USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 519 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 16 ASN : amide:sc= 0.926 K(o=2.1,f=-10!) USER MOD Set 1.2: A 63 LYS NZ :NH3+ -169:sc= 1.22 (180deg=-0.143) USER MOD Set 2.1: A 34 CYS SG : rot -125:sc= -0.546 USER MOD Set 2.2: A 37 CYS SG : rot -74:sc= 0.613 USER MOD Set 2.3: A 54 CYS SG : rot -159:sc= -0.0788 USER MOD Set 2.4: A 58 HIS : no HD1:sc= 0.0822 K(o=0.07,f=-8!) USER MOD Set 3.1: A 39 GLN : amide:sc= 0.902 K(o=1,f=-4.6!) USER MOD Set 3.2: A 56 HIS : no HD1:sc= 0.144 K(o=1,f=-8.6!) USER MOD Set 4.1: A 5 CYS SG : rot -138:sc= -3.34! USER MOD Set 4.2: A 8 CYS SG : rot -88:sc= 2.43 USER MOD Set 4.3: A 21 CYS SG : rot -166:sc= 0.131 USER MOD Set 4.4: A 24 CYS SG : rot 179:sc= -6.51! USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= -0.49 X(o=-0.49,f=0) USER MOD Single : A 9 GLN : amide:sc= -1.66! C(o=-1.7!,f=-7.2!) USER MOD Single : A 10 HIS : no HD1:sc= -0.46 K(o=-0.46,f=-1.1) USER MOD Single : A 14 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.085) USER MOD Single : A 18 HIS : no HE2:sc= -0.367 X(o=-0.37,f=-0.39) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -155:sc= -1.79 (180deg=-2.68!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0948 X(o=-0.095,f=0.0054) USER MOD Single : A 42 GLN : amide:sc= -0.0325 K(o=-0.033,f=-3.1!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.769 K(o=-0.77,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 169:sc= -0.0176 (180deg=-0.141) USER MOD ----------------------------------------------------------------- ATOM 33 N LEU A 3 63.242 -2.856 8.545 1.00 0.00 N ATOM 34 CA LEU A 3 63.947 -1.763 7.895 1.00 0.00 C ATOM 35 C LEU A 3 64.412 -0.744 8.927 1.00 0.00 C ATOM 36 O LEU A 3 63.956 -0.751 10.070 1.00 0.00 O ATOM 37 CB LEU A 3 63.065 -1.081 6.840 1.00 0.00 C ATOM 38 CG LEU A 3 62.816 -1.884 5.554 1.00 0.00 C ATOM 39 CD1 LEU A 3 61.868 -3.050 5.797 1.00 0.00 C ATOM 40 CD2 LEU A 3 62.274 -0.977 4.458 1.00 0.00 C ATOM 0 HA LEU A 3 64.818 -2.181 7.390 1.00 0.00 H new ATOM 0 HB2 LEU A 3 62.101 -0.851 7.294 1.00 0.00 H new ATOM 0 HB3 LEU A 3 63.525 -0.131 6.569 1.00 0.00 H new ATOM 0 HG LEU A 3 63.772 -2.296 5.230 1.00 0.00 H new ATOM 0 HD11 LEU A 3 61.715 -3.595 4.865 1.00 0.00 H new ATOM 0 HD12 LEU A 3 62.298 -3.719 6.543 1.00 0.00 H new ATOM 0 HD13 LEU A 3 60.911 -2.672 6.157 1.00 0.00 H new ATOM 0 HD21 LEU A 3 62.103 -1.561 3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 3 61.334 -0.532 4.786 1.00 0.00 H new ATOM 0 HD23 LEU A 3 62.996 -0.188 4.249 1.00 0.00 H new ATOM 52 N HIS A 4 65.336 0.113 8.528 1.00 0.00 N ATOM 53 CA HIS A 4 65.834 1.163 9.405 1.00 0.00 C ATOM 54 C HIS A 4 65.414 2.528 8.880 1.00 0.00 C ATOM 55 O HIS A 4 65.201 2.700 7.682 1.00 0.00 O ATOM 56 CB HIS A 4 67.361 1.103 9.517 1.00 0.00 C ATOM 57 CG HIS A 4 67.889 -0.195 10.045 1.00 0.00 C ATOM 58 ND1 HIS A 4 68.813 -0.958 9.368 1.00 0.00 N ATOM 59 CD2 HIS A 4 67.625 -0.860 11.193 1.00 0.00 C ATOM 60 CE1 HIS A 4 69.095 -2.035 10.073 1.00 0.00 C ATOM 61 NE2 HIS A 4 68.386 -2.002 11.188 1.00 0.00 N ATOM 0 H HIS A 4 65.759 0.103 7.600 1.00 0.00 H new ATOM 0 HA HIS A 4 65.405 1.008 10.395 1.00 0.00 H new ATOM 0 HB2 HIS A 4 67.793 1.284 8.533 1.00 0.00 H new ATOM 0 HB3 HIS A 4 67.698 1.910 10.167 1.00 0.00 H new ATOM 0 HD2 HIS A 4 66.942 -0.550 11.970 1.00 0.00 H new ATOM 0 HE1 HIS A 4 69.788 -2.813 9.788 1.00 0.00 H new ATOM 0 HE2 HIS A 4 68.402 -2.709 11.923 1.00 0.00 H new ATOM 70 N CYS A 5 65.296 3.490 9.784 1.00 0.00 N ATOM 71 CA CYS A 5 64.928 4.850 9.416 1.00 0.00 C ATOM 72 C CYS A 5 66.136 5.522 8.764 1.00 0.00 C ATOM 73 O CYS A 5 67.170 5.676 9.401 1.00 0.00 O ATOM 74 CB CYS A 5 64.486 5.615 10.671 1.00 0.00 C ATOM 75 SG CYS A 5 63.648 7.198 10.376 1.00 0.00 S ATOM 0 H CYS A 5 65.451 3.353 10.783 1.00 0.00 H new ATOM 0 HA CYS A 5 64.099 4.845 8.709 1.00 0.00 H new ATOM 0 HB2 CYS A 5 63.819 4.974 11.248 1.00 0.00 H new ATOM 0 HB3 CYS A 5 65.364 5.800 11.289 1.00 0.00 H new ATOM 0 HG CYS A 5 64.076 8.081 11.229 1.00 0.00 H new ATOM 80 N PRO A 6 66.012 5.917 7.488 1.00 0.00 N ATOM 81 CA PRO A 6 67.139 6.401 6.669 1.00 0.00 C ATOM 82 C PRO A 6 68.048 7.408 7.375 1.00 0.00 C ATOM 83 O PRO A 6 69.253 7.434 7.132 1.00 0.00 O ATOM 84 CB PRO A 6 66.441 7.060 5.481 1.00 0.00 C ATOM 85 CG PRO A 6 65.169 6.304 5.333 1.00 0.00 C ATOM 86 CD PRO A 6 64.748 5.920 6.726 1.00 0.00 C ATOM 0 HA PRO A 6 67.812 5.583 6.412 1.00 0.00 H new ATOM 0 HB2 PRO A 6 66.255 8.118 5.666 1.00 0.00 H new ATOM 0 HB3 PRO A 6 67.048 6.996 4.578 1.00 0.00 H new ATOM 0 HG2 PRO A 6 64.406 6.915 4.850 1.00 0.00 H new ATOM 0 HG3 PRO A 6 65.311 5.420 4.711 1.00 0.00 H new ATOM 0 HD2 PRO A 6 64.034 6.633 7.139 1.00 0.00 H new ATOM 0 HD3 PRO A 6 64.268 4.941 6.743 1.00 0.00 H new ATOM 94 N GLN A 7 67.481 8.230 8.247 1.00 0.00 N ATOM 95 CA GLN A 7 68.257 9.255 8.925 1.00 0.00 C ATOM 96 C GLN A 7 68.828 8.739 10.249 1.00 0.00 C ATOM 97 O GLN A 7 70.020 8.451 10.356 1.00 0.00 O ATOM 98 CB GLN A 7 67.392 10.490 9.179 1.00 0.00 C ATOM 99 CG GLN A 7 68.188 11.710 9.605 1.00 0.00 C ATOM 100 CD GLN A 7 67.313 12.854 10.085 1.00 0.00 C ATOM 101 OE1 GLN A 7 67.745 13.679 10.888 1.00 0.00 O ATOM 102 NE2 GLN A 7 66.070 12.896 9.632 1.00 0.00 N ATOM 0 H GLN A 7 66.493 8.207 8.499 1.00 0.00 H new ATOM 0 HA GLN A 7 69.091 9.524 8.277 1.00 0.00 H new ATOM 0 HB2 GLN A 7 66.836 10.727 8.272 1.00 0.00 H new ATOM 0 HB3 GLN A 7 66.658 10.257 9.951 1.00 0.00 H new ATOM 0 HG2 GLN A 7 68.876 11.428 10.402 1.00 0.00 H new ATOM 0 HG3 GLN A 7 68.795 12.052 8.766 1.00 0.00 H new ATOM 0 HE21 GLN A 7 65.746 12.195 8.966 1.00 0.00 H new ATOM 0 HE22 GLN A 7 65.436 13.630 9.949 1.00 0.00 H new ATOM 111 N CYS A 8 67.958 8.598 11.240 1.00 0.00 N ATOM 112 CA CYS A 8 68.373 8.283 12.607 1.00 0.00 C ATOM 113 C CYS A 8 68.546 6.781 12.833 1.00 0.00 C ATOM 114 O CYS A 8 68.855 6.347 13.944 1.00 0.00 O ATOM 115 CB CYS A 8 67.332 8.839 13.572 1.00 0.00 C ATOM 116 SG CYS A 8 65.634 8.397 13.125 1.00 0.00 S ATOM 0 H CYS A 8 66.950 8.697 11.124 1.00 0.00 H new ATOM 0 HA CYS A 8 69.346 8.742 12.782 1.00 0.00 H new ATOM 0 HB2 CYS A 8 67.544 8.471 14.576 1.00 0.00 H new ATOM 0 HB3 CYS A 8 67.421 9.925 13.605 1.00 0.00 H new ATOM 0 HG CYS A 8 65.155 9.286 12.306 1.00 0.00 H new ATOM 121 N GLN A 9 68.349 5.999 11.779 1.00 0.00 N ATOM 122 CA GLN A 9 68.449 4.542 11.840 1.00 0.00 C ATOM 123 C GLN A 9 67.407 3.946 12.789 1.00 0.00 C ATOM 124 O GLN A 9 66.225 3.889 12.447 1.00 0.00 O ATOM 125 CB GLN A 9 69.865 4.095 12.222 1.00 0.00 C ATOM 126 CG GLN A 9 70.916 4.446 11.177 1.00 0.00 C ATOM 127 CD GLN A 9 70.754 3.659 9.886 1.00 0.00 C ATOM 128 OE1 GLN A 9 69.648 3.274 9.504 1.00 0.00 O ATOM 129 NE2 GLN A 9 71.861 3.409 9.208 1.00 0.00 N ATOM 0 H GLN A 9 68.114 6.357 10.853 1.00 0.00 H new ATOM 0 HA GLN A 9 68.239 4.161 10.841 1.00 0.00 H new ATOM 0 HB2 GLN A 9 70.139 4.556 13.171 1.00 0.00 H new ATOM 0 HB3 GLN A 9 69.867 3.016 12.380 1.00 0.00 H new ATOM 0 HG2 GLN A 9 70.859 5.512 10.956 1.00 0.00 H new ATOM 0 HG3 GLN A 9 71.907 4.258 11.589 1.00 