USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 557 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 42 SER OG : rot 98:sc= 0.303 USER MOD Set 1.2: A 45 HIS : no HD1:sc= -10.2! C(o=-9.9!,f=-17!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 51:sc=0.000835 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00983 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0137 X(o=-0.014,f=0) USER MOD Single : A 29 ASN : amide:sc= -3.42! C(o=-3.4!,f=-18!) USER MOD Single : A 35 GLN : amide:sc= -4.95! C(o=-5!,f=-6.7!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 152:sc= -7.61! (180deg=-9.98!) USER MOD Single : A 43 GLN : amide:sc= -0.0058 K(o=-0.0058,f=-0.8) USER MOD Single : A 46 CYS SG : rot 125:sc= -6.37! USER MOD Single : A 47 GLN : amide:sc=-0.00912 K(o=-0.0091,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= 0.0876 (180deg=0.076) USER MOD Single : A 52 ASN : amide:sc= -4.54! C(o=-4.5!,f=-4.8!) USER MOD Single : A 53 THR OG1 : rot -23:sc= 0.96 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -5.51! C(o=-5.5!,f=-5.7!) USER MOD Single : A 62 MET CE :methyl -142:sc= -7.93! (180deg=-10.3!) USER MOD Single : A 63 ASN : amide:sc= -0.385 K(o=-0.39,f=-2!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -8.66! C(o=-8.7!,f=-10!) USER MOD Single : A 69 MET CE :methyl -123:sc= -0.0601 (180deg=-1.35) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.506 -12.987 16.248 1.00 0.00 N ATOM 2 CA GLY A 1 24.284 -13.246 15.506 1.00 0.00 C ATOM 3 C GLY A 1 24.350 -12.625 14.109 1.00 0.00 C ATOM 4 O GLY A 1 24.474 -13.338 13.114 1.00 0.00 O ATOM 0 H1 GLY A 1 25.437 -13.418 17.192 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.315 -13.397 15.739 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.642 -11.961 16.345 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.125 -14.321 15.423 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.431 -12.839 16.049 1.00 0.00 H new ATOM 8 N SER A 2 24.263 -11.304 14.079 1.00 0.00 N ATOM 9 CA SER A 2 24.311 -10.579 12.820 1.00 0.00 C ATOM 10 C SER A 2 24.533 -9.088 13.083 1.00 0.00 C ATOM 11 O SER A 2 23.882 -8.502 13.946 1.00 0.00 O ATOM 12 CB SER A 2 23.028 -10.790 12.014 1.00 0.00 C ATOM 13 OG SER A 2 23.260 -11.548 10.830 1.00 0.00 O ATOM 0 H SER A 2 24.160 -10.716 14.906 1.00 0.00 H new ATOM 0 HA SER A 2 25.144 -10.966 12.234 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.291 -11.301 12.633 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.604 -9.822 11.747 1.00 0.00 H new ATOM 0 HG SER A 2 23.747 -12.368 11.057 1.00 0.00 H new ATOM 19 N SER A 3 25.455 -8.517 12.322 1.00 0.00 N ATOM 20 CA SER A 3 25.772 -7.106 12.462 1.00 0.00 C ATOM 21 C SER A 3 25.142 -6.312 11.315 1.00 0.00 C ATOM 22 O SER A 3 25.195 -5.083 11.303 1.00 0.00 O ATOM 23 CB SER A 3 27.285 -6.881 12.494 1.00 0.00 C ATOM 24 OG SER A 3 27.982 -7.825 11.687 1.00 0.00 O ATOM 0 H SER A 3 25.993 -9.006 11.606 1.00 0.00 H new ATOM 0 HA SER A 3 25.360 -6.756 13.408 1.00 0.00 H new ATOM 0 HB2 SER A 3 27.509 -5.872 12.147 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.640 -6.951 13.522 1.00 0.00 H new ATOM 0 HG SER A 3 28.945 -7.647 11.733 1.00 0.00 H new ATOM 30 N GLY A 4 24.560 -7.047 10.379 1.00 0.00 N ATOM 31 CA GLY A 4 23.921 -6.428 9.231 1.00 0.00 C ATOM 32 C GLY A 4 24.528 -6.939 7.923 1.00 0.00 C ATOM 33 O GLY A 4 25.149 -8.000 7.896 1.00 0.00 O ATOM 0 H GLY A 4 24.518 -8.066 10.393 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.852 -6.640 9.247 1.00 0.00 H new ATOM 0 HA3 GLY A 4 24.032 -5.345 9.289 1.00 0.00 H new ATOM 37 N SER A 5 24.328 -6.159 6.870 1.00 0.00 N ATOM 38 CA SER A 5 24.848 -6.520 5.562 1.00 0.00 C ATOM 39 C SER A 5 25.477 -5.296 4.894 1.00 0.00 C ATOM 40 O SER A 5 25.144 -4.160 5.230 1.00 0.00 O ATOM 41 CB SER A 5 23.748 -7.103 4.673 1.00 0.00 C ATOM 42 OG SER A 5 24.267 -8.020 3.714 1.00 0.00 O ATOM 0 H SER A 5 23.813 -5.279 6.896 1.00 0.00 H new ATOM 0 HA SER A 5 25.612 -7.286 5.697 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.009 -7.608 5.295 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.231 -6.293 4.158 1.00 0.00 H new ATOM 0 HG SER A 5 23.534 -8.371 3.167 1.00 0.00 H new ATOM 48 N SER A 6 26.376 -5.568 3.959 1.00 0.00 N ATOM 49 CA SER A 6 27.055 -4.503 3.241 1.00 0.00 C ATOM 50 C SER A 6 27.104 -4.828 1.747 1.00 0.00 C ATOM 51 O SER A 6 27.346 -5.972 1.364 1.00 0.00 O ATOM 52 CB SER A 6 28.469 -4.286 3.783 1.00 0.00 C ATOM 53 OG SER A 6 28.925 -2.954 3.568 1.00 0.00 O ATOM 0 H SER A 6 26.650 -6.511 3.682 1.00 0.00 H new ATOM 0 HA SER A 6 26.494 -3.580 3.388 1.00 0.00 H new ATOM 0 HB2 SER A 6 28.486 -4.507 4.850 1.00 0.00 H new ATOM 0 HB3 SER A 6 29.153 -4.985 3.302 1.00 0.00 H new ATOM 0 HG SER A 6 29.831 -2.856 3.930 1.00 0.00 H new ATOM 59 N GLY A 7 26.869 -3.802 0.942 1.00 0.00 N ATOM 60 CA GLY A 7 26.883 -3.964 -0.502 1.00 0.00 C ATOM 61 C GLY A 7 27.991 -3.121 -1.137 1.00 0.00 C ATOM 62 O GLY A 7 29.107 -3.066 -0.623 1.00 0.00 O ATOM 0 H GLY A 7 26.668 -2.855 1.263 1.00 0.00 H new ATOM 0 HA2 GLY A 7 27.031 -5.014 -0.752 1.00 0.00 H new ATOM 0 HA3 GLY A 7 25.917 -3.672 -0.914 1.00 0.00 H new ATOM 66 N GLY A 8 27.644 -2.486 -2.247 1.00 0.00 N ATOM 67 CA GLY A 8 28.595 -1.649 -2.959 1.00 0.00 C ATOM 68 C GLY A 8 27.874 -0.648 -3.865 1.00 0.00 C ATOM 69 O GLY A 8 26.703 -0.835 -4.193 1.00 0.00 O ATOM 0 H GLY A 8 26.717 -2.534 -2.671 1.00 0.00 H new ATOM 0 HA2 GLY A 8 29.220 -1.113 -2.244 1.00 0.00 H new ATOM 0 HA3 GLY A 8 29.258 -2.274 -3.557 1.00 0.00 H new ATOM 73 N GLU A 9 28.603 0.391 -4.243 1.00 0.00 N ATOM 74 CA GLU A 9 28.048 1.421 -5.104 1.00 0.00 C ATOM 75 C GLU A 9 28.308 1.082 -6.573 1.00 0.00 C ATOM 76 O GLU A 9 29.455 1.066 -7.016 1.00 0.00 O ATOM 77 CB GLU A 9 28.616 2.797 -4.750 1.00 0.00 C ATOM 78 CG GLU A 9 30.109 2.873 -5.075 1.00 0.00 C ATOM 79 CD GLU A 9 30.816 3.885 -4.170 1.00 0.00 C ATOM 80 OE1 GLU A 9 30.564 3.826 -2.947 1.00 0.00 O ATOM 81 OE2 GLU A 9 31.592 4.694 -4.722 1.00 0.00 O ATOM 0 H GLU A 9 29.574 0.542 -3.969 1.00 0.00 H new ATOM 0 HA GLU A 9 26.970 1.458 -4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 9 28.080 3.569 -5.302 1.00 0.00 H new ATOM 0 HB3 GLU A 9 28.460 2.997 -3.690 1.00 0.00 H new ATOM 0 HG2 GLU A 9 30.562 1.890 -4.951 1.00 0.00 H new ATOM 0 HG3 GLU A 9 30.244 3.157 -6.119 1.00 0.00 H new ATOM 88 N GLU A 10 27.223 0.818 -7.287 1.00 0.00 N ATOM 89 CA GLU A 10 27.320 0.480 -8.697 1.00 0.00 C ATOM 90 C GLU A 10 25.924 0.294 -9.295 1.00 0.00 C ATOM 91 O GLU A 10 24.955 0.087 -8.566 1.00 0.00 O ATOM 92 CB GLU A 10 28.175 -0.772 -8.903 1.00 0.00 C ATOM 93 CG GLU A 10 29.196 -0.560 -10.023 1.00 0.00 C ATOM 94 CD GLU A 10 30.521 -1.251 -9.696 1.00 0.00 C ATOM 95 OE1 GLU A 10 30.457 -2.352 -9.107 1.00 0.00 O ATOM 96 OE2 GLU A 10 31.568 -0.663 -10.042 1.00 0.00 O ATOM 0 H GLU A 10 26.273 0.831 -6.916 1.00 0.00 H new ATOM 0 HA GLU A 10 27.810 1.304 -9.215 1.00 0.00 H new ATOM 0 HB2 GLU A 10 28.693 -1.020 -7.976 1.00 0.00 H new ATOM 0 HB3 GLU A 10 27.533 -1.619 -9.146 1.00 0.00 H new ATOM 0 HG2 GLU A 10 28.800 -0.951 -10.960 1.00 0.00 H new ATOM 0 HG3 GLU A 10 29.365 0.507 -10.169 1.00 0.00 H new ATOM 103 N LEU A 11 25.866 0.375 -10.616 1.00 0.00 N ATOM 104 CA LEU A 11 24.604 0.219 -11.321 1.00 0.00 C ATOM 105 C LEU A 11 24.201 -1.257 -11.315 1.00 0.00 C ATOM 106 O LEU A 11 25.054 -2.136 -11.204 1.00 0.00 O ATOM 107 CB LEU A 11 24.695 0.826 -12.722 1.00 0.00 C ATOM 108 CG LEU A 11 26.015 0.609 -13.463 1.00 0.00 C ATOM 109 CD1 LEU A 11 25.775 0.376 -14.956 1.00 0.00 C ATOM 110 CD2 LEU A 11 26.981 1.769 -13.213 1.00 0.00 C ATOM 0 H LEU A 11 26.672 0.547 -11.217 1.00 0.00 H new ATOM 0 HA LEU A 11 23.812 0.768 -10.812 1.00 0.00 H new ATOM 0 HB2 LEU A 11 23.889 0.413 -13.328 1.00 0.00 H new ATOM 0 HB3 LEU A 11 24.517 1.899 -12.644 1.00 0.00 H new ATOM 0 HG LEU A 11 26.484 -0.292 -13.068 1.00 0.00 H new ATOM 0 HD11 LEU A 11 26.730 0.225 -15.459 1.00 0.00 H new ATOM 0 HD12 LEU A 11 25.150 -0.507 -15.091 1.00 0.00 H new ATOM 0 HD13 LEU A 11 25.273 1.244 -15.384 1.00 0.00 H new ATOM 0 HD21 LEU A 11 27.912 1.590 -13.751 1.00 0.00 H new ATOM 0 HD22 LEU A 11 26.532 2.698 -13.564 1.00 0.00 H new ATOM 0 HD23 LEU A 11 27.188 1.846 -12.146 1.00 0.00 H new ATOM 122 N LEU A 12 22.901 -1.483 -11.435 1.00 0.00 N ATOM 123 CA LEU A 12 22.375 -2.837 -11.445 1.00 0.00 C ATOM 124 C LEU A 12 23.314 -3.739 -12.248 1.00 0.00 C ATOM 125 O LEU A 12 23.269 -3.750 -13.477 1.00 0.00 O ATOM 126 CB LEU A 12 20.931 -2.847 -11.951 1.00 0.00 C ATOM 127 CG LEU A 12 20.729 -2.435 -13.410 1.00 0.00 C ATOM 128 CD1 LEU A 12 20.388 -3.646 -14.280 1.00 0.00 C ATOM 129 CD2 LEU A 12 19.676 -1.331 -13.527 1.00 0.00 C ATOM 0 H LEU A 12 22.197 -0.751 -11.526 1.00 0.00 H new ATOM 0 HA LEU A 12 22.337 -3.238 -10.432 1.00 0.00 H new ATOM 0 HB2 LEU A 12 20.527 -3.851 -11.818 1.00 0.00 H new ATOM 0 HB3 LEU A 12 20.342 -2.181 -11.321 1.00 0.00 H new ATOM 0 HG LEU A 12 21.668 -2.026 -13.782 1.00 0.00 H new ATOM 0 HD11 LEU A 12 20.250 -3.325 -15.312 1.00 0.00 H new ATOM 0 HD12 LEU A 12 21.202 -4.370 -14.231 1.00 0.00 H new ATOM 0 HD13 LEU A 12 19.470 -4.108 -13.917 1.00 0.00 H new ATOM 0 HD21 LEU A 12 19.552 -1.056 -14.574 1.00 0.00 H new ATOM 0 HD22 LEU A 12 18.726 -1.691 -13.131 1.00 0.00 H new ATOM 0 HD23 LEU A 12 19.999 -0.458 -12.959 1.00 0.00 H new ATOM 141 N PRO A 13 24.165 -4.493 -11.501 1.00 0.00 N ATOM 142 CA PRO A 13 25.113 -5.396 -12.130 1.00 0.00 C ATOM 143 C PRO A 13 24.411 -6.649 -12.657 1.00 0.00 C ATOM 144 O PRO A 13 24.624 -7.746 -12.145 1.00 0.00 O ATOM 145 CB PRO A 13 26.141 -5.700 -11.053 1.00 0.00 C ATOM 146 CG PRO A 13 25.483 -5.333 -9.733 1.00 0.00 C ATOM 147 CD PRO A 13 24.246 -4.505 -10.043 1.00 0.00 C ATOM 0 HA PRO A 13 25.591 -4.959 -13.007 1.00 0.00 H new ATOM 0 HB2 PRO A 13 26.424 -6.753 -11.069 1.00 0.00 H new ATOM 0 HB3 PRO A 13 27.052 -5.123 -11.209 1.00 0.00 H new ATOM 0 HG2 PRO A 13 25.212 -6.232 -9.179 1.00 0.00 H new ATOM 0 HG3 PRO A 13 26.173 -4.768 -9.106 1.00 0.00 H new ATOM 0 HD2 PRO A 13 23.353 -4.946 -9.600 1.00 0.00 H new ATOM 0 HD3 PRO A 13 24.335 -3.495 -9.643 1.00 0.00 H new ATOM 155 N ASP A 14 23.587 -6.443 -13.675 1.00 0.00 N ATOM 156 CA ASP A 14 22.852 -7.542 -14.277 1.00 0.00 C ATOM 157 C ASP A 14 22.353 -8.480 -13.176 1.00 0.00 C ATOM 158 O ASP A 14 23.041 -9.430 -12.806 1.00 0.00 O ATOM 159 CB ASP A 14 23.746 -8.352 -15.218 1.00 0.00 C ATOM 160 CG ASP A 14 23.352 -8.291 -16.695 1.00 0.00 C ATOM 161 OD1 ASP A 14 22.317 -8.906 -17.033 1.00 0.00 O ATOM 162 OD2 ASP A 14 24.094 -7.631 -17.454 1.00 0.00 O ATOM 0 H ASP A 14 23.413 -5.531 -14.098 1.00 0.00 H new ATOM 0 HA ASP A 14 22.020 -7.122 -14.842 1.00 0.00 H new ATOM 0 HB2 ASP A 14 24.771 -7.997 -15.116 1.00 0.00 H new ATOM 0 HB3 ASP A 14 23.736 -9.394 -14.897 1.00 0.00 H new ATOM 167 N GLY A 15 21.161 -8.180 -12.682 1.00 0.00 N ATOM 168 CA GLY A 15 20.562 -8.984 -11.631 1.00 0.00 C ATOM 169 C GLY A 15 19.782 -10.162 -12.219 1.00 0.00 C ATOM 170 O GLY A 15 18.574 -10.067 -12.431 1.00 0.00 O ATOM 0 H GLY A 15 20.594 -7.391 -12.991 1.00 0.00 H new ATOM 0 HA2 GLY A 15 21.340 -9.355 -10.964 1.00 0.00 H new ATOM 0 HA3 GLY A 15 19.895 -8.365 -11.030 1.00 0.00 H new ATOM 174 N VAL A 16 20.504 -11.245 -12.465 1.00 0.00 N ATOM 175 CA VAL A 16 19.895 -12.439 -13.024 1.00 0.00 C ATOM 176 C VAL A 16 18.881 -13.004 -12.027 1.00 0.00 C ATOM 177 O VAL A 16 19.105 -12.964 -10.818 1.00 0.00 O ATOM 178 CB VAL A 16 20.978 -13.448 -13.410 1.00 0.00 C ATOM 179 CG1 VAL A 16 20.360 -14.782 -13.833 1.00 0.00 C ATOM 180 CG2 VAL A 16 21.881 -12.888 -14.512 1.00 0.00 C ATOM 0 H VAL A 16 21.506 -11.320 -12.287 1.00 0.00 H new ATOM 0 HA VAL A 16 19.353 -12.198 -13.939 1.00 0.00 H new ATOM 0 HB VAL A 16 21.595 -13.629 -12.530 1.00 0.00 H new ATOM 0 HG11 VAL A 16 21.152 -15.481 -14.102 1.00 0.00 H new ATOM 0 HG12 VAL A 16 19.779 -15.192 -13.007 1.00 0.00 H new ATOM 0 HG13 VAL A 16 19.708 -14.625 -14.692 1.00 0.00 H new ATOM 0 HG21 VAL A 16 22.642 -13.625 -14.768 1.00 0.00 H new ATOM 0 HG22 VAL A 16 21.282 -12.664 -15.394 1.00 0.00 H new ATOM 0 HG23 VAL A 16 22.363 -11.976 -14.159 1.00 0.00 H new ATOM 190 N PRO A 17 17.758 -13.531 -12.585 1.00 0.00 N ATOM 191 CA PRO A 17 16.709 -14.103 -11.758 1.00 0.00 C ATOM 192 C PRO A 17 17.123 -15.472 -11.216 1.00 0.00 C ATOM 193 O PRO A 17 16.512 -16.486 -11.548 1.00 0.00 O ATOM 194 CB PRO A 17 15.487 -14.166 -12.660 1.00 0.00 C ATOM 195 CG PRO A 17 16.014 -14.063 -14.083 1.00 0.00 C ATOM 196 CD PRO A 17 17.458 -13.595 -14.012 1.00 0.00 C ATOM 0 HA PRO A 17 16.502 -13.506 -10.870 1.00 0.00 H new ATOM 0 HB2 PRO A 17 14.940 -15.097 -12.512 1.00 0.00 H new ATOM 0 HB3 PRO A 17 14.796 -13.352 -12.439 1.00 0.00 H new ATOM 0 HG2 PRO A 17 15.950 -15.029 -14.585 1.00 0.00 H new ATOM 0 HG3 PRO A 17 15.414 -13.362 -14.663 1.00 0.00 H new ATOM 0 HD2 PRO A 17 18.124 -14.288 -14.526 1.00 0.00 H new ATOM 0 HD3 PRO A 17 17.582 -12.622 -14.487 1.00 0.00 H new ATOM 204 N GLU A 18 18.159 -15.457 -10.391 1.00 0.00 N ATOM 205 CA GLU A 18 18.663 -16.685 -9.799 1.00 0.00 C ATOM 206 C GLU A 18 17.501 -17.593 -9.392 1.00 0.00 C ATOM 207 O GLU A 18 16.379 -17.125 -9.203 1.00 0.00 O ATOM 208 CB GLU A 18 19.570 -16.387 -8.604 1.00 0.00 C ATOM 209 CG GLU A 18 18.791 -15.695 -7.483 1.00 0.00 C ATOM 210 CD GLU A 18 19.666 -15.510 -6.242 1.00 0.00 C ATOM 211 OE1 GLU A 18 19.701 -16.456 -5.426 1.00 0.00 O ATOM 212 OE2 GLU A 18 20.279 -14.425 -6.136 1.00 0.00 O ATOM 0 H GLU A 18 18.664 -14.614 -10.118 1.00 0.00 H new ATOM 0 HA GLU A 18 19.262 -17.206 -10.546 1.00 0.00 H new ATOM 0 HB2 GLU A 18 20.003 -17.315 -8.231 1.00 0.00 H new ATOM 0 HB3 GLU A 18 20.398 -15.753 -8.921 1.00 0.00 H new ATOM 0 HG2 GLU A 18 18.434 -14.725 -7.829 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.912 -16.286 -7.228 1.00 0.00 H new ATOM 219 N GLU A 19 17.809 -18.876 -9.268 1.00 0.00 N ATOM 220 CA GLU A 19 16.805 -19.854 -8.886 1.00 0.00 C ATOM 221 C GLU A 19 17.137 -20.450 -7.517 1.00 0.00 C ATOM 222 O GLU A 19 17.717 -21.531 -7.431 1.00 0.00 O ATOM 223 CB GLU A 19 16.677 -20.951 -9.945 1.00 0.00 C ATOM 224 CG GLU A 19 15.469 -21.846 -9.665 1.00 0.00 C ATOM 225 CD GLU A 19 14.537 -21.905 -10.877 1.00 0.00 C ATOM 226 OE1 GLU A 19 14.346 -20.837 -11.498 1.00 0.00 O ATOM 227 OE2 GLU A 19 14.037 -23.016 -11.155 1.00 0.00 O ATOM 0 H GLU A 19 18.740 -19.261 -9.426 1.00 0.00 H new ATOM 0 HA GLU A 19 15.842 -19.348 -8.816 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.578 -20.499 -10.932 1.00 0.00 H new ATOM 0 HB3 GLU A 19 17.585 -21.554 -9.960 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.807 -22.851 -9.413 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.924 -21.467 -8.801 1.00 0.00 H new ATOM 234 N VAL A 20 16.755 -19.718 -6.480 1.00 0.00 N ATOM 235 CA VAL A 20 17.006 -20.160 -5.119 1.00 0.00 C ATOM 236 C VAL A 20 15.714 -20.051 -4.306 1.00 0.00 C ATOM 237 O VAL A 20 14.953 -19.099 -4.469 1.00 0.00 O ATOM 238 CB VAL A 20 18.163 -19.363 -4.514 1.00 0.00 C ATOM 239 CG1 VAL A 20 18.375 -19.734 -3.045 1.00 0.00 C ATOM 240 CG2 VAL A 20 19.447 -19.561 -5.321 1.00 0.00 C ATOM 0 H VAL A 20 16.274 -18.822 -6.555 1.00 0.00 H new ATOM 0 HA VAL A 20 17.310 -21.207 -5.107 1.00 0.00 H new ATOM 0 HB VAL A 20 17.901 -18.306 -4.558 1.00 0.00 H new ATOM 0 HG11 VAL A 20 19.203 -19.153 -2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 20 17.468 -19.517 -2.480 1.00 0.00 H new ATOM 0 HG13 VAL A 20 18.605 -20.797 -2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 20 20.253 -18.983 -4.869 1.00 0.00 H new ATOM 0 HG22 VAL A 20 19.715 -20.617 -5.325 1.00 0.00 H new ATOM 0 HG23 VAL A 20 19.289 -19.223 -6.345 1.00 0.00 H new ATOM 250 N MET A 21 15.507 -21.039 -3.448 1.00 0.00 N ATOM 251 CA MET A 21 14.321 -21.065 -2.610 1.00 0.00 C ATOM 252 C MET A 21 14.134 -19.732 -1.883 1.00 0.00 C ATOM 253 O MET A 21 15.070 -19.216 -1.274 1.00 0.00 O ATOM 254 CB MET A 21 14.446 -22.193 -1.583 1.00 0.00 C ATOM 255 CG MET A 21 15.647 -21.967 -0.663 1.00 0.00 C ATOM 256 SD MET A 21 15.802 -23.325 0.484 1.00 0.00 S ATOM 257 CE MET A 21 16.188 -22.427 1.977 1.00 0.00 C ATOM 0 H MET A 21 16.141 -21.827 -3.315 1.00 0.00 H new ATOM 0 HA MET A 21 13.453 -21.235 -3.247 1.00 0.00 H new ATOM 0 HB2 MET A 21 13.534 -22.251 -0.989 1.00 0.00 H new ATOM 0 HB3 MET A 21 14.552 -23.148 -2.098 1.00 0.00 H new ATOM 0 HG2 MET A 21 16.557 -21.875 -1.256 1.00 0.00 H new ATOM 0 HG3 MET A 21 15.526 -21.031 -0.117 1.00 0.00 H new ATOM 0 HE1 MET A 21 16.318 -23.129 2.801 1.00 0.00 H new ATOM 0 HE2 MET A 21 17.109 -21.861 1.834 1.00 0.00 H new ATOM 0 HE3 MET A 21 15.373 -21.741 2.210 1.00 0.00 H new ATOM 267 N GLU A 22 12.918 -19.212 -1.970 1.00 0.00 N ATOM 268 CA GLU A 22 12.596 -17.949 -1.328 1.00 0.00 C ATOM 269 C GLU A 22 11.743 -18.190 -0.081 1.00 0.00 C ATOM 270 O GLU A 22 10.995 -19.164 -0.015 1.00 0.00 O ATOM 271 CB GLU A 22 11.889 -17.004 -2.302 1.00 0.00 C ATOM 272 CG GLU A 22 12.882 -16.397 -3.295 1.00 0.00 C ATOM 273 CD GLU A 22 12.239 -15.257 -4.087 1.00 0.00 C ATOM 274 OE1 GLU A 22 11.837 -14.269 -3.434 1.00 0.00 O ATOM 275 OE2 GLU A 22 12.163 -15.398 -5.326 1.00 0.00 O ATOM 0 H GLU A 22 12.144 -19.643 -2.476 1.00 0.00 H new ATOM 0 HA GLU A 22 13.527 -17.472 -1.021 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.114 -17.547 -2.843 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.392 -16.208 -1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.755 -16.025 -2.760 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.233 -17.168 -3.981 1.00 0.00 H new ATOM 282 N SER A 23 11.884 -17.286 0.877 1.00 0.00 N ATOM 283 CA SER A 23 11.135 -17.387 2.118 1.00 0.00 C ATOM 284 C SER A 23 9.942 -16.430 2.090 1.00 0.00 C ATOM 285 O SER A 23 9.805 -15.631 1.165 1.00 0.00 O ATOM 286 CB SER A 23 12.027 -17.089 3.325 1.00 0.00 C ATOM 287 OG SER A 23 11.891 -18.073 4.346 1.00 0.00 O ATOM 0 H SER A 23 12.506 -16.480 0.819 1.00 0.00 H new ATOM 0 HA SER A 23 10.769 -18.409 2.214 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.067 -17.042 3.004 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.773 -16.109 3.730 1.00 0.00 H new ATOM 0 HG SER A 23 12.478 -17.848 5.098 1.00 0.00 H new ATOM 293 N ALA A 24 9.110 -16.543 3.114 1.00 0.00 N ATOM 294 CA ALA A 24 7.933 -15.697 3.218 1.00 0.00 C ATOM 295 C ALA A 24 8.363 -14.229 3.211 1.00 0.00 C ATOM 296 O ALA A 24 8.587 -13.638 4.266 1.00 0.00 O ATOM 297 CB ALA A 24 7.147 -16.068 4.477 1.00 0.00 C ATOM 0 H ALA A 24 9.227 -17.207 3.879 1.00 0.00 H new ATOM 0 HA ALA A 24 7.273 -15.851 2.364 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.264 -15.433 4.555 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.839 -17.112 4.419 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.777 -15.923 5.355 1.00 0.00 H new ATOM 303 N GLN A 25 8.465 -13.681 2.009 1.00 0.00 N ATOM 304 CA GLN A 25 8.864 -12.293 1.850 1.00 0.00 C ATOM 305 C GLN A 25 8.005 -11.612 0.783 1.00 0.00 C ATOM 306 O GLN A 25 7.490 -12.272 -0.119 1.00 0.00 O ATOM 307 CB GLN A 25 10.351 -12.186 1.506 1.00 0.00 C ATOM 308 CG GLN A 25 10.633 -12.747 0.111 1.00 0.00 C ATOM 309 CD GLN A 25 12.026 -12.339 -0.373 1.00 0.00 C ATOM 310 OE1 GLN A 25 13.041 -12.685 0.209 1.00 0.00 O ATOM 311 NE2 GLN A 25 12.018 -11.585 -1.469 1.00 0.00 N ATOM 0 H GLN A 25 8.278 -14.174 1.136 1.00 0.00 H new ATOM 0 HA GLN A 25 8.706 -11.779 2.798 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.665 -11.143 1.553 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.939 -12.729 2.246 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.555 -13.834 0.130 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.880 -12.385 -0.589 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.132 -11.331 -1.907 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.897 -11.261 -1.871 1.00 0.00 H new ATOM 320 N PRO A 26 7.872 -10.266 0.925 1.00 0.00 N ATOM 321 CA PRO A 26 7.083 -9.489 -0.016 1.00 0.00 C ATOM 322 C PRO A 26 7.829 -9.310 -1.340 1.00 0.00 C ATOM 323 O PRO A 26 8.962 -9.767 -1.485 1.00 0.00 O ATOM 324 CB PRO A 26 6.810 -8.172 0.694 1.00 0.00 C ATOM 325 CG PRO A 26 7.839 -8.078 1.809 1.00 0.00 C ATOM 326 CD PRO A 26 8.467 -9.452 1.981 1.00 0.00 C ATOM 0 HA PRO A 26 6.149 -9.981 -0.289 1.00 0.00 H new ATOM 0 HB2 PRO A 26 6.902 -7.331 0.006 1.00 0.00 H new ATOM 0 HB3 PRO A 26 5.797 -8.147 1.095 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.601 -7.338 1.564 1.00 0.00 H new ATOM 0 HG3 PRO A 26 7.368 -7.755 2.737 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.552 -9.407 1.883 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.253 -9.865 2.967 1.00 0.00 H new ATOM 334 N VAL A 27 7.162 -8.645 -2.272 1.00 0.00 N ATOM 335 CA VAL A 27 7.747 -8.401 -3.580 1.00 0.00 C ATOM 336 C VAL A 27 7.368 -6.995 -4.049 1.00 0.00 C ATOM 337 O VAL A 27 6.189 -6.648 -4.090 1.00 0.00 O ATOM 338 CB VAL A 27 7.316 -9.495 -4.559 1.00 0.00 C ATOM 339 CG1 VAL A 27 8.064 -10.802 -4.285 1.00 0.00 C ATOM 340 CG2 VAL A 27 5.802 -9.709 -4.509 1.00 0.00 C ATOM 0 H VAL A 27 6.223 -8.268 -2.148 1.00 0.00 H new ATOM 0 HA VAL A 27 8.835 -8.443 -3.526 1.00 0.00 H new ATOM 0 HB VAL A 27 7.575 -9.166 -5.565 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.739 -11.563 -4.995 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.136 -10.638 -4.395 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.850 -11.138 -3.270 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.522 -10.492 -5.214 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.510 -10.006 -3.502 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.294 -8.782 -4.775 1.00 0.00 H new ATOM 350 N ALA A 28 8.390 -6.224 -4.391 1.00 0.00 N ATOM 351 CA ALA A 28 8.178 -4.864 -4.856 1.00 0.00 C ATOM 352 C ALA A 28 7.163 -4.873 -6.001 1.00 0.00 C ATOM 353 O ALA A 28 7.536 -5.024 -7.164 1.00 0.00 O ATOM 354 CB ALA A 28 9.518 -4.251 -5.269 1.00 0.00 C ATOM 0 H ALA A 28 9.367 -6.515 -4.355 1.00 0.00 H new ATOM 0 HA ALA A 28 7.768 -4.245 -4.058 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.359 -3.231 -5.618 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.193 -4.241 -4.413 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.958 -4.844 -6.071 1.00 0.00 H new ATOM 360 N ASN A 29 5.901 -4.709 -5.633 1.00 0.00 N ATOM 361 CA ASN A 29 4.830 -4.696 -6.615 1.00 0.00 C ATOM 362 C ASN A 29 5.288 -3.922 -7.852 1.00 0.00 C ATOM 363 O ASN A 29 5.811 -2.814 -7.738 1.00 0.00 O ATOM 364 CB ASN A 29 3.583 -4.007 -6.060 1.00 0.00 C ATOM 365 CG ASN A 29 2.368 -4.269 -6.953 1.00 0.00 C ATOM 366 OD1 ASN A 29 2.179 -3.648 -7.986 1.00 0.00 O ATOM 367 ND2 ASN A 29 1.558 -5.221 -6.499 1.00 0.00 N ATOM 0 H ASN A 29 5.596 -4.584 -4.668 1.00 0.00 H new ATOM 0 HA ASN A 29 4.589 -5.729 -6.866 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.382 -4.368 -5.051 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.759 -2.934 -5.985 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.720 -5.470 -7.024 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.775 -5.702 -5.626 1.00 0.00 H new ATOM 374 N GLU A 30 5.075 -4.535 -9.007 1.00 0.00 N ATOM 375 CA GLU A 30 5.459 -3.917 -10.265 1.00 0.00 C ATOM 376 C GLU A 30 4.558 -2.717 -10.564 1.00 0.00 C ATOM 377 O GLU A 30 4.965 -1.790 -11.262 1.00 0.00 O ATOM 378 CB GLU A 30 5.419 -4.932 -11.409 1.00 0.00 C ATOM 379 CG GLU A 30 6.801 -5.541 -11.651 1.00 0.00 C ATOM 380 CD GLU A 30 7.106 -5.634 -13.147 1.00 0.00 C ATOM 381 OE1 GLU A 30 6.674 -6.639 -13.753 1.00 0.00 O ATOM 382 OE2 GLU A 30 7.763 -4.699 -13.652 1.00 0.00 O ATOM 0 H GLU A 30 4.641 -5.454 -9.098 1.00 0.00 H new ATOM 0 HA GLU A 30 6.485 -3.562 -10.174 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.706 -5.722 -11.174 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.068 -4.446 -12.319 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.561 -4.934 -11.159 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.848 -6.534 -11.204 1.00 0.00 H new ATOM 389 N GLU A 31 3.351 -2.774 -10.020 1.00 0.00 N ATOM 390 CA GLU A 31 2.389 -1.704 -10.220 1.00 0.00 C ATOM 391 C GLU A 31 2.736 -0.506 -9.333 1.00 0.00 C ATOM 392 O GLU A 31 2.736 0.634 -9.796 1.00 0.00 O ATOM 393 CB GLU A 31 0.964 -2.190 -9.952 1.00 0.00 C ATOM 394 CG GLU A 31 0.044 -1.871 -11.132 1.00 0.00 C ATOM 395 CD GLU A 31 -1.165 -1.051 -10.678 1.00 0.00 C ATOM 396 OE1 GLU A 31 -1.750 -1.428 -9.639 1.00 0.00 O ATOM 397 OE2 GLU A 31 -1.478 -0.065 -11.379 1.00 0.00 O ATOM 0 H GLU A 31 3.018 -3.545 -9.441 1.00 0.00 H new ATOM 0 HA GLU A 31 2.439 -1.387 -11.262 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.971 -3.265 -9.772 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.579 -1.718 -9.048 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.598 -1.319 -11.891 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.294 -2.798 -11.595 1.00 0.00 H new ATOM 404 N ILE A 32 3.024 -0.806 -8.075 1.00 0.00 N ATOM 405 CA ILE A 32 3.372 0.232 -7.120 1.00 0.00 C ATOM 406 C ILE A 32 4.735 0.822 -7.488 1.00 0.00 C ATOM 407 O ILE A 32 4.956 2.023 -7.340 1.00 0.00 O ATOM 408 CB ILE A 32 3.302 -0.310 -5.691 1.00 0.00 C ATOM 409 CG1 ILE A 32 1.992 -1.065 -5.454 1.00 0.00 C ATOM 410 CG2 ILE A 32 3.512 0.809 -4.669 1.00 0.00 C ATOM 411 CD1 ILE A 32 1.804 -1.385 -3.970 1.00 0.00 C ATOM 0 H ILE A 32 3.023 -1.753 -7.695 1.00 0.00 H new ATOM 0 HA ILE A 32 2.650 1.047 -7.163 1.00 0.00 H new ATOM 0 HB ILE A 32 4.114 -1.025 -5.557 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.154 -0.466 -5.809 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.991 -1.989 -6.032 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.457 0.397 -3.662 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.491 