178 CA THR A 79 -4.994 5.404 3.045 1.00 0.00 C ATOM 1179 C THR A 79 -5.697 5.729 4.355 1.00 0.00 C ATOM 1180 O THR A 79 -6.740 5.142 4.660 1.00 0.00 O ATOM 1181 CB THR A 79 -5.759 5.916 1.822 1.00 0.00 C ATOM 1182 OG1 THR A 79 -5.113 5.487 0.645 1.00 0.00 O ATOM 1183 CG2 THR A 79 -5.875 7.441 1.807 1.00 0.00 C ATOM 0 H THR A 79 -5.752 3.564 2.485 1.00 0.00 H new ATOM 0 HA THR A 79 -4.013 5.880 3.045 1.00 0.00 H new ATOM 0 HB THR A 79 -6.768 5.506 1.874 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.775 5.373 -0.068 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.426 7.755 0.920 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.404 7.774 2.700 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.878 7.882 1.790 1.00 0.00 H new ATOM 1191 N LEU A 80 -5.126 6.640 5.134 1.00 0.00 N ATOM 1192 CA LEU A 80 -5.673 7.103 6.385 1.00 0.00 C ATOM 1193 C LEU A 80 -5.837 8.609 6.287 1.00 0.00 C ATOM 1194 O LEU A 80 -4.897 9.333 5.949 1.00 0.00 O ATOM 1195 CB LEU A 80 -4.799 6.714 7.575 1.00 0.00 C ATOM 1196 CG LEU A 80 -3.274 6.713 7.366 1.00 0.00 C ATOM 1197 CD1 LEU A 80 -2.612 7.131 8.679 1.00 0.00 C ATOM 1198 CD2 LEU A 80 -2.777 5.327 6.950 1.00 0.00 C ATOM 0 H LEU A 80 -4.240 7.086 4.896 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.638 6.627 6.560 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.026 7.395 8.396 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.095 5.716 7.898 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.017 7.410 6.568 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.529 7.137 8.555 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.951 8.129 8.956 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.883 6.425 9.464 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.697 5.355 6.809 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.023 4.604 7.728 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.257 5.033 6.017 1.00 0.00 H new ATOM 1210 N ILE A 81 -7.045 9.077 6.572 1.00 0.00 N ATOM 1211 CA ILE A 81 -7.406 10.485 6.530 1.00 0.00 C ATOM 1212 C ILE A 81 -7.851 10.908 7.931 1.00 0.00 C ATOM 1213 O ILE A 81 -7.846 10.095 8.861 1.00 0.00 O ATOM 1214 CB ILE A 81 -8.436 10.776 5.403 1.00 0.00 C ATOM 1215 CG1 ILE A 81 -9.913 10.519 5.789 1.00 0.00 C ATOM 1216 CG2 ILE A 81 -8.105 9.994 4.113 1.00 0.00 C ATOM 1217 CD1 ILE A 81 -10.908 11.247 4.874 1.00 0.00 C ATOM 0 H ILE A 81 -7.819 8.472 6.845 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.547 11.100 6.262 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.340 11.848 5.229 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -10.111 9.448 5.752 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -10.074 10.838 6.819 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.847 10.223 3.348 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.116 10.282 3.757 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.118 8.924 4.322 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.926 11.027 5.196 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.734 12.322 4.929 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.771 10.910 3.847 1.00 0.00 H new ATOM 1229 N ASN A 82 -8.279 12.164 8.055 1.00 0.00 N ATOM 1230 CA ASN A 82 -8.939 12.742 9.215 1.00 0.00 C ATOM 1231 C ASN A 82 -9.830 11.701 9.893 1.00 0.00 C ATOM 1232 O ASN A 82 -10.854 11.332 9.327 1.00 0.00 O ATOM 1233 CB ASN A 82 -9.782 13.938 8.728 1.00 0.00 C ATOM 1234 CG ASN A 82 -10.763 14.454 9.771 1.00 0.00 C ATOM 1235 OD1 ASN A 82 -10.552 15.521 10.342 1.00 0.00 O ATOM 1236 ND2 ASN A 82 -11.865 13.758 9.985 1.00 0.00 N ATOM 0 H ASN A 82 -8.165 12.842 7.301 1.00 0.00 H new ATOM 0 HA ASN A 82 -8.201 13.073 9.946 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -9.114 14.749 8.437 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -10.334 13.644 7.836 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -12.568 14.104 10.639 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -12.013 12.875 9.496 1.00 0.00 H new ATOM 1243 N GLY A 83 -9.412 11.233 11.078 1.00 0.00 N ATOM 1244 CA GLY A 83 -10.122 10.272 11.912 1.00 0.00 C ATOM 1245 C GLY A 83 -10.706 9.062 11.175 1.00 0.00 C ATOM 1246 O GLY A 83 -11.718 8.532 11.632 1.00 0.00 O ATOM 0 H GLY A 83 -8.530 11.532 11.493 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.440 9.912 12.682 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.933 10.790 12.423 1.00 0.00 H new ATOM 1250 N GLY A 84 -10.150 8.652 10.033 1.00 0.00 N ATOM 1251 CA GLY A 84 -10.788 7.712 9.129 1.00 0.00 C ATOM 1252 C GLY A 84 -9.758 6.858 8.380 1.00 0.00 C ATOM 1253 O GLY A 84 -8.598 7.259 8.241 1.00 0.00 O ATOM 0 H GLY A 84 -9.235 8.970 9.713 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.458 7.063 9.692 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.401 8.257 8.411 1.00 0.00 H new ATOM 1257 N GLU A 85 -10.177 5.706 7.856 1.00 0.00 N ATOM 1258 CA GLU A 85 -9.392 4.807 7.009 1.00 0.00 C ATOM 1259 C GLU A 85 -10.225 4.437 5.788 1.00 0.00 C ATOM 1260 O GLU A 85 -11.438 4.224 5.891 1.00 0.00 O ATOM 1261 CB GLU A 85 -8.999 3.516 7.749 1.00 0.00 C ATOM 1262 CG GLU A 85 -7.675 3.662 8.507 1.00 0.00 C ATOM 1263 CD GLU A 85 -7.126 2.341 9.067 1.00 0.00 C ATOM 1264 OE1 GLU A 85 -7.572 1.238 8.677 1.00 0.00 O ATOM 1265 OE2 GLU A 85 -6.172 2.414 9.872 1.00 0.00 O ATOM 0 H GLU A 85 -11.121 5.357 8.019 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.476 5.324 6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.789 3.247 8.450 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.917 2.699 7.032 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.932 4.098 7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.815 4.363 9.330 1.00 0.00 H new ATOM 1272 N SER A 86 -9.570 4.348 4.633 1.00 0.00 N ATOM 1273 CA SER A 86 -10.186 3.930 3.387 1.00 0.00 C ATOM 1274 C SER A 86 -10.182 2.402 3.280 1.00 0.00 C ATOM 1275 O SER A 86 -9.825 1.690 4.221 1.00 0.00 O ATOM 1276 CB SER A 86 -9.453 4.565 2.203 1.00 0.00 C ATOM 1277 OG SER A 86 -9.020 5.888 2.455 1.00 0.00 O ATOM 0 H SER A 86 -8.579 4.569 4.541 1.00 0.00 H new ATOM 0 HA SER A 86 -11.222 4.267 3.370 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.590 3.950 1.948 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.112 4.565 1.335 1.00 0.00 H new ATOM 0 HG SER A 86 -9.233 6.454 1.684 1.00 0.00 H new ATOM 1283 N ALA A 87 -10.581 1.890 2.115 1.00 0.00 N ATOM 1284 CA ALA A 87 -10.604 0.467 1.827 1.00 0.00 C ATOM 1285 C ALA A 87 -9.186 -0.125 1.929 1.00 0.00 C ATOM 1286 O ALA A 87 -8.248 0.499 1.411 1.00 0.00 O ATOM 1287 CB ALA A 87 -11.201 0.261 0.434 1.00 0.00 C ATOM 0 H ALA A 87 -10.901 2.467 1.337 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.222 -0.054 2.558 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.225 -0.804 0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.215 0.661 0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.589 0.779 -0.304 1.00 0.00 H new ATOM 1293 N PRO A 88 -9.004 -1.301 2.564 1.00 0.00 N ATOM 1294 CA PRO A 88 -7.703 -1.912 2.789 1.00 0.00 C ATOM 1295 C PRO A 88 -7.201 -2.486 1.463 1.00 0.00 C ATOM 1296 O PRO A 88 -7.459 -3.648 1.136 1.00 0.00 O ATOM 1297 CB PRO A 88 -7.924 -2.973 3.874 1.00 0.00 C ATOM 1298 CG PRO A 88 -9.368 -3.404 3.636 1.00 0.00 C ATOM 1299 CD PRO A 88 -10.052 -2.142 3.117 1.00 0.00 C ATOM 0 HA PRO A 88 -6.937 -1.214 3.128 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.231 -3.808 3.771 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.784 -2.564 4.874 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.427 -4.216 2.912 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.834 -3.761 4.554 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.794 -2.388 2.357 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -10.578 -1.628 3.921 1.00 0.00 H new ATOM 1307 N THR A 89 -6.522 -1.657 0.678 1.00 0.00 N ATOM 1308 CA THR A 89 -6.259 -1.926 -0.722 1.00 0.00 C ATOM 1309 C THR A 89 -5.014 -2.794 -0.821 1.00 0.00 C ATOM 1310 O THR A 89 -3.889 -2.289 -0.841 1.00 0.00 O ATOM 1311 CB THR A 89 -6.148 -0.604 -1.486 1.00 0.00 C ATOM 1312 OG1 THR A 89 -7.287 0.199 -1.204 1.00 0.00 O ATOM 1313 CG2 THR A 89 -6.095 -0.842 -2.999 1.00 0.00 C ATOM 0 H THR A 89 -6.136 -0.771 1.004 1.00 0.00 H new ATOM 0 HA THR A 89 -7.077 -2.478 -1.185 1.00 0.00 H new ATOM 0 HB THR A 89 -5.231 -0.108 -1.169 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.395 0.285 -0.234 1.00 0.00 H new ATOM 0 HG21 THR A 89 -6.016 0.115 -3.515 1.00 0.00 H new ATOM 0 HG22 THR A 89 -5.228 -1.457 -3.240 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.003 -1.353 -3.319 1.00 0.00 H new ATOM 1321 N THR A 90 -5.205 -4.103 -0.843 1.00 0.00 N ATOM 1322 CA THR A 90 -4.136 -5.046 -1.105 1.00 0.00 C ATOM 1323 C THR A 90 -4.140 -5.383 -2.592 1.00 0.00 C ATOM 1324 O THR A 90 -5.197 -5.367 -3.232 1.00 0.00 O ATOM 1325 CB THR A 90 -4.344 -6.295 -0.243 1.00 0.00 C ATOM 1326 OG1 THR A 90 -4.903 -6.035 1.037 1.00 0.00 O ATOM 1327 CG2 THR A 90 -3.101 -7.167 -0.059 1.00 0.00 C ATOM 0 H THR A 90 -6.111 -4.541 -0.678 1.00 0.00 H new ATOM 0 HA THR A 90 -3.166 -4.619 -0.849 1.00 0.00 H new ATOM 0 HB THR A 90 -5.066 -6.852 -0.840 1.00 0.00 H new ATOM 0 HG1 THR A 90 -5.007 -6.878 1.526 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.348 -8.026 0.565 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.753 -7.514 -1.032 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.315 -6.584 0.421 1.00 0.00 H new ATOM 1335 N LEU A 91 -2.962 -5.701 -3.127 1.00 0.00 N ATOM 1336 CA LEU A 91 -2.796 -6.432 -4.370 1.00 0.00 C ATOM 1337 C LEU A 91 -1.724 -7.496 -4.135 1.00 0.00 C ATOM 1338 O LEU A 91 -0.781 -7.261 -3.376 1.00 0.00 O ATOM 1339 CB LEU A 91 -2.512 -5.496 -5.554 1.00 0.00 C ATOM 1340 CG LEU A 91 -3.714 -4.684 -6.063 1.00 0.00 C ATOM 1341 CD1 LEU A 91 -3.215 -3.679 -7.104 1.00 0.00 C ATOM 1342 CD2 LEU A 91 -4.805 -5.569 -6.675 1.00 0.00 C ATOM 0 H LEU A 91 -2.076 -5.447 -2.691 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.721 -6.932 -4.657 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.724 -4.801 -5.264 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.123 -6.092 -6.380 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.164 -4.173 -5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.055 -3.093 -7.477 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.484 -3.013 -6.646 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.750 -4.214 -7.932 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.630 -4.945 -7.018 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.394 -6.123 -7.519 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.169 -6.270 -5.924 1.00 0.00 H new ATOM 1354 N THR A 92 -1.882 -8.663 -4.757 1.00 0.00 N ATOM 1355 CA THR A 92 -1.087 -9.860 -4.503 1.00 0.00 C ATOM 1356 C THR A 92 -0.501 -10.311 -5.847 1.00 0.00 C ATOM 1357 O THR A 92 -1.228 -10.397 -6.847 1.00 0.00 O ATOM 1358 CB THR A 92 -1.997 -10.893 -3.796 1.00 0.00 C ATOM 1359 OG1 THR A 92 -1.337 -11.466 -2.704 1.00 0.00 O ATOM 1360 CG2 THR A 92 -2.546 -12.041 -4.638 1.00 0.00 C ATOM 0 H THR A 92 -2.592 -8.805 -5.476 1.00 0.00 H new ATOM 0 HA THR A 92 -0.241 -9.701 -3.834 1.00 0.00 H new ATOM 0 HB THR A 92 -2.857 -10.285 -3.516 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.943 -11.497 -1.935 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.166 -12.686 -4.015 1.00 0.00 H new ATOM 0 HG22 THR A 92 -3.147 -11.639 -5.454 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.718 -12.620 -5.048 1.00 0.00 H new ATOM 1368 N GLN A 93 0.808 -10.545 -5.906 1.00 0.00 N ATOM 1369 CA GLN A 93 1.520 -11.059 -7.074 1.00 0.00 C ATOM 1370 C GLN A 93 2.766 -11.784 -6.572 1.00 0.00 C ATOM 1371 O GLN A 93 3.536 -11.209 -5.798 1.00 0.00 O ATOM 1372 CB GLN A 93 1.943 -9.927 -8.035 1.00 0.00 C ATOM 1373 CG GLN A 93 0.894 -9.455 -9.052 1.00 0.00 C ATOM 1374 CD GLN A 93 0.400 -10.574 -9.966 1.00 0.00 C ATOM 1375 OE1 GLN A 93 1.110 -11.053 -10.849 1.00 0.00 O ATOM 1376 NE2 GLN A 93 -0.835 -11.004 -9.798 1.00 0.00 N ATOM 0 H GLN A 93 1.425 -10.375 -5.112 1.00 0.00 H new ATOM 0 HA GLN A 93 0.860 -11.727 -7.628 1.00 0.00 H new ATOM 0 HB2 GLN A 93 2.246 -9.068 -7.436 1.00 0.00 H new ATOM 0 HB3 GLN A 93 2.824 -10.259 -8.585 1.00 0.00 H new ATOM 0 HG2 GLN A 93 0.045 -9.029 -8.518 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.320 -8.658 -9.661 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.419 -10.603 -9.064 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.206 -11.737 -10.402 1.00 0.00 H new ATOM 1385 N GLN A 94 2.996 -13.009 -7.037 1.00 0.00 N ATOM 1386 CA GLN A 94 4.245 -13.704 -6.797 1.00 0.00 C ATOM 1387 C GLN A 94 5.301 -13.129 -7.735 1.00 0.00 C ATOM 1388 O GLN A 94 5.014 -12.947 -8.928 1.00 0.00 O ATOM 1389 CB GLN A 94 4.074 -15.207 -7.047 1.00 0.00 C ATOM 1390 CG GLN A 94 5.116 -15.990 -6.247 1.00 0.00 C ATOM 1391 CD GLN A 94 5.591 -17.264 -6.916 1.00 0.00 C ATOM 1392 OE1 GLN A 94 4.931 -18.303 -6.893 1.00 0.00 O ATOM 1393 NE2 GLN A 94 6.793 -17.248 -7.454 1.00 0.00 N ATOM 0 H GLN A 94 2.322 -13.541 -7.588 1.00 0.00 H new ATOM 0 HA GLN A 94 4.553 -13.568 -5.760 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.071 -15.521 -6.759 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.182 -15.422 -8.110 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.977 -15.346 -6.067 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.696 -16.240 -5.273 1.00 0.00 H new ATOM 0 HE21 GLN A 94 7.333 -16.383 -7.469 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.183 -18.100 -7.856 1.00 0.00 H new ATOM 1402 N THR A 95 6.517 -12.900 -7.241 1.00 0.00 N ATOM 1403 CA THR A 95 7.672 -12.693 -8.097 1.00 0.00 C ATOM 1404 C THR A 95 8.248 -14.060 -8.468 1.00 0.00 C ATOM 1405 O THR A 95 8.361 -14.969 -7.614 1.00 0.00 O ATOM 1406 CB THR A 95 8.651 -11.685 -7.468 1.00 0.00 C ATOM 1407 OG1 THR A 95 8.899 -11.913 -6.099 1.00 0.00 O ATOM 1408 CG2 THR A 95 8.083 -10.265 -7.555 1.00 0.00 C ATOM 1409 OXT THR A 95 8.422 -14.284 -9.688 1.00 0.00 O ATOM 0 H THR A 95 6.723 -12.854 -6.243 1.00 0.00 H new ATOM 0 HA THR A 95 7.401 -12.217 -9.039 1.00 0.00 H new ATOM 0 HB THR A 95 9.576 -11.808 -8.031 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.528 -11.240 -5.764 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.786 -9.564 -7.106 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.924 -10.000 -8.600 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.134 -10.219 -7.020 1.00 0.00 H new TER 1417 THR A 95