0.00 H new ATOM 0 HE21 GLN A 9 72.759 3.744 9.556 1.00 0.00 H new ATOM 0 HE22 GLN A 9 71.817 2.881 8.337 1.00 0.00 H new ATOM 138 N HIS A 10 67.845 3.541 13.982 1.00 0.00 N ATOM 139 CA HIS A 10 66.984 2.878 14.968 1.00 0.00 C ATOM 140 C HIS A 10 66.259 1.676 14.347 1.00 0.00 C ATOM 141 O HIS A 10 66.800 0.571 14.316 1.00 0.00 O ATOM 142 CB HIS A 10 65.980 3.870 15.578 1.00 0.00 C ATOM 143 CG HIS A 10 65.203 3.319 16.742 1.00 0.00 C ATOM 144 ND1 HIS A 10 63.824 3.290 16.783 1.00 0.00 N ATOM 145 CD2 HIS A 10 65.622 2.784 17.913 1.00 0.00 C ATOM 146 CE1 HIS A 10 63.433 2.765 17.931 1.00 0.00 C ATOM 147 NE2 HIS A 10 64.503 2.446 18.633 1.00 0.00 N ATOM 0 H HIS A 10 68.808 3.663 14.294 1.00 0.00 H new ATOM 0 HA HIS A 10 67.620 2.507 15.771 1.00 0.00 H new ATOM 0 HB2 HIS A 10 66.517 4.761 15.903 1.00 0.00 H new ATOM 0 HB3 HIS A 10 65.280 4.184 14.804 1.00 0.00 H new ATOM 0 HD2 HIS A 10 66.647 2.648 18.223 1.00 0.00 H new ATOM 0 HE1 HIS A 10 62.409 2.621 18.242 1.00 0.00 H new ATOM 0 HE2 HIS A 10 64.500 2.018 19.559 1.00 0.00 H new ATOM 156 N VAL A 11 65.053 1.908 13.835 1.00 0.00 N ATOM 157 CA VAL A 11 64.253 0.863 13.209 1.00 0.00 C ATOM 158 C VAL A 11 62.945 1.456 12.690 1.00 0.00 C ATOM 159 O VAL A 11 62.420 2.416 13.264 1.00 0.00 O ATOM 160 CB VAL A 11 63.951 -0.303 14.190 1.00 0.00 C ATOM 161 CG1 VAL A 11 63.030 0.144 15.321 1.00 0.00 C ATOM 162 CG2 VAL A 11 63.363 -1.502 13.454 1.00 0.00 C ATOM 0 H VAL A 11 64.605 2.824 13.843 1.00 0.00 H new ATOM 0 HA VAL A 11 64.830 0.455 12.379 1.00 0.00 H new ATOM 0 HB VAL A 11 64.898 -0.610 14.634 1.00 0.00 H new ATOM 0 HG11 VAL A 11 62.839 -0.696 15.989 1.00 0.00 H new ATOM 0 HG12 VAL A 11 63.505 0.951 15.879 1.00 0.00 H new ATOM 0 HG13 VAL A 11 62.087 0.497 14.904 1.00 0.00 H new ATOM 0 HG21 VAL A 11 63.162 -2.303 14.166 1.00 0.00 H new ATOM 0 HG22 VAL A 11 62.434 -1.209 12.965 1.00 0.00 H new ATOM 0 HG23 VAL A 11 64.073 -1.853 12.705 1.00 0.00 H new ATOM 172 N LEU A 12 62.453 0.917 11.586 1.00 0.00 N ATOM 173 CA LEU A 12 61.161 1.309 11.050 1.00 0.00 C ATOM 174 C LEU A 12 60.093 0.320 11.483 1.00 0.00 C ATOM 175 O LEU A 12 59.971 -0.764 10.914 1.00 0.00 O ATOM 176 CB LEU A 12 61.200 1.382 9.521 1.00 0.00 C ATOM 177 CG LEU A 12 61.910 2.600 8.935 1.00 0.00 C ATOM 178 CD1 LEU A 12 61.977 2.494 7.419 1.00 0.00 C ATOM 179 CD2 LEU A 12 61.192 3.876 9.345 1.00 0.00 C ATOM 0 H LEU A 12 62.934 0.202 11.041 1.00 0.00 H new ATOM 0 HA LEU A 12 60.921 2.298 11.440 1.00 0.00 H new ATOM 0 HB2 LEU A 12 61.689 0.483 9.145 1.00 0.00 H new ATOM 0 HB3 LEU A 12 60.176 1.367 9.148 1.00 0.00 H new ATOM 0 HG LEU A 12 62.927 2.632 9.326 1.00 0.00 H new ATOM 0 HD11 LEU A 12 62.486 3.369 7.015 1.00 0.00 H new ATOM 0 HD12 LEU A 12 62.526 1.595 7.141 1.00 0.00 H new ATOM 0 HD13 LEU A 12 60.967 2.442 7.013 1.00 0.00 H new ATOM 0 HD21 LEU A 12 61.709 4.737 8.920 1.00 0.00 H new ATOM 0 HD22 LEU A 12 60.166 3.851 8.977 1.00 0.00 H new ATOM 0 HD23 LEU A 12 61.186 3.957 10.432 1.00 0.00 H new ATOM 191 N ASP A 13 59.340 0.684 12.505 1.00 0.00 N ATOM 192 CA ASP A 13 58.234 -0.144 12.948 1.00 0.00 C ATOM 193 C ASP A 13 56.986 0.263 12.183 1.00 0.00 C ATOM 194 O ASP A 13 56.255 1.172 12.586 1.00 0.00 O ATOM 195 CB ASP A 13 58.012 -0.009 14.451 1.00 0.00 C ATOM 196 CG ASP A 13 57.156 -1.131 15.005 1.00 0.00 C ATOM 197 OD1 ASP A 13 55.933 -1.125 14.777 1.00 0.00 O ATOM 198 OD2 ASP A 13 57.709 -2.021 15.690 1.00 0.00 O ATOM 0 H ASP A 13 59.473 1.542 13.041 1.00 0.00 H new ATOM 0 HA ASP A 13 58.465 -1.190 12.749 1.00 0.00 H new ATOM 0 HB2 ASP A 13 58.976 -0.004 14.960 1.00 0.00 H new ATOM 0 HB3 ASP A 13 57.535 0.948 14.662 1.00 0.00 H new ATOM 203 N GLN A 14 56.778 -0.406 11.063 1.00 0.00 N ATOM 204 CA GLN A 14 55.760 -0.014 10.103 1.00 0.00 C ATOM 205 C GLN A 14 54.362 -0.335 10.615 1.00 0.00 C ATOM 206 O GLN A 14 54.079 -1.460 11.016 1.00 0.00 O ATOM 207 CB GLN A 14 56.021 -0.732 8.776 1.00 0.00 C ATOM 208 CG GLN A 14 57.444 -0.547 8.272 1.00 0.00 C ATOM 209 CD GLN A 14 57.734 -1.346 7.018 1.00 0.00 C ATOM 210 OE1 GLN A 14 58.146 -2.500 7.085 1.00 0.00 O ATOM 211 NE2 GLN A 14 57.539 -0.729 5.867 1.00 0.00 N ATOM 0 H GLN A 14 57.308 -1.234 10.793 1.00 0.00 H new ATOM 0 HA GLN A 14 55.813 1.065 9.955 1.00 0.00 H new ATOM 0 HB2 GLN A 14 55.820 -1.796 8.899 1.00 0.00 H new ATOM 0 HB3 GLN A 14 55.324 -0.361 8.025 1.00 0.00 H new ATOM 0 HG2 GLN A 14 57.618 0.510 8.072 1.00 0.00 H new ATOM 0 HG3 GLN A 14 58.143 -0.843 9.055 1.00 0.00 H new ATOM 0 HE21 GLN A 14 57.195 0.231 5.855 1.00 0.00 H new ATOM 0 HE22 GLN A 14 57.732 -1.213 4.990 1.00 0.00 H new ATOM 220 N ASP A 15 53.501 0.680 10.612 1.00 0.00 N ATOM 221 CA ASP A 15 52.114 0.509 11.034 1.00 0.00 C ATOM 222 C ASP A 15 51.385 -0.404 10.063 1.00 0.00 C ATOM 223 O ASP A 15 50.846 -1.441 10.444 1.00 0.00 O ATOM 224 CB ASP A 15 51.386 1.858 11.083 1.00 0.00 C ATOM 225 CG ASP A 15 52.043 2.862 12.006 1.00 0.00 C ATOM 226 OD1 ASP A 15 51.813 2.793 13.228 1.00 0.00 O ATOM 227 OD2 ASP A 15 52.771 3.741 11.501 1.00 0.00 O ATOM 0 H ASP A 15 53.740 1.628 10.322 1.00 0.00 H new ATOM 0 HA ASP A 15 52.119 0.069 12.031 1.00 0.00 H new ATOM 0 HB2 ASP A 15 51.341 2.275 10.077 1.00 0.00 H new ATOM 0 HB3 ASP A 15 50.358 1.696 11.407 1.00 0.00 H new ATOM 232 N ASN A 16 51.384 0.000 8.800 1.00 0.00 N ATOM 233 CA ASN A 16 50.722 -0.753 7.740 1.00 0.00 C ATOM 234 C ASN A 16 51.051 -0.119 6.393 1.00 0.00 C ATOM 235 O ASN A 16 51.616 -0.761 5.513 1.00 0.00 O ATOM 236 CB ASN A 16 49.202 -0.775 7.957 1.00 0.00 C ATOM 237 CG ASN A 16 48.492 -1.819 7.110 1.00 0.00 C ATOM 238 OD1 ASN A 16 48.933 -2.165 6.014 1.00 0.00 O ATOM 239 ND2 ASN A 16 47.381 -2.329 7.617 1.00 0.00 N ATOM 0 H ASN A 16 51.840 0.855 8.481 1.00 0.00 H new ATOM 0 HA ASN A 16 51.081 -1.782 7.758 1.00 0.00 H new ATOM 0 HB2 ASN A 16 48.994 -0.968 9.010 1.00 0.00 H new ATOM 0 HB3 ASN A 16 48.794 0.209 7.727 1.00 0.00 H new ATOM 0 HD21 ASN A 16 46.859 -3.034 7.096 1.00 0.00 H new ATOM 0 HD22 ASN A 16 47.046 -2.017 8.529 1.00 0.00 H new ATOM 246 N GLY A 17 50.708 1.158 6.251 1.00 0.00 N ATOM 247 CA GLY A 17 50.996 1.873 5.020 1.00 0.00 C ATOM 248 C GLY A 17 51.962 3.022 5.233 1.00 0.00 C ATOM 249 O GLY A 17 52.096 3.900 4.385 1.00 0.00 O ATOM 0 H GLY A 17 50.236 1.711 6.967 1.00 0.00 H new ATOM 0 HA2 GLY A 17 51.415 1.180 4.290 1.00 0.00 H new ATOM 0 HA3 GLY A 17 50.066 2.256 4.599 1.00 0.00 H new ATOM 253 N HIS A 18 52.632 3.018 6.375 1.00 0.00 N ATOM 254 CA HIS A 18 53.596 4.061 6.704 1.00 0.00 C ATOM 255 C HIS A 18 54.845 3.458 7.318 1.00 0.00 C ATOM 256 O HIS A 18 54.761 2.535 8.130 1.00 0.00 O ATOM 257 CB HIS A 18 53.004 5.080 7.686 1.00 0.00 C ATOM 258 CG HIS A 18 52.165 6.148 7.052 1.00 0.00 C ATOM 259 ND1 HIS A 18 50.925 6.509 7.530 1.00 0.00 N ATOM 260 CD2 HIS A 18 52.412 6.968 6.002 1.00 0.00 C ATOM 261 CE1 HIS A 18 50.447 7.501 6.803 1.00 0.00 C ATOM 262 NE2 HIS A 18 51.327 7.801 5.869 1.00 0.00 N ATOM 0 H HIS A 18 52.526 2.302 7.093 1.00 0.00 H new ATOM 0 HA HIS A 18 53.850 4.570 5.774 1.00 0.00 H new ATOM 0 HB2 HIS A 18 52.397 4.548 8.419 1.00 0.00 H new ATOM 