1.263 -4.823 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.737 1.566 -4.794 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.866 -1.922 -3.830 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.631 -2.004 -3.624 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.781 -0.458 -3.398 1.00 0.00 H new ATOM 423 N VAL A 33 5.614 -0.051 -7.960 1.00 0.00 N ATOM 424 CA VAL A 33 6.949 0.369 -8.350 1.00 0.00 C ATOM 425 C VAL A 33 6.871 1.146 -9.666 1.00 0.00 C ATOM 426 O VAL A 33 7.453 2.222 -9.791 1.00 0.00 O ATOM 427 CB VAL A 33 7.877 -0.845 -8.426 1.00 0.00 C ATOM 428 CG1 VAL A 33 9.174 -0.498 -9.160 1.00 0.00 C ATOM 429 CG2 VAL A 33 8.168 -1.401 -7.031 1.00 0.00 C ATOM 0 H VAL A 33 5.427 -1.046 -8.081 1.00 0.00 H new ATOM 0 HA VAL A 33 7.373 1.039 -7.602 1.00 0.00 H new ATOM 0 HB VAL A 33 7.367 -1.622 -8.996 1.00 0.00 H new ATOM 0 HG11 VAL A 33 9.816 -1.378 -9.200 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.942 -0.171 -10.174 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.689 0.303 -8.630 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.830 -2.263 -7.114 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.648 -0.632 -6.426 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.234 -1.705 -6.558 1.00 0.00 H new ATOM 439 N ALA A 34 6.147 0.569 -10.614 1.00 0.00 N ATOM 440 CA ALA A 34 5.985 1.194 -11.916 1.00 0.00 C ATOM 441 C ALA A 34 5.436 2.610 -11.732 1.00 0.00 C ATOM 442 O ALA A 34 5.799 3.521 -12.475 1.00 0.00 O ATOM 443 CB ALA A 34 5.077 0.326 -12.790 1.00 0.00 C ATOM 0 H ALA A 34 5.666 -0.324 -10.507 1.00 0.00 H new ATOM 0 HA ALA A 34 6.946 1.276 -12.424 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.956 0.795 -13.766 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.525 -0.660 -12.914 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.102 0.224 -12.313 1.00 0.00 H new ATOM 449 N GLN A 35 4.571 2.751 -10.739 1.00 0.00 N ATOM 450 CA GLN A 35 3.968 4.041 -10.448 1.00 0.00 C ATOM 451 C GLN A 35 5.010 4.992 -9.854 1.00 0.00 C ATOM 452 O GLN A 35 5.154 6.125 -10.311 1.00 0.00 O ATOM 453 CB GLN A 35 2.769 3.888 -9.511 1.00 0.00 C ATOM 454 CG GLN A 35 1.529 3.423 -10.279 1.00 0.00 C ATOM 455 CD GLN A 35 0.426 2.974 -9.319 1.00 0.00 C ATOM 456 OE1 GLN A 35 -0.198 3.769 -8.635 1.00 0.00 O ATOM 457 NE2 GLN A 35 0.221 1.660 -9.307 1.00 0.00 N ATOM 0 H GLN A 35 4.273 1.993 -10.125 1.00 0.00 H new ATOM 0 HA GLN A 35 3.604 4.469 -11.382 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.006 3.170 -8.726 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.562 4.839 -9.021 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.161 4.234 -10.908 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.795 2.601 -10.943 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.779 1.051 -9.905 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.495 1.261 -8.700 1.00 0.00 H new ATOM 466 N LEU A 36 5.709 4.495 -8.845 1.00 0.00 N ATOM 467 CA LEU A 36 6.733 5.286 -8.183 1.00 0.00 C ATOM 468 C LEU A 36 7.822 5.651 -9.195 1.00 0.00 C ATOM 469 O LEU A 36 8.169 6.822 -9.343 1.00 0.00 O ATOM 470 CB LEU A 36 7.262 4.554 -6.948 1.00 0.00 C ATOM 471 CG LEU A 36 6.257 4.341 -5.814 1.00 0.00 C ATOM 472 CD1 LEU A 36 6.670 3.163 -4.930 1.00 0.00 C ATOM 473 CD2 LEU A 36 6.065 5.626 -5.004 1.00 0.00 C ATOM 0 H LEU A 36 5.587 3.555 -8.469 1.00 0.00 H new ATOM 0 HA LEU A 36 6.312 6.221 -7.814 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.639 3.580 -7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.111 5.113 -6.554 1.00 0.00 H new ATOM 0 HG LEU A 36 5.292 4.090 -6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.939 3.033 -4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.716 2.255 -5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.650 3.360 -4.496 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.346 5.448 -4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.019 5.931 -4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.693 6.416 -5.657 1.00 0.00 H new ATOM 485 N VAL A 37 8.331 4.627 -9.863 1.00 0.00 N ATOM 486 CA VAL A 37 9.373 4.825 -10.856 1.00 0.00 C ATOM 487 C VAL A 37 8.912 5.873 -11.872 1.00 0.00 C ATOM 488 O VAL A 37 9.732 6.478 -12.561 1.00 0.00 O ATOM 489 CB VAL A 37 9.742 3.488 -11.502 1.00 0.00 C ATOM 490 CG1 VAL A 37 10.744 3.687 -12.641 1.00 0.00 C ATOM 491 CG2 VAL A 37 10.285 2.508 -10.460 1.00 0.00 C ATOM 0 H VAL A 37 8.041 3.657 -9.736 1.00 0.00 H new ATOM 0 HA VAL A 37 10.280 5.205 -10.386 1.00 0.00 H new ATOM 0 HB VAL A 37 8.834 3.059 -11.926 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.989 2.721 -13.083 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.306 4.333 -13.402 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.651 4.148 -12.251 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.540 1.566 -10.945 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.176 2.929 -9.994 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.527 2.330 -9.698 1.00 0.00 H new ATOM 501 N SER A 38 7.601 6.055 -11.932 1.00 0.00 N ATOM 502 CA SER A 38 7.021 7.018 -12.852 1.00 0.00 C ATOM 503 C SER A 38 6.934 8.392 -12.184 1.00 0.00 C ATOM 504 O SER A 38 7.207 9.411 -12.817 1.00 0.00 O ATOM 505 CB SER A 38 5.635 6.568 -13.320 1.00 0.00 C ATOM 506 OG SER A 38 5.612 6.276 -14.714 1.00 0.00 O ATOM 0 H SER A 38 6.924 5.552 -11.358 1.00 0.00 H new ATOM 0 HA SER A 38 7.666 7.086 -13.728 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.332 5.684 -12.759 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.907 7.349 -13.101 1.00 0.00 H new ATOM 0 HG SER A 38 4.711 5.991 -14.974 1.00 0.00 H new ATOM 512 N MET A 39 6.554 8.376 -10.915 1.00 0.00 N ATOM 513 CA MET A 39 6.429 9.608 -10.155 1.00 0.00 C ATOM 514 C MET A 39 7.743 10.391 -10.160 1.00 0.00 C ATOM 515 O MET A 39 7.742 11.614 -10.033 1.00 0.00 O ATOM 516 CB MET A 39 6.034 9.281 -8.714 1.00 0.00 C ATOM 517 CG MET A 39 4.541 8.962 -8.614 1.00 0.00 C ATOM 518 SD MET A 39 4.013 9.042 -6.910 1.00 0.00 S ATOM 519 CE MET A 39 3.568 7.334 -6.643 1.00 0.00 C ATOM 0 H MET A 39 6.328 7.529 -10.394 1.00 0.00 H new ATOM 0 HA MET A 39 5.660 10.224 -10.621 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.616 8.431 -8.358 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.273 10.125 -8.067 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.969 9.669 -9.214 1.00 0.00 H new ATOM 0 HG3 MET A 39 4.345 7.969 -9.018 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.695 7.085 -5.589 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.528 7.180 -6.929 1.00 0.00 H new ATOM 0 HE3 MET A 39 4.209 6.692 -7.247 1.00 0.00 H new ATOM 529 N GLY A 40 8.834 9.653 -10.306 1.00 0.00 N ATOM 530 CA GLY A 40 10.153 10.263 -10.329 1.00 0.00 C ATOM 531 C GLY A 40 11.017 9.742 -9.179 1.00 0.00 C ATOM 532 O GLY A 40 11.732 10.511 -8.537 1.00 0.00 O ATOM 0 H GLY A 40 8.832 8.638 -10.410 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.640 10.049 -11.280 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.058 11.346 -10.256 1.00 0.00 H new ATOM 536 N PHE A 41 10.923 8.440 -8.953 1.00 0.00 N ATOM 537 CA PHE A 41 11.688 7.808 -7.891 1.00 0.00 C ATOM 538 C PHE A 41 12.635 6.746 -8.455 1.00 0.00 C ATOM 539 O PHE A 41 12.583 6.431 -9.643 1.00 0.00 O ATOM 540 CB PHE A 41 10.682 7.132 -6.957 1.00 0.00 C ATOM 541 CG PHE A 41 9.969 8.097 -6.007 1.00 0.00 C ATOM 542 CD1 PHE A 41 10.506 8.373 -4.788 1.00 0.00 C ATOM 543 CD2 PHE A 41 8.799 8.680 -6.382 1.00 0.00 C ATOM 544 CE1 PHE A 41 9.845 9.269 -3.907 1.00 0.00 C ATOM 545 CE2 PHE A 41 8.138 9.576 -5.501 1.00 0.00 C ATOM 546 CZ PHE A 41 8.674 9.851 -4.282 1.00 0.00 C ATOM 0 H PHE A 41 10.329 7.805 -9.487 1.00 0.00 H new ATOM 0 HA PHE A 41 12.289 8.554 -7.371 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.936 6.613 -7.558 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.200 6.375 -6.368 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.435 7.910 -4.490 1.00 0.00 H new ATOM 0 HD2 PHE A 41 8.373 8.461 -7.350 1.00 0.00 H new ATOM 0 HE1 PHE A 41 10.272 9.488 -2.939 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.209 10.039 -5.799 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.170 10.531 -3.612 1.00 0.00 H new ATOM 556 N SER A 42 13.478 6.224 -7.576 1.00 0.00 N ATOM 557 CA SER A 42 14.435 5.205 -7.971 1.00 0.00 C ATOM 558 C SER A 42 13.810 3.816 -7.824 1.00 0.00 C ATOM 559 O SER A 42 13.456 3.404 -6.720 1.00 0.00 O ATOM 560 CB SER A 42 15.716 5.301 -7.141 1.00 0.00 C ATOM 561 OG SER A 42 15.863 6.581 -6.533 1.00 0.00 O ATOM 0 H SER A 42 13.518 6.488 -6.592 1.00 0.00 H new ATOM 0 HA SER A 42 14.698 5.370 -9.016 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.706 4.532 -6.369 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.577 5.101 -7.779 1.00 0.00 H new ATOM 0 HG SER A 42 15.554 6.539 -5.604 1.00 0.00 H new ATOM 567 N GLN A 43 13.695 3.131 -8.952 1.00 0.00 N ATOM 568 CA GLN A 43 13.120 1.797 -8.963 1.00 0.00 C ATOM 569 C GLN A 43 13.563 1.018 -7.723 1.00 0.00 C ATOM 570 O GLN A 43 12.733 0.605 -6.915 1.00 0.00 O ATOM 571 CB GLN A 43 13.493 1.049 -10.244 1.00 0.00 C ATOM 572 CG GLN A 43 12.848 -0.338 -10.277 1.00 0.00 C ATOM 573 CD GLN A 43 13.400 -1.172 -11.435 1.00 0.00 C ATOM 574 OE1 GLN A 43 14.558 -1.077 -11.806 1.00 0.00 O ATOM 575 NE2 GLN A 43 12.508 -1.993 -11.984 1.00 0.00 N ATOM 0 H GLN A 43 13.991 3.475 -9.866 1.00 0.00 H new ATOM 0 HA GLN A 43 12.034 1.890 -8.940 1.00 0.00 H new ATOM 0 HB2 GLN A 43 13.171 1.624 -11.112 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.577 0.952 -10.310 1.00 0.00 H new ATOM 0 HG2 GLN A 43 13.033 -0.852 -9.334 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.767 -0.238 -10.379 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.554 -2.023 -11.625 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.779 -2.592 -12.764 1.00 0.00 H new ATOM 584 N LEU A 44 14.872 0.839 -7.613 1.00 0.00 N ATOM 585 CA LEU A 44 15.436 0.117 -6.486 1.00 0.00 C ATOM 586 C LEU A 44 14.684 0.503 -5.210 1.00 0.00 C ATOM 587 O LEU A 44 14.172 -0.362 -4.502 1.00 0.00 O ATOM 588 CB LEU A 44 16.946 0.348 -6.403 1.00 0.00 C ATOM 589 CG LEU A 44 17.581 0.145 -5.026 1.00 0.00 C ATOM 590 CD1 LEU A 44 17.796 -1.341 -4.734 1.00 0.00 C ATOM 591 CD2 LEU A 44 18.878 0.948 -4.897 1.00 0.00 C ATOM 0 H LEU A 44 15.557 1.182 -8.286 1.00 0.00 H new ATOM 0 HA LEU A 44 15.308 -0.957 -6.620 1.00 0.00 H new ATOM 0 HB2 LEU A 44 17.435 -0.323 -7.109 1.00 0.00 H new ATOM 0 HB3 LEU A 44 17.156 1.366 -6.732 1.00 0.00 H new ATOM 0 HG LEU A 44 16.890 0.524 -4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 44 18.249 -1.457 -3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 44 16.837 -1.859 -4.756 1.00 0.00 H new ATOM 0 HD13 LEU A 44 18.456 -1.768 -5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 44 19.309 0.786 -3.909 1.00 0.00 H new ATOM 0 HD22 LEU A 44 19.585 0.622 -5.660 1.00 0.00 H new ATOM 0 HD23 LEU A 44 18.664 2.008 -5.030 1.00 0.00 H new ATOM 603 N HIS A 45 14.642 1.803 -4.956 1.00 0.00 N ATOM 604 CA HIS A 45 13.962 2.314 -3.779 1.00 0.00 C ATOM 605 C HIS A 45 12.468 1.995 -3.870 1.00 0.00 C ATOM 606 O HIS A 45 11.890 1.441 -2.937 1.00 0.00 O ATOM 607 CB HIS A 45 14.240 3.807 -3.596 1.00 0.00 C ATOM 608 CG HIS A 45 15.676 4.199 -3.846 1.00 0.00 C ATOM 609 ND1 HIS A 45 16.044 5.458 -4.289 1.00 0.00 N ATOM 610 CD2 HIS A 45 16.832 3.487 -3.709 1.00 0.00 C ATOM 611 CE1 HIS A 45 17.362 5.490 -4.411 1.00 0.00 C ATOM 612 NE2 HIS A 45 17.849 4.268 -4.051 1.00 0.00 N ATOM 0 H HIS A 45 15.068 2.518 -5.546 1.00 0.00 H new ATOM 0 HA HIS A 45 14.349 1.820 -2.888 1.00 0.00 H new ATOM 0 HB2 HIS A 45 13.597 4.371 -4.272 1.00 0.00 H new ATOM 0 HB3 HIS A 45 13.967 4.095 -2.581 1.00 0.00 H new ATOM 0 HD2 HIS A 45 16.907 2.462 -3.378 1.00 0.00 H new ATOM 0 HE1 HIS A 45 17.949 6.336 -4.738 1.00 0.00 H new ATOM 0 HE2 HIS A 45 18.833 3.999 -4.046 1.00 0.00 H new ATOM 620 N CYS A 46 11.887 2.359 -5.004 1.00 0.00 N ATOM 621 CA CYS A 46 10.472 2.120 -5.230 1.00 0.00 C ATOM 622 C CYS A 46 10.147 0.696 -4.774 1.00 0.00 C ATOM 623 O CYS A 46 9.082 0.448 -4.211 1.00 0.00 O ATOM 624 CB CYS A 46 10.085 2.353 -6.691 1.00 0.00 C ATOM 625 SG CYS A 46 10.405 4.094 -7.154 1.00 0.00 S ATOM 0 H CYS A 46 12.371 2.818 -5.776 1.00 0.00 H new ATOM 0 HA CYS A 46 9.883 2.830 -4.649 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.655 1.686 -7.337 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.031 2.117 -6.839 1.00 0.00 H new ATOM 0 HG CYS A 46 11.179 4.130 -8.198 1.00 0.00 H new ATOM 631 N GLN A 47 11.085 -0.203 -5.033 1.00 0.00 N ATOM 632 CA GLN A 47 10.912 -1.596 -4.656 1.00 0.00 C ATOM 633 C GLN A 47 10.937 -1.740 -3.133 1.00 0.00 C ATOM 634 O GLN A 47 9.967 -2.201 -2.534 1.00 0.00 O ATOM 635 CB GLN A 47 11.979 -2.477 -5.308 1.00 0.00 C ATOM 636 CG GLN A 47 11.857 -2.448 -6.833 1.00 0.00 C ATOM 637 CD GLN A 47 12.963 -3.280 -7.488 1.00 0.00 C ATOM 638 OE1 GLN A 47 14.129 -3.190 -7.143 1.00 0.00 O ATOM 639 NE2 GLN A 47 12.532 -4.092 -8.449 1.00 0.00 N ATOM 0 H GLN A 47 11.968 0.006 -5.500 1.00 0.00 H new ATOM 0 HA GLN A 47 9.940 -1.932 -5.017 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.970 -2.133 -5.012 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.878 -3.502 -4.951 1.00 0.00 H new ATOM 0 HG2 GLN A 47 10.882 -2.834 -7.131 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.914 -1.418 -7.186 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.541 -4.118 -8.688 1.00 0.00 H new ATOM 0 HE22 GLN A 47 13.193 -4.689 -8.947 1.00 0.00 H new ATOM 648 N LYS A 48 12.058 -1.339 -2.551 1.00 0.00 N ATOM 649 CA LYS A 48 12.222 -1.418 -1.109 1.00 0.00 C ATOM 650 C LYS A 48 11.005 -0.790 -0.427 1.00 0.00 C ATOM 651 O LYS A 48 10.359 -1.425 0.406 1.00 0.00 O ATOM 652 CB LYS A 48 13.554 -0.795 -0.687 1.00 0.00 C ATOM 653 CG LYS A 48 14.730 -1.683 -1.099 1.00 0.00 C ATOM 654 CD LYS A 48 16.065 -1.006 -0.784 1.00 0.00 C ATOM 655 CE LYS A 48 17.195 -2.033 -0.703 1.00 0.00 C ATOM 656 NZ LYS A 48 17.908 -1.919 0.589 1.00 0.00 N ATOM 0 H LYS A 48 12.861 -0.959 -3.052 1.00 0.00 H new ATOM 0 HA LYS A 48 12.267 -2.458 -0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 48 13.660 0.189 -1.143 1.00 0.00 H new ATOM 0 HB3 LYS A 48 13.565 -0.649 0.393 1.00 0.00 H new ATOM 0 HG2 LYS A 48 14.670 -2.638 -0.576 1.00 0.00 H new ATOM 0 HG3 LYS A 48 14.671 -1.899 -2.166 1.00 0.00 H new ATOM 0 HD2 LYS A 48 16.293 -0.269 -1.554 1.00 0.00 H new ATOM 0 HD3 LYS A 48 15.990 -0.468 0.161 1.00 0.00 H new ATOM 0 HE2 LYS A 48 16.789 -3.039 -0.813 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.894 -1.879 -1.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.592 -2.697 0.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.411 -1.010 0.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.223 -1.970 1.369 1.00 0.00 H new ATOM 670 N ALA A 49 10.728 0.449 -0.804 1.00 0.00 N ATOM 671 CA ALA A 49 9.600 1.170 -0.239 1.00 0.00 C ATOM 672 C ALA A 49 8.381 0.247 -0.197 1.00 0.00 C ATOM 673 O ALA A 49 7.944 -0.162 0.878 1.00 0.00 O ATOM 674 CB ALA A 49 9.344 2.438 -1.055 1.00 0.00 C ATOM 0 H ALA A 49 11.266 0.973 -1.495 1.00 0.00 H new ATOM 0 HA ALA A 49 9.815 1.479 0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.498 2.979 -0.631 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.230 3.072 -1.029 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.122 2.168 -2.087 1.00 0.00 H new ATOM 680 N ALA A 50 7.864 -0.053 -1.380 1.00 0.00 N ATOM 681 CA ALA A 50 6.704 -0.919 -1.492 1.00 0.00 C ATOM 682 C ALA A 50 6.890 -2.135 -0.581 1.00 0.00 C ATOM 683 O ALA A 50 6.103 -2.352 0.339 1.00 0.00 O ATOM 684 CB ALA A 50 6.500 -1.314 -2.956 1.00 0.00 C ATOM 0 H ALA A 50 8.228 0.289 -2.269 1.00 0.00 H new ATOM 0 HA ALA A 50 5.804 -0.397 -1.167 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.629 -1.964 -3.039 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.343 -0.418 -3.556 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.383 -1.842 -3.317 1.00 0.00 H new ATOM 690 N ILE A 51 7.936 -2.895 -0.870 1.00 0.00 N ATOM 691 CA ILE A 51 8.236 -4.083 -0.088 1.00 0.00 C ATOM 692 C ILE A 51 8.124 -3.750 1.401 1.00 0.00 C ATOM 693 O ILE A 51 7.353 -4.379 2.125 1.00 0.00 O ATOM 694 CB ILE A 51 9.595 -4.659 -0.490 1.00 0.00 C ATOM 695 CG1 ILE A 51 9.579 -5.144 -1.941 1.00 0.00 C ATOM 696 CG2 ILE A 51 10.031 -5.762 0.478 1.00 0.00 C ATOM 697 CD1 ILE A 51 10.929 -5.747 -2.333 1.00 0.00 C ATOM 0 H ILE A 51 8.586 -2.712 -1.634 1.00 0.00 H new ATOM 0 HA ILE A 51 7.509 -4.869 -0.294 1.00 0.00 H new ATOM 0 HB ILE A 51 10.336 -3.862 -0.426 1.00 0.00 H new ATOM 0 HG12 ILE A 51 8.793 -5.888 -2.071 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.342 -4.312 -2.604 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.000 -6.155 0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 51 10.109 -5.352 1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.295 -6.566 0.469 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.890 -6.084 -3.369 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.709 -4.993 -2.225 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.151 -6.594 -1.684 1.00 0.00 H new ATOM 709 N ASN A 52 8.905 -2.763 1.814 1.00 0.00 N ATOM 710 CA ASN A 52 8.904 -2.339 3.204 1.00 0.00 C ATOM 711 C ASN A 52 7.459 -2.184 3.684 1.00 0.00 C ATOM 712 O ASN A 52 7.157 -2.440 4.848 1.00 0.00 O ATOM 713 CB ASN A 52 9.605 -0.989 3.369 1.00 0.00 C ATOM 714 CG ASN A 52 11.055 -1.176 3.818 1.00 0.00 C ATOM 715 OD1 ASN A 52 11.362 -1.257 4.996 1.00 0.00 O ATOM 716 ND2 ASN A 52 11.928 -1.239 2.816 1.00 0.00 N ATOM 0 H ASN A 52 9.543 -2.244 1.210 1.00 0.00 H new ATOM 0 HA ASN A 52 9.433 -3.093 3.787 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.580 -0.444 2.425 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.069 -0.384 4.100 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.921 -1.362 3.012 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.604 -1.164 1.852 1.00 0.00 H new ATOM 723 N THR A 53 6.605 -1.765 2.762 1.00 0.00 N ATOM 724 CA THR A 53 5.199 -1.573 3.076 1.00 0.00 C ATOM 725 C THR A 53 4.349 -2.646 2.394 1.00 0.00 C ATOM 726 O THR A 53 3.211 -2.388 2.006 1.00 0.00 O ATOM 727 CB THR A 53 4.816 -0.148 2.673 1.00 0.00 C ATOM 728 OG1 THR A 53 4.818 -0.177 1.249 1.00 0.00 O ATOM 729 CG2 THR A 53 5.900 0.872 3.027 1.00 0.00 C ATOM 0 H THR A 53 6.859 -1.553 1.797 1.00 0.00 H new ATOM 0 HA THR A 53 5.013 -1.686 4.144 1.00 0.00 H new ATOM 0 HB THR A 53 3.883 0.129 3.164 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.385 -0.913 0.938 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.578 1.867 2.720 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.071 0.862 4.103 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.825 0.614 2.510 1.00 0.00 H new ATOM 737 N SER A 54 4.933 -3.829 2.270 1.00 0.00 N ATOM 738 CA SER A 54 4.243 -4.943 1.642 1.00 0.00 C ATOM 739 C SER A 54 3.400 -4.441 0.469 1.00 0.00 C ATOM 740 O SER A 54 2.313 -4.959 0.214 1.00 0.00 O ATOM 741 CB SER A 54 3.363 -5.684 2.650 1.00 0.00 C ATOM 742 OG SER A 54 3.759 -7.043 2.808 1.00 0.00 O ATOM 0 H SER A 54 5.877 -4.040 2.594 1.00 0.00 H new ATOM 0 HA SER A 54 4.991 -5.643 1.270 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.412 -5.178 3.614 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.324 -5.645 2.322 1.00 0.00 H new ATOM 0 HG SER A 54 3.174 -7.481 3.461 1.00 0.00 H new ATOM 748 N ASN A 55 3.932 -3.439 -0.216 1.00 0.00 N ATOM 749 CA ASN A 55 3.242 -2.862 -1.357 1.00 0.00 C ATOM 750 C ASN A 55 1.753 -2.727 -1.032 1.00 0.00 C ATOM 751 O ASN A 55 0.902 -3.057 -1.856 1.00 0.00 O ATOM 752 CB ASN A 55 3.377 -3.755 -2.592 1.00 0.00 C ATOM 753 CG ASN A 55 3.729 -5.190 -2.195 1.00 0.00 C ATOM 754 OD1 ASN A 55 2.874 -6.001 -1.876 1.00 0.00 O ATOM 755 ND2 ASN A 55 5.031 -5.458 -2.232 1.00 0.00 N ATOM 0 H ASN A 55 4.833 -3.012 -0.002 1.00 0.00 H new ATOM 0 HA ASN A 55 3.689 -1.890 -1.565 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.443 -3.748 -3.154 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.149 -3.356 -3.251 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.367 -6.389 -1.984 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.693 -4.733 -2.508 1.00 0.00 H new ATOM 762 N ALA A 56 1.484 -2.242 0.172 1.00 0.00 N ATOM 763 CA ALA A 56 0.113 -2.059 0.616 1.00 0.00 C ATOM 764 C ALA A 56 -0.558 -0.985 -0.242 1.00 0.00 C ATOM 765 O ALA A 56 -1.783 -0.875 -0.261 1.00 0.00 O ATOM 766 CB ALA A 56 0.101 -1.708 2.105 1.00 0.00 C ATOM 0 H ALA A 56 2.193 -1.970 0.853 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.456 -2.981 0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.928 -1.571 2.438 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.562 -2.516 2.673 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.661 -0.787 2.266 1.00 0.00 H new ATOM 772 N GLY A 57 0.275 -0.219 -0.932 1.00 0.00 N ATOM 773 CA GLY A 57 -0.223 0.843 -1.790 1.00 0.00 C ATOM 774 C GLY A 57 0.909 1.783 -2.211 1.00 0.00 C ATOM 775 O GLY A 57 1.964 1.812 -1.580 1.00 0.00 O ATOM 0 H GLY A 57 1.291 -0.313 -0.914 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.690 0.411 -2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.994 1.408 -1.266 1.00 0.00 H new ATOM 779 N VAL A 58 0.650 2.529 -3.275 1.00 0.00 N ATOM 780 CA VAL A 58 1.634 3.468 -3.787 1.00 0.00 C ATOM 781 C VAL A 58 1.959 4.500 -2.706 1.00 0.00 C ATOM 782 O VAL A 58 3.122 4.850 -2.505 1.00 0.00 O ATOM 783 CB VAL A 58 1.127 4.101 -5.085 1.00 0.00 C ATOM 784 CG1 VAL A 58 2.126 5.129 -5.620 1.00 0.00 C ATOM 785 CG2 VAL A 58 0.825 3.031 -6.135 1.00 0.00 C ATOM 0 H VAL A 58 -0.226 2.502 -3.796 1.00 0.00 H new ATOM 0 HA VAL A 58 2.562 2.952 -4.033 1.00 0.00 H new ATOM 0 HB VAL A 58 0.196 4.623 -4.862 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.742 5.564 -6.543 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.269 5.916 -4.880 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.080 4.640 -5.819 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.466 3.508 -7.047 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.733 2.468 -6.352 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.060 2.354 -5.755 1.00 0.00 H new ATOM 795 N GLU A 59 0.912 4.960 -2.037 1.00 0.00 N ATOM 796 CA GLU A 59 1.072 5.945 -0.981 1.00 0.00 C ATOM 797 C GLU A 59 1.979 5.398 0.123 1.00 0.00 C ATOM 798 O GLU A 59 2.849 6.108 0.625 1.00 0.00 O ATOM 799 CB GLU A 59 -0.286 6.367 -0.415 1.00 0.00 C ATOM 800 CG GLU A 59 -0.669 5.506 0.790 1.00 0.00 C ATOM 801 CD GLU A 59 -2.073 5.856 1.289 1.00 0.00 C ATOM 802 OE1 GLU A 59 -2.202 6.935 1.908 1.00 0.00 O ATOM 803 OE2 GLU A 59 -2.984 5.038 1.041 1.00 0.00 O ATOM 0 H GLU A 59 -0.051 4.669 -2.206 1.00 0.00 H new ATOM 0 HA GLU A 59 1.544 6.831 -1.406 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.251 7.416 -0.121 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.050 6.278 -1.188 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.629 4.452 0.516 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.054 5.655 1.592 1.00 0.00 H new ATOM 810 N GLU A 60 1.746 4.140 0.468 1.00 0.00 N ATOM 811 CA GLU A 60 2.531 3.489 1.502 1.00 0.00 C ATOM 812 C GLU A 60 3.997 3.392 1.074 1.00 0.00 C ATOM 813 O GLU A 60 4.892 3.803 1.811 1.00 0.00 O ATOM 814 CB GLU A 60 1.964 2.108 1.834 1.00 0.00 C ATOM 815 CG GLU A 60 1.058 2.169 3.065 1.00 0.00 C ATOM 816 CD GLU A 60 1.527 1.188 4.141 1.00 0.00 C ATOM 817 OE1 GLU A 60 1.760 0.015 3.777 1.00 0.00 O ATOM 818 OE2 GLU A 60 1.643 1.633 5.304 1.00 0.00 O ATOM 0 H GLU A 60 1.024 3.554 0.049 1.00 0.00 H new ATOM 0 HA GLU A 60 2.476 4.094 2.407 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.401 1.728 0.982 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.781 1.409 2.014 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.054 3.182 3.468 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.033 1.936 2.778 1.00 0.00 H new ATOM 825 N ALA A 61 4.197 2.846 -0.117 1.00 0.00 N ATOM 826 CA ALA A 61 5.539 2.689 -0.652 1.00 0.00 C ATOM 827 C ALA A 61 6.266 4.034 -0.596 1.00 0.00 C ATOM 828 O ALA A 61 7.329 4.144 0.013 1.00 0.00 O ATOM 829 CB ALA A 61 5.459 2.128 -2.074 1.00 0.00 C ATOM 0 H ALA A 61 3.452 2.507 -0.726 1.00 0.00 H new ATOM 0 HA ALA A 61 6.111 1.980 -0.053 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.465 2.010 -2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.960 1.159 -2.055 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.895 2.815 -2.705 1.00 0.00 H new ATOM 835 N MET A 62 5.663 5.024 -1.239 1.00 0.00 N ATOM 836 CA MET A 62 6.240 6.357 -1.270 1.00 0.00 C ATOM 837 C MET A 62 6.513 6.869 0.146 1.00 0.00 C ATOM 838 O MET A 62 7.629 7.283 0.456 1.00 0.00 O ATOM 839 CB MET A 62 5.281 7.312 -1.982 1.00 0.00 C ATOM 840 CG MET A 62 6.047 8.315 -2.847 1.00 0.00 C ATOM 841 SD MET A 62 4.979 9.669 -3.304 1.00 0.00 S ATOM 842 CE MET A 62 5.402 10.842 -2.027 1.00 0.00 C ATOM 0 H MET A 62 4.781 4.929 -1.742 1.00 0.00 H new ATOM 0 HA MET A 62 7.187 6.310 -1.808 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.591 6.743 -2.604 1.00 0.00 H new ATOM 0 HB3 MET A 62 4.680 7.846 -1.246 1.00 0.00 H new ATOM 0 HG2 MET A 62 6.912 8.692 -2.301 1.00 0.00 H new ATOM 0 HG3 MET A 62 6.425 7.821 -3.742 1.00 0.00 H new ATOM 0 HE1 MET A 62 4.505 11.375 -1.711 1.00 0.00 H new ATOM 0 HE2 MET A 62 5.829 10.314 -1.175 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.130 11.555 -2.414 1.00 0.00 H new ATOM 852 N ASN A 63 5.475 6.824 0.968 1.00 0.00 N ATOM 853 CA ASN A 63 5.589 7.278 2.343 1.00 0.00 C ATOM 854 C ASN A 63 6.906 6.773 2.935 1.00 0.00 C