0 HB3 HIS A 18 53.820 5.554 8.232 1.00 0.00 H new ATOM 0 HD1 HIS A 18 50.450 6.077 8.323 1.00 0.00 H new ATOM 0 HD2 HIS A 18 53.298 6.967 5.384 1.00 0.00 H new ATOM 0 HE1 HIS A 18 49.493 7.986 6.949 1.00 0.00 H new ATOM 271 N ALA A 19 55.998 3.976 6.931 1.00 0.00 N ATOM 272 CA ALA A 19 57.246 3.592 7.559 1.00 0.00 C ATOM 273 C ALA A 19 57.547 4.562 8.691 1.00 0.00 C ATOM 274 O ALA A 19 58.170 5.606 8.486 1.00 0.00 O ATOM 275 CB ALA A 19 58.375 3.570 6.539 1.00 0.00 C ATOM 0 H ALA A 19 56.094 4.664 6.184 1.00 0.00 H new ATOM 0 HA ALA A 19 57.157 2.585 7.966 1.00 0.00 H new ATOM 0 HB1 ALA A 19 59.304 3.279 7.030 1.00 0.00 H new ATOM 0 HB2 ALA A 19 58.141 2.853 5.752 1.00 0.00 H new ATOM 0 HB3 ALA A 19 58.491 4.562 6.103 1.00 0.00 H new ATOM 281 N ARG A 20 57.071 4.228 9.879 1.00 0.00 N ATOM 282 CA ARG A 20 57.165 5.126 11.017 1.00 0.00 C ATOM 283 C ARG A 20 58.296 4.724 11.949 1.00 0.00 C ATOM 284 O ARG A 20 58.305 3.628 12.511 1.00 0.00 O ATOM 285 CB ARG A 20 55.830 5.163 11.770 1.00 0.00 C ATOM 286 CG ARG A 20 55.891 5.890 13.105 1.00 0.00 C ATOM 287 CD ARG A 20 54.501 6.117 13.681 1.00 0.00 C ATOM 288 NE ARG A 20 53.896 7.358 13.190 1.00 0.00 N ATOM 289 CZ ARG A 20 52.831 7.417 12.392 1.00 0.00 C ATOM 290 NH1 ARG A 20 52.294 6.312 11.898 1.00 0.00 N ATOM 291 NH2 ARG A 20 52.314 8.594 12.068 1.00 0.00 N ATOM 0 H ARG A 20 56.614 3.338 10.080 1.00 0.00 H new ATOM 0 HA ARG A 20 57.388 6.125 10.643 1.00 0.00 H new ATOM 0 HB2 ARG A 20 55.083 5.645 11.140 1.00 0.00 H new ATOM 0 HB3 ARG A 20 55.492 4.141 11.940 1.00 0.00 H new ATOM 0 HG2 ARG A 20 56.487 5.310 13.809 1.00 0.00 H new ATOM 0 HG3 ARG A 20 56.393 6.849 12.976 1.00 0.00 H new ATOM 0 HD2 ARG A 20 53.860 5.275 13.422 1.00 0.00 H new ATOM 0 HD3 ARG A 20 54.561 6.149 14.769 1.00 0.00 H new ATOM 0 HE ARG A 20 54.320 8.239 13.480 1.00 0.00 H new ATOM 0 HH11 ARG A 20 52.696 5.403 12.127 1.00 0.00 H new ATOM 0 HH12 ARG A 20 51.479 6.370 11.288 1.00 0.00 H new ATOM 0 HH21 ARG A 20 52.732 9.451 12.430 1.00 0.00 H new ATOM 0 HH22 ARG A 20 51.499 8.642 11.457 1.00 0.00 H new ATOM 305 N CYS A 21 59.260 5.617 12.093 1.00 0.00 N ATOM 306 CA CYS A 21 60.334 5.426 13.043 1.00 0.00 C ATOM 307 C CYS A 21 59.876 5.909 14.405 1.00 0.00 C ATOM 308 O CYS A 21 60.025 7.087 14.733 1.00 0.00 O ATOM 309 CB CYS A 21 61.577 6.194 12.597 1.00 0.00 C ATOM 310 SG CYS A 21 63.036 5.994 13.658 1.00 0.00 S ATOM 0 H CYS A 21 59.318 6.485 11.560 1.00 0.00 H new ATOM 0 HA CYS A 21 60.590 4.368 13.099 1.00 0.00 H new ATOM 0 HB2 CYS A 21 61.837 5.877 11.587 1.00 0.00 H new ATOM 0 HB3 CYS A 21 61.329 7.254 12.544 1.00 0.00 H new ATOM 0 HG CYS A 21 63.917 6.903 13.361 1.00 0.00 H new ATOM 315 N ARG A 22 59.288 4.998 15.174 1.00 0.00 N ATOM 316 CA ARG A 22 58.728 5.325 16.477 1.00 0.00 C ATOM 317 C ARG A 22 59.828 5.770 17.435 1.00 0.00 C ATOM 318 O ARG A 22 60.433 4.949 18.128 1.00 0.00 O ATOM 319 CB ARG A 22 57.973 4.122 17.046 1.00 0.00 C ATOM 320 CG ARG A 22 56.947 3.545 16.081 1.00 0.00 C ATOM 321 CD ARG A 22 56.198 2.375 16.692 1.00 0.00 C ATOM 322 NE ARG A 22 55.390 1.663 15.700 1.00 0.00 N ATOM 323 CZ ARG A 22 54.138 1.257 15.908 1.00 0.00 C ATOM 324 NH1 ARG A 22 53.520 1.546 17.045 1.00 0.00 N ATOM 325 NH2 ARG A 22 53.502 0.566 14.969 1.00 0.00 N ATOM 0 H ARG A 22 59.187 4.017 14.912 1.00 0.00 H new ATOM 0 HA ARG A 22 58.025 6.150 16.357 1.00 0.00 H new ATOM 0 HB2 ARG A 22 58.689 3.345 17.312 1.00 0.00 H new ATOM 0 HB3 ARG A 22 57.470 4.419 17.966 1.00 0.00 H new ATOM 0 HG2 ARG A 22 56.238 4.322 15.796 1.00 0.00 H new ATOM 0 HG3 ARG A 22 57.448 3.220 15.169 1.00 0.00 H new ATOM 0 HD2 ARG A 22 56.910 1.684 17.143 1.00 0.00 H new ATOM 0 HD3 ARG A 22 55.553 2.736 17.493 1.00 0.00 H new ATOM 0 HE ARG A 22 55.812 1.465 14.793 1.00 0.00 H new ATOM 0 HH11 ARG A 22 54.003 2.082 17.766 1.00 0.00 H new ATOM 0 HH12 ARG A 22 52.562 1.233 17.199 1.00 0.00 H new ATOM 0 HH21 ARG A 22 53.972 0.347 14.091 1.00 0.00 H new ATOM 0 HH22 ARG A 22 52.544 0.254 15.126 1.00 0.00 H new ATOM 339 N SER A 23 60.090 7.072 17.431 1.00 0.00 N ATOM 340 CA SER A 23 61.157 7.673 18.217 1.00 0.00 C ATOM 341 C SER A 23 61.330 9.126 17.801 1.00 0.00 C ATOM 342 O SER A 23 61.287 10.036 18.628 1.00 0.00 O ATOM 343 CB SER A 23 62.485 6.925 18.008 1.00 0.00 C ATOM 344 OG SER A 23 63.509 7.431 18.844 1.00 0.00 O ATOM 0 H SER A 23 59.562 7.745 16.876 1.00 0.00 H new ATOM 0 HA SER A 23 60.886 7.611 19.271 1.00 0.00 H new ATOM 0 HB2 SER A 23 62.341 5.864 18.211 1.00 0.00 H new ATOM 0 HB3 SER A 23 62.791 7.011 16.965 1.00 0.00 H new ATOM 0 HG SER A 23 64.337 6.932 18.686 1.00 0.00 H new ATOM 350 N CYS A 24 61.503 9.336 16.503 1.00 0.00 N ATOM 351 CA CYS A 24 61.815 10.656 15.975 1.00 0.00 C ATOM 352 C CYS A 24 60.560 11.405 15.547 1.00 0.00 C ATOM 353 O CYS A 24 60.590 12.619 15.357 1.00 0.00 O ATOM 354 CB CYS A 24 62.780 10.535 14.788 1.00 0.00 C ATOM 355 SG CYS A 24 62.214 9.428 13.461 1.00 0.00 S ATOM 0 H CYS A 24 61.432 8.606 15.794 1.00 0.00 H new ATOM 0 HA CYS A 24 62.288 11.227 16.774 1.00 0.00 H new ATOM 0 HB2 CYS A 24 62.946 11.528 14.369 1.00 0.00 H new ATOM 0 HB3 CYS A 24 63.743 10.179 15.154 1.00 0.00 H new ATOM 0 HG CYS A 24 63.090 9.418 12.501 1.00 0.00 H new ATOM 360 N GLY A 25 59.460 10.681 15.384 1.00 0.00 N ATOM 361 CA GLY A 25 58.260 11.278 14.829 1.00 0.00 C ATOM 362 C GLY A 25 58.288 11.231 13.316 1.00 0.00 C ATOM 363 O GLY A 25 57.264 11.019 12.668 1.00 0.00 O ATOM 0 H GLY A 25 59.377 9.693 15.625 1.00 0.00 H new ATOM 0 HA2 GLY A 25 57.381 10.749 15.198 1.00 0.00 H new ATOM 0 HA3 GLY A 25 58.174 12.312 15.164 1.00 0.00 H new ATOM 367 N GLU A 26 59.486 11.443 12.780 1.00 0.00 N ATOM 368 CA GLU A 26 59.787 11.281 11.363 1.00 0.00 C ATOM 369 C GLU A 26 59.253 9.945 10.834 1.00 0.00 C ATOM 370 O GLU A 26 59.770 8.869 11.164 1.00 0.00 O ATOM 371 CB GLU A 26 61.313 11.389 11.195 1.00 0.00 C ATOM 372 CG GLU A 26 61.914 10.624 10.026 1.00 0.00 C ATOM 373 CD GLU A 26 63.394 10.342 10.243 1.00 0.00 C ATOM 374 OE1 GLU A 26 63.738 9.673 11.263 1.00 0.00 O ATOM 375 OE2 GLU A 26 64.214 10.776 9.416 1.00 0.00 O ATOM 0 H GLU A 26 60.292 11.739 13.331 1.00 0.00 H new ATOM 0 HA GLU A 26 59.295 12.059 10.779 1.00 0.00 H new ATOM 0 HB2 GLU A 26 61.572 12.442 11.085 1.00 0.00 H new ATOM 0 HB3 GLU A 26 61.785 11.039 12.113 1.00 0.00 H new ATOM 0 HG2 GLU A 26 61.379 9.683 9.893 1.00 0.00 H new ATOM 0 HG3 GLU A 26 61.783 11.198 9.109 1.00 0.00 H new ATOM 382 N PHE A 27 58.186 10.025 10.050 1.00 0.00 N ATOM 383 CA PHE A 27 57.600 8.854 9.421 1.00 0.00 C ATOM 384 C PHE A 27 57.479 9.093 7.924 1.00 0.00 C ATOM 385 O PHE A 27 57.068 10.169 7.486 1.00 0.00 O ATOM 386 CB PHE A 27 56.232 8.515 10.042 1.00 0.00 C ATOM 387 CG PHE A 27 55.152 9.535 9.795 1.00 0.00 C ATOM 388 CD1 PHE A 27 55.179 10.771 10.421 1.00 0.00 C ATOM 389 CD2 PHE A 27 54.100 9.248 8.939 1.00 0.00 C ATOM 390 CE1 PHE A 27 54.182 11.700 10.198 1.00 0.00 C ATOM 391 CE2 PHE A 27 53.101 10.173 8.712 1.00 0.00 C ATOM 392 CZ PHE A 27 53.141 11.400 9.342 1.00 0.00 C ATOM 0 H PHE A 27 57.706 10.899 9.834 1.00 0.00 H new ATOM 0 HA PHE A 27 58.251 7.997 9.592 1.00 0.00 H new ATOM 0 HB2 PHE A 27 55.900 7.554 9.650 1.00 0.00 H new ATOM 0 HB3 PHE A 27 56.358 8.394 11.118 1.00 0.00 H new ATOM 0 HD1 PHE A 27 55.990 11.011 11.092 1.00 0.00 H new ATOM 0 HD2 PHE A 27 54.062 8.289 8.444 1.00 0.00 H new ATOM 0 HE1 PHE A 27 54.216 12.660 10.692 1.00 0.00 H new ATOM 0 HE2 PHE A 27 52.288 9.936 8.041 1.00 0.00 H new ATOM 0 HZ PHE A 27 52.360 12.124 9.166 1.00 0.00 H new ATOM 402 N ILE A 28 57.855 8.099 7.143 1.00 0.00 N ATOM 403 CA ILE A 28 57.918 8.258 5.701 1.00 0.00 C ATOM 404 C ILE A 28 56.825 7.447 5.012 1.00 0.00 C ATOM 405 O ILE A 28 56.542 6.309 5.395 1.00 0.00 O ATOM 406 CB ILE A 28 59.301 7.825 5.158 1.00 0.00 C ATOM 407 CG1 ILE A 28 60.416 8.563 5.908 1.00 0.00 C ATOM 408 CG2 ILE A 28 59.403 8.094 3.661 1.00 0.00 C ATOM 409 CD1 ILE A 28 61.811 8.150 5.489 1.00 0.00 C ATOM 0 H ILE A 28 58.121 7.174 7.481 1.00 0.00 H new ATOM 0 HA ILE A 28 57.765 9.315 5.482 1.00 0.00 H new ATOM 0 HB ILE A 28 59.415 6.753 5.320 1.00 0.00 H new ATOM 0 HG12 ILE A 28 60.301 9.635 5.748 1.00 0.00 H new ATOM 0 HG13 ILE A 28 60.301 8.386 6.977 1.00 0.00 H new ATOM 0 HG21 ILE A 28 60.383 7.782 3.301 1.00 0.00 H new ATOM 0 HG22 ILE A 28 58.629 7.533 3.137 1.00 0.00 H new ATOM 0 HG23 ILE A 28 59.270 9.159 3.473 1.00 0.00 H new ATOM 0 HD11 ILE A 28 62.546 8.715 6.063 1.00 0.00 H new ATOM 0 HD12 ILE A 28 61.946 7.085 5.675 1.00 0.00 H new ATOM 0 HD13 ILE A 28 61.947 8.353 4.427 1.00 0.00 H new ATOM 421 N GLU A 29 56.194 8.049 4.012 1.00 0.00 N ATOM 422 CA GLU A 29 55.235 7.344 3.179 1.00 0.00 C ATOM 423 C GLU A 29 55.968 6.387 2.259 1.00 0.00 C ATOM 424 O GLU A 29 57.147 6.579 1.956 1.00 0.00 O ATOM 425 CB GLU A 29 54.398 8.321 2.345 1.00 0.00 C ATOM 426 CG GLU A 29 53.376 9.110 3.147 1.00 0.00 C ATOM 427 CD GLU A 29 54.008 10.051 4.148 1.00 0.00 C ATOM 428 OE1 GLU A 29 54.696 11.003 3.722 1.00 0.00 O ATOM 429 OE2 GLU A 29 53.814 9.848 5.363 1.00 0.00 O ATOM 0 H GLU A 29 56.332 9.028 3.759 1.00 0.00 H new ATOM 0 HA GLU A 29 54.560 6.789 3.831 1.00 0.00 H new ATOM 0 HB2 GLU A 29 55.068 9.020 1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 29 53.879 7.763 1.566 1.00 0.00 H new ATOM 0 HG2 GLU A 29 52.750 9.683 2.463 1.00 0.00 H new ATOM 0 HG3 GLU A 29 52.721 8.416 3.673 1.00 0.00 H new ATOM 436 N MET A 30 55.281 5.356 1.818 1.00 0.00 N ATOM 437 CA MET A 30 55.894 4.374 0.949 1.00 0.00 C ATOM 438 C MET A 30 55.122 4.281 -0.353 1.00 0.00 C ATOM 439 O MET A 30 53.891 4.274 -0.353 1.00 0.00 O ATOM 440 CB MET A 30 55.957 3.010 1.638 1.00 0.00 C ATOM 441 CG MET A 30 56.623 3.060 3.004 1.00 0.00 C ATOM 442 SD MET A 30 56.931 1.428 3.703 1.00 0.00 S ATOM 443 CE MET A 30 58.215 0.835 2.603 1.00 0.00 C ATOM 0 H MET A 30 54.303 5.176 2.045 1.00 0.00 H new ATOM 0 HA MET A 30 56.914 4.688 0.729 1.00 0.00 H new ATOM 0 HB2 MET A 30 54.946 2.619 1.748 1.00 0.00 H new ATOM 0 HB3 MET A 30 56.501 2.313 1.001 1.00 0.00 H new ATOM 0 HG2 MET A 30 57.568 3.597 2.921 1.00 0.00 H new ATOM 0 HG3 MET A 30 55.993 3.628 3.688 1.00 0.00 H new ATOM 0 HE1 MET A 30 58.210 -0.255 2.592 1.00 0.00 H new ATOM 0 HE2 MET A 30 58.032 1.209 1.595 1.00 0.00 H new ATOM 0 HE3 MET A 30 59.185 1.190 2.951 1.00 0.00 H new ATOM 453 N LYS A 31 55.848 4.228 -1.454 1.00 0.00 N ATOM 454 CA LYS A 31 55.230 4.182 -2.766 1.00 0.00 C ATOM 455 C LYS A 31 54.867 2.755 -3.123 1.00 0.00 C ATOM 456 O LYS A 31 55.728 1.870 -3.134 1.00 0.00 O ATOM 457 CB LYS A 31 56.169 4.757 -3.825 1.00 0.00 C ATOM 458 CG LYS A 31 56.562 6.203 -3.580 1.00 0.00 C ATOM 459 CD LYS A 31 57.567 6.677 -4.614 1.00 0.00 C ATOM 460 CE LYS A 31 57.980 8.120 -4.378 1.00 0.00 C ATOM 461 NZ LYS A 31 59.057 8.544 -5.310 1.00 0.00 N ATOM 0 H LYS A 31 56.868 4.216 -1.466 1.00 0.00 H new ATOM 0 HA LYS A 31 54.323 4.786 -2.738 1.00 0.00 H new ATOM 0 HB2 LYS A 31 57.072 4.147 -3.865 1.00 0.00 H new ATOM 0 HB3 LYS A 31 55.690 4.682 -4.801 1.00 0.00 H new ATOM 0 HG2 LYS A 31 55.675 6.835 -3.614 1.00 0.00 H new ATOM 0 HG3 LYS A 31 56.987 6.304 -2.582 1.00 0.00 H new ATOM 0 HD2 LYS A 31 58.449 6.037 -4.584 1.00 0.00 H new ATOM 0 HD3 LYS A 31 57.136 6.580 -5.611 1.00 0.00 H new ATOM 0 HE2 LYS A 31 57.115 8.771 -4.502 1.00 0.00 H new ATOM 0 HE3 LYS A 31 58.322 8.237 -3.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 59.312 9.534 -5.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 59.892 7.939 -5.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 58.722 8.456 -6.291 1.00 0.00 H new ATOM 475 N ALA A 32 53.592 2.535 -3.391 1.00 0.00 N ATOM 476 CA ALA A 32 53.112 1.228 -3.788 1.00 0.00 C ATOM 477 C ALA A 32 53.321 1.021 -5.281 1.00 0.00 C ATOM 478 O ALA A 32 52.508 1.453 -6.102 1.00 0.00 O ATOM 479 CB ALA A 32 51.645 1.064 -3.419 1.00 0.00 C ATOM 0 H ALA A 32 52.868 3.252 -3.340 1.00 0.00 H new ATOM 0 HA ALA A 32 53.683 0.469 -3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.301 0.076 -3.725 1.00 0.00 H new ATOM 0 HB2 ALA A 32 51.527 1.172 -2.341 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.055 1.827 -3.927 1.00 0.00 H new ATOM 485 N LEU A 33 54.431 0.395 -5.631 1.00 0.00 N ATOM 486 CA LEU A 33 54.743 0.127 -7.023 1.00 0.00 C ATOM 487 C LEU A 33 54.478 -1.336 -7.348 1.00 0.00 C ATOM 488 O LEU A 33 54.354 -2.171 -6.451 1.00 0.00 O ATOM 489 CB LEU A 33 56.206 0.468 -7.323 1.00 0.00 C ATOM 490 CG LEU A 33 56.634 1.901 -6.986 1.00 0.00 C ATOM 491 CD1 LEU A 33 58.088 2.123 -7.367 1.00 0.00 C ATOM 492 CD2 LEU A 33 55.746 2.915 -7.689 1.00 0.00 C ATOM 0 H LEU A 33 55.132 0.062 -4.969 1.00 0.00 H new ATOM 0 HA LEU A 33 54.103 0.753 -7.644 1.00 0.00 H new ATOM 0 HB2 LEU A 33 56.842 -0.222 -6.769 1.00 0.00 H new ATOM 0 HB3 LEU A 33 56.392 0.292 -8.383 1.00 0.00 H new ATOM 0 HG LEU A 33 56.526 2.041 -5.910 1.00 0.00 H new ATOM 0 HD11 LEU A 33 58.377 3.145 -7.121 1.00 0.00 H new ATOM 0 HD12 LEU A 33 58.719 1.426 -6.816 1.00 0.00 H new ATOM 0 HD13 LEU A 33 58.213 1.958 -8.437 1.00 0.00 H new ATOM 0 HD21 LEU A 33 56.071 3.923 -7.433 1.00 0.00 H new ATOM 0 HD22 LEU A 33 55.816 2.774 -8.768 1.00 0.00 H new ATOM 0 HD23 LEU A 33 54.713 2.776 -7.372 1.00 0.00 H new ATOM 504 N CYS A 34 54.377 -1.642 -8.627 1.00 0.00 N ATOM 505 CA CYS A 34 54.200 -3.015 -9.061 1.00 0.00 C ATOM 506 C CYS A 34 55.562 -3.693 -9.163 1.00 0.00 C ATOM 507 O CYS A 34 56.480 -3.143 -9.767 1.00 0.00 O ATOM 508 CB CYS A 34 53.480 -3.049 -10.410 1.00 0.00 C ATOM 509 SG CYS A 34 52.934 -4.696 -10.923 1.00 0.00 S ATOM 0 H CYS A 34 54.414 -0.959 -9.384 1.00 0.00 H new ATOM 0 HA CYS A 34 53.591 -3.552 -8.334 1.00 0.00 H new ATOM 0 HB2 CYS A 34 52.613 -2.390 -10.362 1.00 0.00 H new ATOM 0 HB3 CYS A 34 54.145 -2.646 -11.174 1.00 0.00 H new ATOM 0 HG CYS A 34 53.415 -4.965 -12.100 1.00 0.00 H new ATOM 514 N PRO A 35 55.708 -4.893 -8.577 1.00 0.00 N ATOM 515 CA PRO A 35 56.994 -5.606 -8.526 1.00 0.00 C ATOM 516 C PRO A 35 57.597 -5.841 -9.910 1.00 0.00 C ATOM 517 O PRO A 35 58.813 -5.797 -10.084 1.00 0.00 O ATOM 518 CB PRO A 35 56.646 -6.948 -7.863 1.00 0.00 C ATOM 519 CG PRO A 35 55.162 -7.066 -7.965 1.00 0.00 C ATOM 520 CD PRO A 35 54.637 -5.661 -7.920 1.00 0.00 C ATOM 0 HA PRO A 35 57.744 -5.029 -7.985 1.00 0.00 H new ATOM 0 HB2 PRO A 35 57.142 -7.777 -8.369 1.00 0.00 H new ATOM 0 HB3 PRO A 35 56.971 -6.969 -6.823 1.00 0.00 H new ATOM 0 HG2 PRO A 35 54.872 -7.563 -8.891 1.00 0.00 H new ATOM 0 HG3 PRO A 35 54.760 -7.660 -7.145 1.00 0.00 H new ATOM 0 HD2 PRO A 35 53.688 -5.566 -8.448 1.00 0.00 H new ATOM 0 HD3 PRO A 35 54.467 -5.325 -6.897 1.00 0.00 H new ATOM 528 N ASP A 36 56.737 -6.076 -10.891 1.00 0.00 N ATOM 529 CA ASP A 36 57.179 -6.369 -12.250 1.00 0.00 C ATOM 530 C ASP A 36 57.521 -5.096 -13.033 1.00 0.00 C ATOM 531 O ASP A 36 58.691 -4.774 -13.222 1.00 0.00 O ATOM 532 CB ASP A 36 56.117 -7.195 -12.997 1.00 0.00 C ATOM 533 CG ASP A 36 54.689 -6.759 -12.699 1.00 0.00 C ATOM 534 OD1 ASP A 36 54.270 -5.668 -13.154 1.00 0.00 O ATOM 535 OD2 ASP A 36 53.967 -7.497 -12.013 1.00 0.00 O ATOM 0 H ASP A 36 55.724 -6.070 -10.772 1.00 0.00 H new ATOM 0 HA ASP A 36 58.094 -6.956 -12.173 1.00 0.00 H new ATOM 0 HB2 ASP A 36 56.296 -7.118 -14.069 1.00 0.00 H new ATOM 0 HB3 ASP A 36 56.231 -8.246 -12.730 1.00 0.00 H new ATOM 540 N CYS A 37 56.498 -4.372 -13.471 1.00 0.00 N ATOM 541 CA CYS A 37 56.677 -3.203 -14.330 1.00 0.00 C ATOM 542 C CYS A 37 57.217 -1.991 -13.567 1.00 0.00 C ATOM 543 O CYS A 37 57.582 -0.985 -14.179 1.00 0.00 O ATOM 544 CB CYS A 37 55.348 -2.857 -15.014 1.00 0.00 C ATOM 545 SG CYS A 37 53.892 -2.990 -13.938 1.00 0.00 S ATOM 0 H CYS A 37 55.525 -4.575 -13.243 1.00 0.00 H new ATOM 0 HA CYS A 37 57.424 -3.459 -15.082 1.00 0.00 H new ATOM 0 HB2 CYS A 37 55.407 -1.840 -15.401 1.00 0.00 H new ATOM 0 HB3 CYS A 37 55.212 -3.516 -15.871 1.00 0.00 H new ATOM 0 HG CYS A 37 53.613 -4.244 -13.738 1.00 0.00 H new ATOM 550 N HIS A 38 57.247 -2.088 -12.238 1.00 0.00 N ATOM 551 CA HIS A 38 57.761 -1.017 -11.367 1.00 0.00 C ATOM 552 C HIS A 38 56.930 0.256 -11.451 1.00 0.00 C ATOM 553 O HIS A 38 57.279 1.272 -10.856 1.00 0.00 O ATOM 554 CB HIS A 38 59.228 -0.704 -11.670 1.00 0.00 C ATOM 555 CG HIS A 38 60.185 -1.596 -10.948 1.00 0.00 C ATOM 556 ND1 HIS A 38 60.927 -1.177 -9.866 1.00 0.00 N ATOM 557 CD2 HIS A 38 60.515 -2.891 -11.149 1.00 0.00 C ATOM 558 CE1 HIS A 38 61.670 -2.175 -9.433 1.00 0.00 C ATOM 559 NE2 HIS A 38 61.440 -3.229 -10.193 1.00 0.00 N ATOM 0 H HIS A 38 56.917 -2.908 -11.730 1.00 0.00 H new ATOM 0 HA HIS A 38 57.684 -1.395 -10.348 1.00 0.00 H new ATOM 0 HB2 HIS A 38 59.397 -0.794 -12.743 1.00 0.00 H new ATOM 0 HB3 HIS A 38 59.434 0.332 -11.401 1.00 0.00 H new ATOM 0 HD2 HIS A 38 60.124 -3.539 -11.919 1.00 0.00 H new ATOM 0 HE1 HIS A 38 62.352 -2.137 -8.597 1.00 0.00 H new ATOM 0 HE2 HIS A 38 61.878 -4.144 -10.087 1.00 0.00 H new ATOM 568 N GLN A 39 55.823 0.198 -12.171 1.00 0.00 N ATOM 569 CA GLN A 39 54.941 1.339 -12.281 1.00 0.00 C ATOM 570 C GLN A 39 53.961 1.344 -11.115 1.00 0.00 C ATOM 571 O GLN A 39 53.544 0.279 -10.650 1.00 0.00 O ATOM 572 CB GLN A 39 54.207 1.323 -13.624 1.00 0.00 C ATOM 573 CG GLN A 39 55.149 1.432 -14.813 1.00 0.00 C ATOM 574 CD GLN A 39 54.422 1.534 -16.138 1.00 0.00 C ATOM 575 OE1 GLN A 39 53.310 2.056 -16.213 1.00 0.00 O ATOM 576 NE2 GLN A 39 55.049 1.040 -17.197 1.00 0.00 N ATOM 0 H GLN A 39 55.517 -0.627 -12.686 1.00 0.00 H new ATOM 0 HA GLN A 39 55.531 2.254 -12.240 1.00 0.00 H new ATOM 0 HB2 GLN A 39 53.630 0.402 -13.707 1.00 0.00 H new ATOM 0 HB3 GLN A 39 53.495 2.148 -13.654 1.00 0.00 H new ATOM 0 HG2 GLN A 39 55.785 2.308 -14.686 1.00 0.00 H new ATOM 0 HG3 GLN A 39 55.805 0.561 -14.831 1.00 0.00 H new ATOM 0 HE21 GLN A 39 55.970 0.615 -17.092 1.00 0.00 H new ATOM 0 HE22 GLN A 39 54.610 1.085 -18.117 1.00 0.00 H new ATOM 585 N PRO A 40 53.604 2.541 -10.622 1.00 0.00 N ATOM 586 CA PRO A 40 52.743 2.707 -9.447 1.00 0.00 C ATOM 587 C PRO A 40 51.424 1.953 -9.554 1.00 0.00 C ATOM 588 O PRO A 40 50.831 1.848 -10.631 1.00 0.00 O ATOM 589 CB PRO A 40 52.484 4.219 -9.384 1.00 0.00 C ATOM 590 CG PRO A 40 52.940 4.761 -10.697 1.00 0.00 C ATOM 591 CD PRO A 40 54.017 3.836 -11.176 1.00 0.00 C ATOM 0 HA PRO A 40 53.223 2.303 -8.556 1.00 0.00 H new ATOM 0 HB2 PRO A 40 51.427 4.429 -9.219 1.00 0.00 H new ATOM 0 HB3 PRO A 40 53.032 4.676 -8.560 1.00 0.00 H new ATOM 0 HG2 PRO A 40 52.116 4.802 -11.409 1.00 0.00 H new ATOM 0 HG3 PRO A 40 53.319 5.777 -10.589 1.00 0.00 H new ATOM 0 HD2 PRO A 40 54.074 3.811 -12.264 1.00 0.00 H new ATOM 0 HD3 PRO A 40 55.000 4.137 -10.812 1.00 0.00 H new ATOM 599 N LEU A 41 50.982 1.423 -8.429 1.00 0.00 N ATOM 600 CA LEU A 41 49.730 0.699 -8.369 1.00 0.00 C ATOM 601 C LEU A 41 48.597 1.639 -8.002 1.00 0.00 C ATOM 602 O LEU A 41 48.745 2.497 -7.131 1.00 0.00 O ATOM 603 CB LEU A 41 49.824 -0.431 -7.344 1.00 0.00 C ATOM 604 CG LEU A 41 50.838 -1.521 -7.684 1.00 0.00 C ATOM 605 CD1 LEU A 41 50.911 -2.548 -6.571 1.00 0.00 C ATOM 606 CD2 LEU A 41 50.473 -2.191 -8.993 1.00 0.00 C ATOM 0 H LEU A 41 51.477 1.482 -7.539 1.00 0.00 H new ATOM 0 HA LEU A 41 49.528 0.270 -9.350 1.00 0.00 H new ATOM 0 HB2 LEU A 41 50.082 -0.003 -6.375 1.00 0.00 H new ATOM 0 HB3 LEU A 41 48.841 -0.889 -7.238 1.00 0.00 H new ATOM 0 HG LEU A 41 51.818 -1.057 -7.790 1.00 0.00 H new ATOM 0 HD11 LEU A 41 51.639 -3.316 -6.832 1.00 0.00 H new ATOM 0 HD12 LEU A 41 51.215 -2.060 -5.645 1.00 0.00 H new ATOM 0 HD13 LEU A 41 49.932 -3.007 -6.435 1.00 0.00 H new ATOM 0 HD21 LEU A 41 51.205 -2.966 -9.222 1.00 0.00 H new ATOM 0 HD22 LEU A 41 49.484 -2.640 -8.908 1.00 0.00 H new ATOM 0 HD23 LEU A 41 50.467 -1.450 -9.792 1.00 0.00 H new ATOM 618 N GLN A 42 47.472 1.487 -8.679 1.00 0.00 N ATOM 619 CA GLN A 42 46.307 2.295 -8.390 1.00 0.00 C ATOM 620 C GLN A 42 45.675 1.826 -7.088 1.00 0.00 C ATOM 621 O GLN A 42 45.169 0.705 -7.000 1.00 0.00 O ATOM 622 CB GLN A 42 45.305 2.216 -9.545 1.00 0.00 C ATOM 623 CG GLN A 42 44.099 3.124 -9.375 1.00 0.00 C ATOM 624 CD GLN A 42 43.181 3.096 -10.579 1.00 0.00 C ATOM 625 OE1 GLN A 42 42.268 2.278 -10.656 1.00 0.00 O ATOM 626 NE2 GLN A 42 43.411 3.993 -11.524 1.00 0.00 N ATOM 0 H GLN A 42 47.344 0.811 -9.432 1.00 0.00 H new ATOM 0 HA GLN A 42 46.607 3.337 -8.278 1.00 0.00 H new ATOM 0 HB2 GLN A 42 45.814 2.474 -10.473 1.00 0.00 H new ATOM 0 HB3 GLN A 42 44.961 1.186 -9.646 1.00 0.00 H new ATOM 0 HG2 GLN A 42 43.541 2.821 -8.489 1.00 0.00 H new ATOM 0 HG3 GLN A 42 44.438 4.146 -9.204 1.00 0.00 H new ATOM 0 HE21 GLN A 42 44.180 4.655 -11.422 1.00 0.00 H new ATOM 0 HE22 GLN A 42 42.819 4.022 -12.354 1.00 0.00 H new ATOM 635 N VAL A 43 45.743 2.671 -6.075 1.00 0.00 N ATOM 636 CA VAL A 43 45.218 2.339 -4.763 1.00 0.00 C ATOM 637 C VAL A 43 43.697 2.382 -4.774 1.00 0.00 C ATOM 638 O VAL A 43 43.096 3.432 -5.008 1.00 0.00 O ATOM 639 CB VAL A 43 45.760 3.298 -3.681 1.00 0.00 C ATOM 640 CG1 VAL A 43 45.220 2.931 -2.307 1.00 0.00 C ATOM 641 CG2 VAL A 43 47.283 3.290 -3.674 1.00 0.00 C ATOM 0 H VAL A 43 46.160 3.600 -6.137 1.00 0.00 H new ATOM 0 HA VAL A 43 45.548 1.329 -4.521 1.00 0.00 H new ATOM 0 HB VAL A 43 45.419 4.305 -3.921 1.00 0.00 H new ATOM 0 HG11 VAL A 43 45.617 3.622 -1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 43 44.132 2.993 -2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 43 45.523 1.915 -2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 43 47.647 3.972 -2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 43 47.641 2.282 -3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 43 47.653 3.611 -4.648 1.00 0.00 H new ATOM 651 N LEU A 44 43.082 1.233 -4.537 1.00 0.00 N ATOM 652 CA LEU A 44 41.633 1.118 -4.543 1.00 0.00 C ATOM 653 C LEU A 44 41.109 0.959 -3.122 1.00 0.00 C ATOM 654 O LEU A 44 41.058 -0.153 -2.604 1.00 0.00 O ATOM 655 CB LEU A 44 41.190 -0.098 -5.366 1.00 0.00 C ATOM 656 CG LEU A 44 41.791 -0.220 -6.768 1.00 0.00 C ATOM 657 CD1 LEU A 44 41.283 -1.482 -7.448 1.00 0.00 C ATOM 658 CD2 LEU A 44 41.461 1.003 -7.604 1.00 0.00 C ATOM 0 H LEU A 44 43.570 0.360 -4.336 1.00 0.00 H new ATOM 0 HA LEU A 44 41.229 2.027 -4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 44 41.440 -1.000 -4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 44 40.104 -0.071 -5.460 1.00 0.00 H new ATOM 0 HG LEU A 44 42.875 -0.284 -6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 44 41.717 -1.558 -8.445 1.00 0.00 H new ATOM 0 HD12 LEU A 44 41.570 -2.353 -6.859 1.00 0.00 H new ATOM 0 HD13 LEU A 44 40.197 -1.440 -7.528 1.00 0.00 H new ATOM 0 HD21 LEU A 44 41.898 0.894 -8.596 1.00 0.00 H new ATOM 0 HD22 LEU A 44 40.379 1.102 -7.693 1.00 0.00 H new ATOM 0 HD23 LEU A 44 41.868 1.893 -7.124 1.00 0.00 H new ATOM 670 N LYS A 45 40.754 2.059 -2.479 1.00 0.00 N ATOM 671 CA LYS A 45 40.166 1.982 -1.153 1.00 0.00 C ATOM 672 C LYS A 45 38.649 2.053 -1.250 1.00 0.00 C ATOM 673 O LYS A 45 38.086 3.097 -1.580 1.00 0.00 O ATOM 674 CB LYS A 45 40.683 3.099 -0.244 1.00 0.00 C ATOM 675 CG LYS A 45 40.171 2.981 1.186 1.00 0.00 C ATOM 676 CD LYS A 45 40.614 4.144 2.062 1.00 0.00 C ATOM 677 CE LYS A 45 40.049 5.467 1.571 1.00 0.00 C ATOM 678 NZ LYS A 45 40.255 6.559 2.559 1.00 0.00 N ATOM 0 H LYS A 45 40.861 3.004 -2.848 1.00 0.00 H new ATOM 0 HA LYS A 45 40.458 1.028 -0.713 1.00 0.00 H new ATOM 0 HB2 LYS A 45 41.773 3.081 -0.238 1.00 0.00 H new ATOM 0 HB3 LYS A 45 40.383 4.063 -0.654 1.00 0.00 H new ATOM 0 HG2 LYS A 45 39.082 2.932 1.176 1.00 0.00 H new ATOM 0 HG3 LYS A 45 40.528 2.047 1.620 1.00 0.00 H new ATOM 0 HD2 LYS A 45 40.291 3.969 3.088 1.00 0.00 H new ATOM 0 HD3 LYS A 45 41.703 4.196 2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 45 40.524 5.737 0.628 1.00 0.00 H new ATOM 0 HE3 LYS A 45 38.983 5.355 1.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 39.856 7.444 2.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 39.781 6.314 3.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 41.273 6.684 2.731 1.00 0.00 H new ATOM 692 N ALA A 46 37.994 0.939 -0.967 1.00 0.00 N ATOM 693 CA ALA A 46 36.545 0.866 -1.042 1.00 0.00 C ATOM 694 C ALA A 46 35.944 0.773 0.353 1.00 0.00 C ATOM 695 O ALA A 46 35.770 -0.321 0.889 1.00 0.00 O ATOM 696 CB ALA A 46 36.113 -0.319 -1.896 1.00 0.00 C ATOM 0 H ALA A 46 38.445 0.070 -0.682 1.00 0.00 H new ATOM 0 HA ALA A 46 36.177 1.777 -1.513 1.00 0.00 H new ATOM 0 HB1 ALA A 46 35.025 -0.358 -1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 46 36.514 -0.207 -2.903 1.00 0.00 H new ATOM 0 HB3 ALA A 46 36.491 -1.242 -1.456 1.00 0.00 H new ATOM 702 N CYS A 47 35.669 1.938 0.942 1.00 0.00 N ATOM 703 CA CYS A 47 35.086 2.037 2.281 1.00 0.00 C ATOM 704 C CYS A 47 36.068 1.557 3.358 1.00 0.00 C ATOM 705 O CYS A 47 36.613 2.365 4.112 1.00 0.00 O ATOM 706 CB CYS A 47 33.764 1.260 2.362 1.00 0.00 C ATOM 707 SG CYS A 47 32.908 1.397 3.949 1.00 0.00 S ATOM 0 H CYS A 47 35.845 2.842 0.503 1.00 0.00 H new ATOM 0 HA CYS A 47 34.875 3.089 2.471 1.00 0.00 H new ATOM 0 HB2 CYS A 47 33.100 1.615 1.574 1.00 0.00 H new ATOM 0 HB3 CYS A 47 33.963 0.207 2.161 1.00 0.00 H new ATOM 0 HG CYS A 47 31.807 0.708 3.909 1.00 0.00 H new ATOM 713 N GLY A 48 36.305 0.252 3.417 1.00 0.00 N ATOM 714 CA GLY A 48 37.174 -0.301 4.438 1.00 0.00 C ATOM 715 C GLY A 48 38.377 -1.015 3.858 1.00 0.00 C ATOM 716 O GLY A 48 39.500 -0.840 4.334 1.00 0.00 O ATOM 0 H GLY A 48 35.910 -0.434 2.774 1.00 0.00 H new ATOM 0 HA2 GLY A 48 37.514 0.501 5.093 1.00 0.00 H new ATOM 0 HA3 GLY A 48 36.606 -0.997 5.055 1.00 0.00 H new ATOM 720 N ALA A 49 38.148 -1.821 2.832 1.00 0.00 N ATOM 721 CA ALA A 49 39.217 -2.590 2.214 1.00 0.00 C ATOM 722 C ALA A 49 39.977 -1.755 1.193 1.00 0.00 C ATOM 723 O ALA A 49 39.453 -0.774 0.661 1.00 0.00 O ATOM 724 CB ALA A 49 38.661 -3.842 1.559 1.00 0.00 C ATOM 0 H ALA A 49 37.230 -1.959 2.410 1.00 0.00 H new ATOM 0 HA ALA A 49 39.914 -2.883 2.999 1.00 0.00 H new ATOM 0 HB1 ALA A 49 39.474 -4.405 1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 49 38.171 -4.459 2.312 1.00 0.00 H new ATOM 0 HB3 ALA A 49 37.938 -3.561 0.793 1.00 0.00 H new ATOM 730 N VAL A 50 41.212 -2.146 0.929 1.00 0.00 N ATOM 731 CA VAL A 50 42.044 -1.453 -0.036 1.00 0.00 C ATOM 732 C VAL A 50 42.818 -2.456 -0.889 1.00 0.00 C ATOM 733 O VAL A 50 43.350 -3.442 -0.374 1.00 0.00 O ATOM 734 CB VAL A 50 43.021 -0.478 0.664 1.00 0.00 C ATOM 735 CG1 VAL A 50 43.903 -1.208 1.668 1.00 0.00 C ATOM 736 CG2 VAL A 50 43.867 0.269 -0.357 1.00 0.00 C ATOM 0 H VAL A 50 41.662 -2.946 1.374 1.00 0.00 H new ATOM 0 HA VAL A 50 41.390 -0.869 -0.684 1.00 0.00 H new ATOM 0 HB VAL A 50 42.426 0.253 1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 50 44.579 -0.497 2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 50 43.278 -1.678 2.427 1.00 0.00 H new ATOM 0 HG13 VAL A 50 44.485 -1.972 1.153 1.00 0.00 H new ATOM 0 HG21 VAL A 50 44.545 0.948 0.160 1.00 0.00 H new ATOM 0 HG22 VAL A 50 44.445 -0.445 -0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 50 43.217 0.840 -1.020 1.00 0.00 H new ATOM 746 N ASP A 51 42.842 -2.225 -2.195 1.00 0.00 N ATOM 747 CA ASP A 51 43.590 -3.076 -3.110 1.00 0.00 C ATOM 748 C ASP A 51 44.582 -2.251 -3.907 1.00 0.00 C ATOM 749 O ASP A 51 44.563 -1.020 -3.864 1.00 0.00 O ATOM 750 CB ASP A 51 42.658 -3.819 -4.075 1.00 0.00 C ATOM 751 CG ASP A 51 41.815 -4.872 -3.390 1.00 0.00 C ATOM 752 OD1 ASP A 51 42.328 -5.982 -3.131 1.00 0.00 O ATOM 753 OD2 ASP A 51 40.629 -4.601 -3.115 1.00 0.00 O ATOM 0 H ASP A 51 42.350 -1.453 -2.645 1.00 0.00 H new ATOM 0 HA ASP A 51 44.124 -3.812 -2.508 1.00 0.00 H new ATOM 0 HB2 ASP A 51 42.003 -3.099 -4.565 1.00 0.00 H new ATOM 0 HB3 ASP A 51 43.254 -4.290 -4.856 1.00 0.00 H new ATOM 758 N TYR A 52 45.448 -2.935 -4.633 1.00 0.00 N ATOM 759 CA TYR A 52 46.435 -2.279 -5.473 1.00 0.00 C ATOM 760 C TYR A 52 46.295 -2.783 -6.901 1.00 0.00 C ATOM 761 O TYR A 52 46.527 -3.956 -7.181 1.00 0.00 O ATOM 762 CB TYR A 52 47.843 -2.539 -4.940 1.00 0.00 C ATOM 763 CG TYR A 52 48.032 -2.084 -3.509 1.00 0.00 C ATOM 764 CD1 TYR A 52 48.401 -0.776 -3.218 1.00 0.00 C ATOM 765 CD2 TYR A 52 47.831 -2.960 -2.449 1.00 0.00 C ATOM 766 CE1 TYR A 52 48.566 -0.357 -1.910 1.00 0.00 C ATOM 767 CE2 TYR A 52 47.994 -2.547 -1.142 1.00 0.00 C ATOM 768 CZ TYR A 52 48.363 -1.247 -0.877 1.00 0.00 C ATOM 769 OH TYR A 52 48.524 -0.835 0.424 1.00 0.00 O ATOM 0 H TYR A 52 45.488 -3.954 -4.658 1.00 0.00 