ATOM 855 O ASN A 63 7.639 7.534 3.566 1.00 0.00 O ATOM 856 CB ASN A 63 4.445 6.731 3.200 1.00 0.00 C ATOM 857 CG ASN A 63 3.613 7.869 3.795 1.00 0.00 C ATOM 858 OD1 ASN A 63 4.039 9.010 3.871 1.00 0.00 O ATOM 859 ND2 ASN A 63 2.407 7.496 4.212 1.00 0.00 N ATOM 0 H ASN A 63 4.551 6.480 0.708 1.00 0.00 H new ATOM 0 HA ASN A 63 5.551 8.367 2.343 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.807 6.088 2.594 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.850 6.114 4.002 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.776 8.182 4.625 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.113 6.524 4.119 1.00 0.00 H new ATOM 866 N TRP A 64 7.167 5.494 2.711 1.00 0.00 N ATOM 867 CA TRP A 64 8.383 4.879 3.214 1.00 0.00 C ATOM 868 C TRP A 64 9.575 5.613 2.597 1.00 0.00 C ATOM 869 O TRP A 64 10.529 5.952 3.295 1.00 0.00 O ATOM 870 CB TRP A 64 8.395 3.375 2.931 1.00 0.00 C ATOM 871 CG TRP A 64 9.624 2.648 3.481 1.00 0.00 C ATOM 872 CD1 TRP A 64 9.740 1.986 4.640 1.00 0.00 C ATOM 873 CD2 TRP A 64 10.914 2.535 2.844 1.00 0.00 C ATOM 874 NE1 TRP A 64 11.005 1.457 4.796 1.00 0.00 N ATOM 875 CE2 TRP A 64 11.741 1.802 3.669 1.00 0.00 C ATOM 876 CE3 TRP A 64 11.366 3.037 1.611 1.00 0.00 C ATOM 877 CZ2 TRP A 64 13.072 1.504 3.352 1.00 0.00 C ATOM 878 CZ3 TRP A 64 12.698 2.730 1.308 1.00 0.00 C ATOM 879 CH2 TRP A 64 13.544 1.993 2.128 1.00 0.00 C ATOM 0 H TRP A 64 6.557 4.866 2.188 1.00 0.00 H new ATOM 0 HA TRP A 64 8.441 4.971 4.299 1.00 0.00 H new ATOM 0 HB2 TRP A 64 7.499 2.928 3.361 1.00 0.00 H new ATOM 0 HB3 TRP A 64 8.345 3.218 1.854 1.00 0.00 H new ATOM 0 HD1 TRP A 64 8.944 1.880 5.362 1.00 0.00 H new ATOM 0 HE1 TRP A 64 11.338 0.913 5.592 1.00 0.00 H new ATOM 0 HE3 TRP A 64 10.736 3.614 0.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 13.700 0.928 4.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 13.096 3.091 0.371 1.00 0.00 H new ATOM 0 HH2 TRP A 64 14.561 1.798 1.822 1.00 0.00 H new ATOM 890 N LEU A 65 9.481 5.837 1.294 1.00 0.00 N ATOM 891 CA LEU A 65 10.539 6.525 0.575 1.00 0.00 C ATOM 892 C LEU A 65 10.771 7.898 1.208 1.00 0.00 C ATOM 893 O LEU A 65 11.913 8.310 1.406 1.00 0.00 O ATOM 894 CB LEU A 65 10.221 6.583 -0.920 1.00 0.00 C ATOM 895 CG LEU A 65 10.501 5.306 -1.716 1.00 0.00 C ATOM 896 CD1 LEU A 65 9.261 4.862 -2.494 1.00 0.00 C ATOM 897 CD2 LEU A 65 11.716 5.484 -2.628 1.00 0.00 C ATOM 0 H LEU A 65 8.688 5.554 0.718 1.00 0.00 H new ATOM 0 HA LEU A 65 11.476 5.974 0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.168 6.837 -1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.796 7.396 -1.362 1.00 0.00 H new ATOM 0 HG LEU A 65 10.741 4.510 -1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.487 3.953 -3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.445 4.668 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.966 5.649 -3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.893 4.562 -3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.529 6.298 -3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.593 5.719 -2.024 1.00 0.00 H new ATOM 909 N LEU A 66 9.669 8.570 1.508 1.00 0.00 N ATOM 910 CA LEU A 66 9.738 9.888 2.115 1.00 0.00 C ATOM 911 C LEU A 66 10.388 9.776 3.496 1.00 0.00 C ATOM 912 O LEU A 66 10.758 10.785 4.095 1.00 0.00 O ATOM 913 CB LEU A 66 8.354 10.540 2.138 1.00 0.00 C ATOM 914 CG LEU A 66 7.571 10.497 0.824 1.00 0.00 C ATOM 915 CD1 LEU A 66 6.201 11.161 0.981 1.00 0.00 C ATOM 916 CD2 LEU A 66 8.380 11.116 -0.317 1.00 0.00 C ATOM 0 H LEU A 66 8.723 8.226 1.342 1.00 0.00 H new ATOM 0 HA LEU A 66 10.367 10.549 1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.758 10.053 2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.470 11.582 2.435 1.00 0.00 H new ATOM 0 HG LEU A 66 7.396 9.453 0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.665 11.117 0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.628 10.637 1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.333 12.202 1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.801 11.073 -1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.607 12.155 -0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.310 10.562 -0.446 1.00 0.00 H new ATOM 928 N SER A 67 10.507 8.541 3.960 1.00 0.00 N ATOM 929 CA SER A 67 11.106 8.284 5.259 1.00 0.00 C ATOM 930 C SER A 67 12.406 7.495 5.089 1.00 0.00 C ATOM 931 O SER A 67 13.137 7.281 6.055 1.00 0.00 O ATOM 932 CB SER A 67 10.140 7.526 6.171 1.00 0.00 C ATOM 933 OG SER A 67 9.897 8.223 7.389 1.00 0.00 O ATOM 0 H SER A 67 10.199 7.707 3.460 1.00 0.00 H new ATOM 0 HA SER A 67 11.329 9.242 5.728 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.196 7.369 5.649 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.549 6.540 6.393 1.00 0.00 H new ATOM 0 HG SER A 67 9.274 7.707 7.942 1.00 0.00 H new ATOM 939 N HIS A 68 12.654 7.085 3.854 1.00 0.00 N ATOM 940 CA HIS A 68 13.853 6.324 3.545 1.00 0.00 C ATOM 941 C HIS A 68 14.532 6.915 2.308 1.00 0.00 C ATOM 942 O HIS A 68 15.229 6.209 1.581 1.00 0.00 O ATOM 943 CB HIS A 68 13.528 4.837 3.390 1.00 0.00 C ATOM 944 CG HIS A 68 13.313 4.115 4.699 1.00 0.00 C ATOM 945 ND1 HIS A 68 14.153 3.111 5.148 1.00 0.00 N ATOM 946 CD2 HIS A 68 12.347 4.263 5.650 1.00 0.00 C ATOM 947 CE1 HIS A 68 13.702 2.681 6.317 1.00 0.00 C ATOM 948 NE2 HIS A 68 12.582 3.396 6.626 1.00 0.00 N ATOM 0 H HIS A 68 12.045 7.265 3.056 1.00 0.00 H new ATOM 0 HA HIS A 68 14.558 6.398 4.373 1.00 0.00 H new ATOM 0 HB2 HIS A 68 12.632 4.733 2.778 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.341 4.353 2.849 1.00 0.00 H new ATOM 0 HD1 HIS A 68 14.979 2.762 4.662 1.00 0.00 H new ATOM 0 HD2 HIS A 68 11.529 4.967 5.615 1.00 0.00 H new ATOM 0 HE1 HIS A 68 14.144 1.901 6.920 1.00 0.00 H new ATOM 956 N MET A 69 14.304 8.204 2.107 1.00 0.00 N ATOM 957 CA MET A 69 14.884 8.899 0.970 1.00 0.00 C ATOM 958 C MET A 69 16.342 9.274 1.242 1.00 0.00 C ATOM 959 O MET A 69 17.208 9.073 0.392 1.00 0.00 O ATOM 960 CB MET A 69 14.077 10.165 0.678 1.00 0.00 C ATOM 961 CG MET A 69 13.234 9.999 -0.588 1.00 0.00 C ATOM 962 SD MET A 69 14.176 10.501 -2.019 1.00 0.00 S ATOM 963 CE MET A 69 13.345 9.555 -3.284 1.00 0.00 C ATOM 0 H MET A 69 13.725 8.786 2.712 1.00 0.00 H new ATOM 0 HA MET A 69 14.854 8.233 0.108 1.00 0.00 H new ATOM 0 HB2 MET A 69 13.428 10.390 1.524 1.00 0.00 H new ATOM 0 HB3 MET A 69 14.753 11.012 0.561 1.00 0.00 H new ATOM 0 HG2 MET A 69 12.922 8.960 -0.694 1.00 0.00 H new ATOM 0 HG3 MET A 69 12.326 10.598 -0.512 1.00 0.00 H new ATOM 0 HE1 MET A 69 14.067 8.920 -3.797 1.00 0.00 H new ATOM 0 HE2 MET A 69 12.576 8.933 -2.827 1.00 0.00 H new ATOM 0 HE3 MET A 69 12.884 10.233 -4.002 1.00 0.00 H new ATOM 973 N ASP A 70 16.569 9.812 2.432 1.00 0.00 N ATOM 974 CA ASP A 70 17.907 10.217 2.827 1.00 0.00 C ATOM 975 C ASP A 70 18.490 9.173 3.781 1.00 0.00 C ATOM 976 O ASP A 70 18.874 9.498 4.904 1.00 0.00 O ATOM 977 CB ASP A 70 17.883 11.562 3.556 1.00 0.00 C ATOM 978 CG ASP A 70 19.122 12.434 3.346 1.00 0.00 C ATOM 979 OD1 ASP A 70 20.234 11.873 3.448 1.00 0.00 O ATOM 980 OD2 ASP A 70 18.929 13.642 3.088 1.00 0.00 O ATOM 0 H ASP A 70 15.849 9.977 3.135 1.00 0.00 H new ATOM 0 HA ASP A 70 18.512 10.307 1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 70 17.005 12.120 3.229 1.00 0.00 H new ATOM 0 HB3 ASP A 70 17.764 11.377 4.624 1.00 0.00 H new ATOM 985 N ASP A 71 18.538 7.939 3.300 1.00 0.00 N ATOM 986 CA ASP A 71 19.068 6.845 4.096 1.00 0.00 C ATOM 987 C ASP A 71 20.146 6.113 3.295 1.00 0.00 C ATOM 988 O ASP A 71 20.146 6.153 2.066 1.00 0.00 O ATOM 989 CB ASP A 71 17.972 5.837 4.446 1.00 0.00 C ATOM 990 CG ASP A 71 17.429 5.941 5.872 1.00 0.00 C ATOM 991 OD1 ASP A 71 18.107 5.411 6.778 1.00 0.00 O ATOM 992 OD2 ASP A 71 16.347 6.548 6.025 1.00 0.00 O ATOM 0 H ASP A 71 18.218 7.673 2.369 1.00 0.00 H new ATOM 0 HA ASP A 71 19.478 7.264 5.015 1.00 0.00 H new ATOM 0 HB2 ASP A 71 17.145 5.966 3.748 1.00 0.00 H new ATOM 0 HB3 ASP A 71 18.363 4.831 4.295 1.00 0.00 H new ATOM 997 N PRO A 72 21.063 5.443 4.043 1.00 0.00 N ATOM 998 CA PRO A 72 22.145 4.703 3.416 1.00 0.00 C ATOM 999 C PRO A 72 21.634 3.394 2.810 1.00 0.00 C ATOM 1000 O PRO A 72 22.160 2.926 1.802 1.00 0.00 O ATOM 1001 CB PRO A 72 23.166 4.487 4.521 1.00 0.00 C ATOM 1002 CG PRO A 72 22.419 4.703 5.827 1.00 0.00 C ATOM 1003 CD PRO A 72 21.095 5.374 5.501 1.00 0.00 C ATOM 0 HA PRO A 72 22.592 5.239 2.579 1.00 0.00 H new ATOM 0 HB2 PRO A 72 23.587 3.483 4.473 1.00 0.00 H new ATOM 0 HB3 PRO A 72 23.997 5.186 4.427 1.00 0.00 H new ATOM 0 HG2 PRO A 72 22.251 3.752 