H new ATOM 0 HA TYR A 52 46.265 -1.202 -5.460 1.00 0.00 H new ATOM 0 HB2 TYR A 52 48.059 -3.605 -5.007 1.00 0.00 H new ATOM 0 HB3 TYR A 52 48.565 -2.027 -5.576 1.00 0.00 H new ATOM 0 HD1 TYR A 52 48.561 -0.076 -4.025 1.00 0.00 H new ATOM 0 HD2 TYR A 52 47.542 -3.981 -2.651 1.00 0.00 H new ATOM 0 HE1 TYR A 52 48.853 0.663 -1.699 1.00 0.00 H new ATOM 0 HE2 TYR A 52 47.833 -3.241 -0.330 1.00 0.00 H new ATOM 0 HH TYR A 52 48.342 -1.584 1.029 1.00 0.00 H new ATOM 779 N PHE A 53 45.892 -1.898 -7.794 1.00 0.00 N ATOM 780 CA PHE A 53 45.543 -2.286 -9.150 1.00 0.00 C ATOM 781 C PHE A 53 46.634 -1.906 -10.149 1.00 0.00 C ATOM 782 O PHE A 53 46.958 -0.730 -10.319 1.00 0.00 O ATOM 783 CB PHE A 53 44.213 -1.630 -9.524 1.00 0.00 C ATOM 784 CG PHE A 53 43.660 -2.048 -10.853 1.00 0.00 C ATOM 785 CD1 PHE A 53 43.287 -3.362 -11.085 1.00 0.00 C ATOM 786 CD2 PHE A 53 43.503 -1.121 -11.868 1.00 0.00 C ATOM 787 CE1 PHE A 53 42.768 -3.742 -12.307 1.00 0.00 C ATOM 788 CE2 PHE A 53 42.983 -1.494 -13.090 1.00 0.00 C ATOM 789 CZ PHE A 53 42.616 -2.808 -13.313 1.00 0.00 C ATOM 0 H PHE A 53 45.798 -0.900 -7.604 1.00 0.00 H new ATOM 0 HA PHE A 53 45.445 -3.371 -9.190 1.00 0.00 H new ATOM 0 HB2 PHE A 53 43.480 -1.861 -8.752 1.00 0.00 H new ATOM 0 HB3 PHE A 53 44.345 -0.548 -9.525 1.00 0.00 H new ATOM 0 HD1 PHE A 53 43.403 -4.097 -10.302 1.00 0.00 H new ATOM 0 HD2 PHE A 53 43.791 -0.093 -11.702 1.00 0.00 H new ATOM 0 HE1 PHE A 53 42.481 -4.769 -12.476 1.00 0.00 H new ATOM 0 HE2 PHE A 53 42.863 -0.759 -13.873 1.00 0.00 H new ATOM 0 HZ PHE A 53 42.212 -3.103 -14.270 1.00 0.00 H new ATOM 799 N CYS A 54 47.201 -2.913 -10.799 1.00 0.00 N ATOM 800 CA CYS A 54 48.153 -2.696 -11.878 1.00 0.00 C ATOM 801 C CYS A 54 47.435 -2.760 -13.214 1.00 0.00 C ATOM 802 O CYS A 54 47.222 -3.847 -13.767 1.00 0.00 O ATOM 803 CB CYS A 54 49.271 -3.747 -11.842 1.00 0.00 C ATOM 804 SG CYS A 54 50.428 -3.667 -13.241 1.00 0.00 S ATOM 0 H CYS A 54 47.016 -3.895 -10.595 1.00 0.00 H new ATOM 0 HA CYS A 54 48.601 -1.711 -11.749 1.00 0.00 H new ATOM 0 HB2 CYS A 54 49.833 -3.629 -10.915 1.00 0.00 H new ATOM 0 HB3 CYS A 54 48.819 -4.739 -11.817 1.00 0.00 H new ATOM 0 HG CYS A 54 51.027 -4.813 -13.375 1.00 0.00 H new ATOM 809 N GLN A 55 47.031 -1.605 -13.721 1.00 0.00 N ATOM 810 CA GLN A 55 46.372 -1.554 -15.012 1.00 0.00 C ATOM 811 C GLN A 55 47.420 -1.642 -16.110 1.00 0.00 C ATOM 812 O GLN A 55 47.998 -0.637 -16.512 1.00 0.00 O ATOM 813 CB GLN A 55 45.553 -0.269 -15.145 1.00 0.00 C ATOM 814 CG GLN A 55 44.733 -0.196 -16.422 1.00 0.00 C ATOM 815 CD GLN A 55 43.812 1.008 -16.458 1.00 0.00 C ATOM 816 OE1 GLN A 55 42.743 0.965 -17.063 1.00 0.00 O ATOM 817 NE2 GLN A 55 44.218 2.092 -15.818 1.00 0.00 N ATOM 0 H GLN A 55 47.147 -0.701 -13.262 1.00 0.00 H new ATOM 0 HA GLN A 55 45.686 -2.396 -15.103 1.00 0.00 H new ATOM 0 HB2 GLN A 55 44.884 -0.185 -14.289 1.00 0.00 H new ATOM 0 HB3 GLN A 55 46.227 0.587 -15.107 1.00 0.00 H new ATOM 0 HG2 GLN A 55 45.405 -0.160 -17.279 1.00 0.00 H new ATOM 0 HG3 GLN A 55 44.140 -1.105 -16.521 1.00 0.00 H new ATOM 0 HE21 GLN A 55 45.112 2.089 -15.327 1.00 0.00 H new ATOM 0 HE22 GLN A 55 43.637 2.930 -15.816 1.00 0.00 H new ATOM 826 N HIS A 56 47.637 -2.864 -16.579 1.00 0.00 N ATOM 827 CA HIS A 56 48.667 -3.187 -17.569 1.00 0.00 C ATOM 828 C HIS A 56 48.573 -4.665 -17.920 1.00 0.00 C ATOM 829 O HIS A 56 49.568 -5.301 -18.261 1.00 0.00 O ATOM 830 CB HIS A 56 50.083 -2.887 -17.046 1.00 0.00 C ATOM 831 CG HIS A 56 50.563 -1.492 -17.317 1.00 0.00 C ATOM 832 ND1 HIS A 56 50.400 -0.863 -18.532 1.00 0.00 N ATOM 833 CD2 HIS A 56 51.192 -0.599 -16.517 1.00 0.00 C ATOM 834 CE1 HIS A 56 50.905 0.353 -18.467 1.00 0.00 C ATOM 835 NE2 HIS A 56 51.391 0.541 -17.256 1.00 0.00 N ATOM 0 H HIS A 56 47.095 -3.675 -16.280 1.00 0.00 H new ATOM 0 HA HIS A 56 48.493 -2.565 -18.447 1.00 0.00 H new ATOM 0 HB2 HIS A 56 50.104 -3.063 -15.970 1.00 0.00 H new ATOM 0 HB3 HIS A 56 50.781 -3.592 -17.498 1.00 0.00 H new ATOM 0 HD2 HIS A 56 51.483 -0.754 -15.489 1.00 0.00 H new ATOM 0 HE1 HIS A 56 50.918 1.074 -19.271 1.00 0.00 H new ATOM 0 HE2 HIS A 56 51.841 1.394 -16.923 1.00 0.00 H new ATOM 844 N GLY A 57 47.368 -5.207 -17.825 1.00 0.00 N ATOM 845 CA GLY A 57 47.173 -6.622 -18.071 1.00 0.00 C ATOM 846 C GLY A 57 47.599 -7.477 -16.892 1.00 0.00 C ATOM 847 O GLY A 57 47.828 -8.677 -17.035 1.00 0.00 O ATOM 0 H GLY A 57 46.521 -4.693 -17.582 1.00 0.00 H new ATOM 0 HA2 GLY A 57 46.122 -6.809 -18.291 1.00 0.00 H new ATOM 0 HA3 GLY A 57 47.740 -6.916 -18.954 1.00 0.00 H new ATOM 851 N HIS A 58 47.720 -6.858 -15.723 1.00 0.00 N ATOM 852 CA HIS A 58 48.085 -7.589 -14.513 1.00 0.00 C ATOM 853 C HIS A 58 46.890 -7.681 -13.576 1.00 0.00 C ATOM 854 O HIS A 58 46.467 -8.774 -13.205 1.00 0.00 O ATOM 855 CB HIS A 58 49.285 -6.939 -13.810 1.00 0.00 C ATOM 856 CG HIS A 58 50.566 -7.079 -14.581 1.00 0.00 C ATOM 857 ND1 HIS A 58 51.676 -6.259 -14.396 1.00 0.00 N ATOM 858 CD2 HIS A 58 50.905 -7.955 -15.561 1.00 0.00 C ATOM 859 CE1 HIS A 58 52.627 -6.643 -15.248 1.00 0.00 C ATOM 860 NE2 HIS A 58 52.182 -7.659 -15.950 1.00 0.00 N ATOM 0 H HIS A 58 47.572 -5.858 -15.587 1.00 0.00 H new ATOM 0 HA HIS A 58 48.382 -8.598 -14.799 1.00 0.00 H new ATOM 0 HB2 HIS A 58 49.077 -5.881 -13.652 1.00 0.00 H new ATOM 0 HB3 HIS A 58 49.409 -7.390 -12.825 1.00 0.00 H new ATOM 0 HD2 HIS A 58 50.281 -8.741 -15.960 1.00 0.00 H new ATOM 0 HE1 HIS A 58 53.604 -6.192 -15.345 1.00 0.00 H new ATOM 0 HE2 HIS A 58 52.707 -8.151 -16.673 1.00 0.00 H new ATOM 868 N GLY A 59 46.337 -6.534 -13.211 1.00 0.00 N ATOM 869 CA GLY A 59 45.142 -6.526 -12.395 1.00 0.00 C ATOM 870 C GLY A 59 45.440 -6.294 -10.931 1.00 0.00 C ATOM 871 O GLY A 59 46.329 -5.512 -10.588 1.00 0.00 O ATOM 0 H GLY A 59 46.693 -5.612 -13.464 1.00 0.00 H new ATOM 0 HA2 GLY A 59 44.467 -5.748 -12.753 1.00 0.00 H new ATOM 0 HA3 GLY A 59 44.621 -7.477 -12.510 1.00 0.00 H new ATOM 875 N LEU A 60 44.703 -6.983 -10.074 1.00 0.00 N ATOM 876 CA LEU A 60 44.835 -6.812 -8.634 1.00 0.00 C ATOM 877 C LEU A 60 46.118 -7.452 -8.119 1.00 0.00 C ATOM 878 O LEU A 60 46.323 -8.661 -8.254 1.00 0.00 O ATOM 879 CB LEU A 60 43.625 -7.412 -7.914 1.00 0.00 C ATOM 880 CG LEU A 60 42.284 -6.752 -8.240 1.00 0.00 C ATOM 881 CD1 LEU A 60 41.151 -7.465 -7.516 1.00 0.00 C ATOM 882 CD2 LEU A 60 42.312 -5.279 -7.865 1.00 0.00 C ATOM 0 H LEU A 60 44.003 -7.670 -10.352 1.00 0.00 H new ATOM 0 HA LEU A 60 44.880 -5.743 -8.426 1.00 0.00 H new ATOM 0 HB2 LEU A 60 43.561 -8.471 -8.164 1.00 0.00 H new ATOM 0 HB3 LEU A 60 43.792 -7.347 -6.839 1.00 0.00 H new ATOM 0 HG LEU A 60 42.111 -6.831 -9.313 1.00 0.00 H new ATOM 0 HD11 LEU A 60 40.204 -6.983 -7.759 1.00 0.00 H new ATOM 0 HD12 LEU A 60 41.118 -8.508 -7.830 1.00 0.00 H new ATOM 0 HD13 LEU A 60 41.318 -7.415 -6.440 1.00 0.00 H new ATOM 0 HD21 LEU A 60 41.350 -4.825 -8.103 1.00 0.00 H new ATOM 0 HD22 LEU A 60 42.506 -5.179 -6.797 1.00 0.00 H new ATOM 0 HD23 LEU A 60 43.100 -4.776 -8.425 1.00 0.00 H new ATOM 894 N ILE A 61 46.976 -6.634 -7.535 1.00 0.00 N ATOM 895 CA ILE A 61 48.214 -7.112 -6.950 1.00 0.00 