6.332 1.00 0.00 H new ATOM 0 HG3 PRO A 72 23.005 5.324 6.504 1.00 0.00 H new ATOM 0 HD2 PRO A 72 20.254 4.799 5.889 1.00 0.00 H new ATOM 0 HD3 PRO A 72 21.034 6.367 5.946 1.00 0.00 H new ATOM 1011 N ASP A 73 20.613 2.842 3.450 1.00 0.00 N ATOM 1012 CA ASP A 73 20.025 1.597 2.986 1.00 0.00 C ATOM 1013 C ASP A 73 19.413 1.811 1.601 1.00 0.00 C ATOM 1014 O ASP A 73 19.511 0.944 0.734 1.00 0.00 O ATOM 1015 CB ASP A 73 18.913 1.129 3.927 1.00 0.00 C ATOM 1016 CG ASP A 73 19.216 1.292 5.418 1.00 0.00 C ATOM 1017 OD1 ASP A 73 19.122 2.445 5.893 1.00 0.00 O ATOM 1018 OD2 ASP A 73 19.535 0.262 6.049 1.00 0.00 O ATOM 0 H ASP A 73 20.178 3.234 4.285 1.00 0.00 H new ATOM 0 HA ASP A 73 20.812 0.844 2.955 1.00 0.00 H new ATOM 0 HB2 ASP A 73 18.003 1.683 3.694 1.00 0.00 H new ATOM 0 HB3 ASP A 73 18.706 0.078 3.726 1.00 0.00 H new ATOM 1023 N ILE A 74 18.795 2.972 1.435 1.00 0.00 N ATOM 1024 CA ILE A 74 18.167 3.311 0.170 1.00 0.00 C ATOM 1025 C ILE A 74 19.115 2.955 -0.977 1.00 0.00 C ATOM 1026 O ILE A 74 18.670 2.641 -2.080 1.00 0.00 O ATOM 1027 CB ILE A 74 17.723 4.776 0.168 1.00 0.00 C ATOM 1028 CG1 ILE A 74 16.435 4.957 -0.638 1.00 0.00 C ATOM 1029 CG2 ILE A 74 18.845 5.689 -0.330 1.00 0.00 C ATOM 1030 CD1 ILE A 74 15.283 4.164 -0.017 1.00 0.00 C ATOM 0 H ILE A 74 18.716 3.689 2.156 1.00 0.00 H new ATOM 0 HA ILE A 74 17.259 2.726 0.027 1.00 0.00 H new ATOM 0 HB ILE A 74 17.504 5.068 1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 74 16.173 6.014 -0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 74 16.595 4.629 -1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 74 18.503 6.724 -0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 74 19.713 5.588 0.322 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.120 5.406 -1.346 1.00 0.00 H new ATOM 0 HD11 ILE A 74 14.380 4.310 -0.609 1.00 0.00 H new ATOM 0 HD12 ILE A 74 15.538 3.104 -0.000 1.00 0.00 H new ATOM 0 HD13 ILE A 74 15.109 4.512 1.001 1.00 0.00 H new ATOM 1042 N ASP A 75 20.404 3.017 -0.677 1.00 0.00 N ATOM 1043 CA ASP A 75 21.419 2.705 -1.670 1.00 0.00 C ATOM 1044 C ASP A 75 21.723 1.206 -1.628 1.00 0.00 C ATOM 1045 O ASP A 75 21.961 0.588 -2.664 1.00 0.00 O ATOM 1046 CB ASP A 75 22.719 3.459 -1.384 1.00 0.00 C ATOM 1047 CG ASP A 75 22.584 4.982 -1.333 1.00 0.00 C ATOM 1048 OD1 ASP A 75 22.097 5.474 -0.292 1.00 0.00 O ATOM 1049 OD2 ASP A 75 22.972 5.620 -2.336 1.00 0.00 O ATOM 0 H ASP A 75 20.769 3.278 0.239 1.00 0.00 H new ATOM 0 HA ASP A 75 21.038 3.001 -2.647 1.00 0.00 H new ATOM 0 HB2 ASP A 75 23.121 3.113 -0.432 1.00 0.00 H new ATOM 0 HB3 ASP A 75 23.449 3.199 -2.151 1.00 0.00 H new ATOM 1054 N ALA A 76 21.706 0.665 -0.418 1.00 0.00 N ATOM 1055 CA ALA A 76 21.977 -0.750 -0.228 1.00 0.00 C ATOM 1056 C ALA A 76 21.107 -1.565 -1.186 1.00 0.00 C ATOM 1057 O ALA A 76 19.989 -1.166 -1.507 1.00 0.00 O ATOM 1058 CB ALA A 76 21.738 -1.123 1.237 1.00 0.00 C ATOM 0 H ALA A 76 21.509 1.181 0.440 1.00 0.00 H new ATOM 0 HA ALA A 76 23.019 -0.975 -0.457 1.00 0.00 H new ATOM 0 HB1 ALA A 76 21.941 -2.184 1.380 1.00 0.00 H new ATOM 0 HB2 ALA A 76 22.401 -0.538 1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 76 20.702 -0.913 1.501 1.00 0.00 H new ATOM 1064 N PRO A 77 21.668 -2.723 -1.628 1.00 0.00 N ATOM 1065 CA PRO A 77 20.956 -3.598 -2.544 1.00 0.00 C ATOM 1066 C PRO A 77 19.852 -4.370 -1.818 1.00 0.00 C ATOM 1067 O PRO A 77 19.929 -4.580 -0.608 1.00 0.00 O ATOM 1068 CB PRO A 77 22.024 -4.504 -3.134 1.00 0.00 C ATOM 1069 CG PRO A 77 23.212 -4.416 -2.190 1.00 0.00 C ATOM 1070 CD PRO A 77 22.990 -3.227 -1.269 1.00 0.00 C ATOM 0 HA PRO A 77 20.438 -3.050 -3.331 1.00 0.00 H new ATOM 0 HB2 PRO A 77 21.665 -5.530 -3.215 1.00 0.00 H new ATOM 0 HB3 PRO A 77 22.298 -4.182 -4.138 1.00 0.00 H new ATOM 0 HG2 PRO A 77 23.308 -5.334 -1.611 1.00 0.00 H new ATOM 0 HG3 PRO A 77 24.138 -4.295 -2.752 1.00 0.00 H new ATOM 0 HD2 PRO A 77 23.029 -3.525 -0.221 1.00 0.00 H new ATOM 0 HD3 PRO A 77 23.757 -2.466 -1.413 1.00 0.00 H new ATOM 1078 N ILE A 78 18.851 -4.771 -2.587 1.00 0.00 N ATOM 1079 CA ILE A 78 17.733 -5.515 -2.032 1.00 0.00 C ATOM 1080 C ILE A 78 18.180 -6.945 -1.724 1.00 0.00 C ATOM 1081 O ILE A 78 18.046 -7.412 -0.594 1.00 0.00 O ATOM 1082 CB ILE A 78 16.521 -5.436 -2.963 1.00 0.00 C ATOM 1083 CG1 ILE A 78 15.820 -4.082 -2.837 1.00 0.00 C ATOM 1084 CG2 ILE A 78 15.564 -6.603 -2.717 1.00 0.00 C ATOM 1085 CD1 ILE A 78 14.804 -3.884 -3.964 1.00 0.00 C ATOM 0 H ILE A 78 18.791 -4.595 -3.590 1.00 0.00 H new ATOM 0 HA ILE A 78 17.411 -5.072 -1.090 1.00 0.00 H new ATOM 0 HB ILE A 78 16.874 -5.521 -3.991 1.00 0.00 H new ATOM 0 HG12 ILE A 78 15.316 -4.018 -1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 78 16.559 -3.282 -2.864 1.00 0.00 H new ATOM 0 HG21 ILE A 78 14.711 -6.523 -3.391 1.00 0.00 H new ATOM 0 HG22 ILE A 78 16.083 -7.544 -2.899 1.00 0.00 H new ATOM 0 HG23 ILE A 78 15.214 -6.575 -1.685 1.00 0.00 H new ATOM 0 HD11 ILE A 78 14.320 -2.914 -3.851 1.00 0.00 H new ATOM 0 HD12 ILE A 78 15.315 -3.925 -4.926 1.00 0.00 H new ATOM 0 HD13 ILE A 78 14.052 -4.672 -3.919 1.00 0.00 H new ATOM 1097 N SER A 79 18.702 -7.601 -2.750 1.00 0.00 N ATOM 1098 CA SER A 79 19.169 -8.969 -2.604 1.00 0.00 C ATOM 1099 C SER A 79 20.666 -8.979 -2.286 1.00 0.00 C ATOM 1100 O SER A 79 21.485 -9.293 -3.148 1.00 0.00 O ATOM 1101 CB SER A 79 18.890 -9.785 -3.867 1.00 0.00 C ATOM 1102 OG SER A 79 17.609 -10.410 -3.827 1.00 0.00 O ATOM 0 H SER A 79 18.812 -7.210 -3.686 1.00 0.00 H new ATOM 0 HA SER A 79 18.625 -9.430 -1.780 1.00 0.00 H new ATOM 0 HB2 SER A 79 18.949 -9.134 -4.739 1.00 0.00 H new ATOM 0 HB3 SER A 79 19.661 -10.546 -3.985 1.00 0.00 H new ATOM 0 HG SER A 79 17.468 -10.920 -4.652 1.00 0.00 H new ATOM 1108 N GLY A 80 20.977 -8.633 -1.045 1.00 0.00 N ATOM 1109 CA GLY A 80 22.361 -8.598 -0.603 1.00 0.00 C ATOM 1110 C GLY A 80 23.267 -8.007 -1.684 1.00 0.00 C ATOM 1111 O GLY A 80 22.792 -7.337 -2.600 1.00 0.00 O ATOM 0 H GLY A 80 20.295 -8.375 -0.332 1.00 0.00 H new ATOM 0 HA2 GLY A 80 22.441 -8.004 0.308 1.00 0.00 H new ATOM 0 HA3 GLY A 80 22.693 -9.606 -0.356 1.00 0.00 H new ATOM 1115 N PRO A 81 24.591 -8.282 -1.538 1.00 0.00 N ATOM 1116 CA PRO A 81 25.569 -7.785 -2.491 1.00 0.00 C ATOM 1117 C PRO A 81 25.513 -8.577 -3.798 1.00 0.00 C ATOM 1118 O PRO A 81 26.240 -9.555 -3.967 1.00 0.00 O ATOM 1119 CB PRO A 81 26.907 -7.905 -1.780 1.00 0.00 C ATOM 1120 CG PRO A 81 26.689 -8.890 -0.644 1.00 0.00 C ATOM 1121 CD PRO A 81 25.190 -9.072 -0.466 1.00 0.00 C ATOM 0 HA PRO A 81 25.381 -6.753 -2.787 1.00 0.00 H new ATOM 0 HB2 PRO A 81 27.681 -8.260 -2.461 1.00 0.00 H new ATOM 0 HB3 PRO A 81 27.236 -6.938 -1.400 1.00 0.00 H new ATOM 0 HG2 PRO A 81 27.165 -9.844 -0.869 1.00 0.00 H new ATOM 0 HG3 PRO A 81 27.140 -8.518 0.276 1.00 0.00 H new ATOM 0 HD2 PRO A 81 24.907 -10.122 -0.542 1.00 0.00 H new ATOM 0 HD3 PRO A 81 24.862 -8.723 0.513 1.00 0.00 H new ATOM 1129 N SER A 82 24.642 -8.127 -4.689 1.00 0.00 N ATOM 1130 CA SER A 82 24.481 -8.782 -5.976 1.00 0.00 C ATOM 1131 C SER A 82 25.851 -9.138 -6.557 1.00 0.00 C ATOM 1132 O SER A 82 26.571 -8.265 -7.039 1.00 0.00 O ATOM 1133 CB SER A 82 23.705 -7.895 -6.952 1.00 0.00 C ATOM 1134 OG SER A 82 22.422 -8.434 -7.259 1.00 0.00 O ATOM 0 H SER A 82 24.040 -7.316 -4.545 1.00 0.00 H new ATOM 0 HA SER A 82 23.909 -9.697 -5.825 1.00 0.00 H new ATOM 0 HB2 SER A 82 23.587 -6.900 -6.522 1.00 0.00 H new ATOM 0 HB3 SER A 82 24.279 -7.779 -7.871 1.00 0.00 H new ATOM 0 HG SER A 82 21.958 -7.838 -7.883 1.00 0.00 H new ATOM 1140 N SER A 83 26.170 -10.422 -6.492 1.00 0.00 N ATOM 1141 CA SER A 83 27.441 -10.905 -7.005 1.00 0.00 C ATOM 1142 C SER A 83 27.503 -10.706 -8.521 1.00 0.00 C ATOM 1143 O SER A 83 26.563 -11.053 -9.235 1.00 0.00 O ATOM 1144 CB SER A 83 27.653 -12.379 -6.654 1.00 0.00 C ATOM 1145 OG SER A 83 26.851 -13.240 -7.458 1.00 0.00 O ATOM 0 H SER A 83 25.570 -11.143 -6.092 1.00 0.00 H new ATOM 0 HA SER A 83 28.239 -10.330 -6.536 1.00 0.00 H new ATOM 0 HB2 SER A 83 28.704 -12.635 -6.785 1.00 0.00 H new ATOM 0 HB3 SER A 83 27.415 -12.539 -5.602 1.00 0.00 H new ATOM 0 HG SER A 83 27.016 -14.172 -7.205 1.00 0.00 H new ATOM 1151 N GLY A 84 28.618 -10.148 -8.967 1.00 0.00 N ATOM 1152 CA GLY A 84 28.815 -9.898 -10.385 1.00 0.00 C ATOM 1153 C GLY A 84 30.277 -10.114 -10.782 1.00 0.00 C ATOM 1154 O GLY A 84 30.842 -9.323 -11.536 1.00 0.00 O ATOM 0 H GLY A 84 29.395 -9.862 -8.372 1.00 0.00 H new ATOM 0 HA2 GLY A 84 28.175 -10.561 -10.967 1.00 0.00 H new ATOM 0 HA3 GLY A 84 28.517 -8.877 -10.623 1.00 0.00 H new TER 1158 GLY A 84