C ATOM 896 C ILE A 61 48.005 -7.391 -5.466 1.00 0.00 C ATOM 897 O ILE A 61 47.345 -6.617 -4.772 1.00 0.00 O ATOM 898 CB ILE A 61 49.353 -6.079 -7.131 1.00 0.00 C ATOM 899 CG1 ILE A 61 49.548 -5.757 -8.617 1.00 0.00 C ATOM 900 CG2 ILE A 61 50.655 -6.584 -6.520 1.00 0.00 C ATOM 901 CD1 ILE A 61 49.931 -6.955 -9.463 1.00 0.00 C ATOM 0 H ILE A 61 46.835 -5.627 -7.454 1.00 0.00 H new ATOM 0 HA ILE A 61 48.502 -8.030 -7.462 1.00 0.00 H new ATOM 0 HB ILE A 61 49.068 -5.166 -6.608 1.00 0.00 H new ATOM 0 HG12 ILE A 61 48.626 -5.328 -9.009 1.00 0.00 H new ATOM 0 HG13 ILE A 61 50.321 -4.994 -8.715 1.00 0.00 H new ATOM 0 HG21 ILE A 61 51.437 -5.838 -6.662 1.00 0.00 H new ATOM 0 HG22 ILE A 61 50.512 -6.761 -5.454 1.00 0.00 H new ATOM 0 HG23 ILE A 61 50.948 -7.514 -7.006 1.00 0.00 H new ATOM 0 HD11 ILE A 61 50.050 -6.644 -10.501 1.00 0.00 H new ATOM 0 HD12 ILE A 61 50.870 -7.372 -9.099 1.00 0.00 H new ATOM 0 HD13 ILE A 61 49.149 -7.711 -9.398 1.00 0.00 H new ATOM 913 N SER A 62 48.535 -8.512 -4.996 1.00 0.00 N ATOM 914 CA SER A 62 48.436 -8.874 -3.590 1.00 0.00 C ATOM 915 C SER A 62 49.142 -7.836 -2.723 1.00 0.00 C ATOM 916 O SER A 62 50.211 -7.342 -3.081 1.00 0.00 O ATOM 917 CB SER A 62 49.042 -10.261 -3.357 1.00 0.00 C ATOM 918 OG SER A 62 48.933 -10.657 -1.999 1.00 0.00 O ATOM 0 H SER A 62 49.039 -9.188 -5.570 1.00 0.00 H new ATOM 0 HA SER A 62 47.383 -8.901 -3.311 1.00 0.00 H new ATOM 0 HB2 SER A 62 48.538 -10.990 -3.991 1.00 0.00 H new ATOM 0 HB3 SER A 62 50.091 -10.254 -3.652 1.00 0.00 H new ATOM 0 HG SER A 62 49.328 -11.547 -1.885 1.00 0.00 H new ATOM 924 N LYS A 63 48.546 -7.527 -1.577 1.00 0.00 N ATOM 925 CA LYS A 63 49.070 -6.508 -0.670 1.00 0.00 C ATOM 926 C LYS A 63 50.435 -6.917 -0.111 1.00 0.00 C ATOM 927 O LYS A 63 51.208 -6.079 0.355 1.00 0.00 O ATOM 928 CB LYS A 63 48.067 -6.275 0.466 1.00 0.00 C ATOM 929 CG LYS A 63 48.474 -5.189 1.446 1.00 0.00 C ATOM 930 CD LYS A 63 47.391 -4.936 2.479 1.00 0.00 C ATOM 931 CE LYS A 63 47.808 -3.868 3.475 1.00 0.00 C ATOM 932 NZ LYS A 63 48.960 -4.302 4.311 1.00 0.00 N ATOM 0 H LYS A 63 47.689 -7.973 -1.250 1.00 0.00 H new ATOM 0 HA LYS A 63 49.208 -5.580 -1.225 1.00 0.00 H new ATOM 0 HB2 LYS A 63 47.101 -6.015 0.034 1.00 0.00 H new ATOM 0 HB3 LYS A 63 47.931 -7.209 1.012 1.00 0.00 H new ATOM 0 HG2 LYS A 63 49.397 -5.479 1.949 1.00 0.00 H new ATOM 0 HG3 LYS A 63 48.682 -4.267 0.903 1.00 0.00 H new ATOM 0 HD2 LYS A 63 46.473 -4.628 1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 63 47.169 -5.862 3.009 1.00 0.00 H new ATOM 0 HE2 LYS A 63 48.073 -2.956 2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 63 46.964 -3.625 4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 49.093 -3.631 5.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 48.772 -5.250 4.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 49.821 -4.330 3.728 1.00 0.00 H new ATOM 946 N LYS A 64 50.727 -8.209 -0.176 1.00 0.00 N ATOM 947 CA LYS A 64 52.000 -8.736 0.303 1.00 0.00 C ATOM 948 C LYS A 64 53.036 -8.734 -0.811 1.00 0.00 C ATOM 949 O LYS A 64 54.225 -8.930 -0.568 1.00 0.00 O ATOM 950 CB LYS A 64 51.823 -10.164 0.813 1.00 0.00 C ATOM 951 CG LYS A 64 50.832 -10.300 1.954 1.00 0.00 C ATOM 952 CD LYS A 64 50.668 -11.752 2.374 1.00 0.00 C ATOM 953 CE LYS A 64 51.980 -12.352 2.861 1.00 0.00 C ATOM 954 NZ LYS A 64 52.507 -11.641 4.056 1.00 0.00 N ATOM 0 H LYS A 64 50.097 -8.915 -0.557 1.00 0.00 H new ATOM 0 HA LYS A 64 52.344 -8.096 1.115 1.00 0.00 H new ATOM 0 HB2 LYS A 64 51.497 -10.795 -0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 64 52.791 -10.543 1.141 1.00 0.00 H new ATOM 0 HG2 LYS A 64 51.171 -9.709 2.805 1.00 0.00 H new ATOM 0 HG3 LYS A 64 49.866 -9.896 1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 64 49.922 -11.819 3.166 1.00 0.00 H new ATOM 0 HD3 LYS A 64 50.293 -12.334 1.532 1.00 0.00 H new ATOM 0 HE2 LYS A 64 51.830 -13.404 3.102 1.00 0.00 H new ATOM 0 HE3 LYS A 64 52.718 -12.310 2.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 53.292 -12.186 4.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 52.848 -10.699 3.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 51.750 -11.540 4.762 1.00 0.00 H new ATOM 968 N ARG A 65 52.577 -8.502 -2.029 1.00 0.00 N ATOM 969 CA ARG A 65 53.426 -8.641 -3.199 1.00 0.00 C ATOM 970 C ARG A 65 53.657 -7.284 -3.857 1.00 0.00 C ATOM 971 O ARG A 65 54.102 -7.196 -4.998 1.00 0.00 O ATOM 972 CB ARG A 65 52.773 -9.621 -4.179 1.00 0.00 C ATOM 973 CG ARG A 65 53.710 -10.152 -5.246 1.00 0.00 C ATOM 974 CD ARG A 65 53.056 -11.264 -6.045 1.00 0.00 C ATOM 975 NE ARG A 65 53.970 -11.835 -7.025 1.00 0.00 N ATOM 976 CZ ARG A 65 54.021 -13.126 -7.335 1.00 0.00 C ATOM 977 NH1 ARG A 65 53.225 -14.000 -6.727 1.00 0.00 N ATOM 978 NH2 ARG A 65 54.882 -13.543 -8.250 1.00 0.00 N ATOM 0 H ARG A 65 51.619 -8.216 -2.233 1.00 0.00 H new ATOM 0 HA ARG A 65 54.398 -9.032 -2.899 1.00 0.00 H new ATOM 0 HB2 ARG A 65 52.367 -10.462 -3.617 1.00 0.00 H new ATOM 0 HB3 ARG A 65 51.932 -9.126 -4.664 1.00 0.00 H new ATOM 0 HG2 ARG A 65 54.000 -9.342 -5.915 1.00 0.00 H new ATOM 0 HG3 ARG A 65 54.623 -10.523 -4.780 1.00 0.00 H new ATOM 0 HD2 ARG A 65 52.715 -12.046 -5.367 1.00 0.00 H new ATOM 0 HD3 ARG A 65 52.174 -10.876 -6.554 1.00 0.00 H new ATOM 0 HE ARG A 65 54.612 -11.203 -7.504 1.00 0.00 H new ATOM 0 HH11 ARG A 65 52.567 -13.682 -6.015 1.00 0.00 H new ATOM 0 HH12 ARG A 65 53.272 -14.989 -6.972 1.00 0.00 H new ATOM 0 HH21 ARG A 65 55.500 -12.875 -8.711 1.00 0.00 H new ATOM 0 HH22 ARG A 65 54.928 -14.532 -8.494 1.00 0.00 H new ATOM 992 N VAL A 66 53.355 -6.225 -3.126 1.00 0.00 N ATOM 993 CA VAL A 66 53.551 -4.873 -3.628 1.00 0.00 C ATOM 994 C VAL A 66 55.010 -4.454 -3.464 1.00 0.00 C ATOM 995 O VAL A 66 55.662 -4.821 -2.484 1.00 0.00 O ATOM 996 CB VAL A 66 52.637 -3.865 -2.892 1.00 0.00 C ATOM 997 CG1 VAL A 66 52.830 -2.455 -3.425 1.00 0.00 C ATOM 998 CG2 VAL A 66 51.180 -4.282 -3.014 1.00 0.00 C ATOM 0 H VAL A 66 52.973 -6.274 -2.182 1.00 0.00 H new ATOM 0 HA VAL A 66 53.289 -4.870 -4.686 1.00 0.00 H new ATOM 0 HB VAL A 66 52.916 -3.867 -1.838 1.00 0.00 H new ATOM 0 HG11 VAL A 66 52.174 -1.770 -2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 66 53.867 -2.151 -3.283 1.00 0.00 H new ATOM 0 HG13 VAL A 66 52.588 -2.431 -4.487 1.00 0.00 H new ATOM 0 HG21 VAL A 66 50.551 -3.562 -2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 66 50.897 -4.314 -4.066 1.00 0.00 H new ATOM 0 HG23 VAL A 66 51.046 -5.270 -2.573 1.00 0.00 H new ATOM 1008 N GLU A 67 55.528 -3.711 -4.430 1.00 0.00 N ATOM 1009 CA GLU A 67 56.880 -3.193 -4.344 1.00 0.00 C ATOM 1010 C GLU A 67 56.871 -1.924 -3.503 1.00 0.00 C ATOM 1011 O GLU A 67 56.455 -0.864 -3.968 1.00 0.00 O ATOM 1012 CB GLU A 67 57.443 -2.910 -5.741 1.00 0.00 C ATOM 1013 CG GLU A 67 58.915 -2.526 -5.747 1.00 0.00 C ATOM 1014 CD GLU A 67 59.805 -3.633 -5.220 1.00 0.00 C ATOM 1015 OE1 GLU A 67 59.893 -3.794 -3.984 1.00 0.00 O ATOM 1016 OE2 GLU A 67 60.419 -4.349 -6.038 1.00 0.00 O ATOM 0 H GLU A 67 55.030 -3.454 -5.282 1.00 0.00 H new ATOM 0 HA GLU A 67 57.522 -3.937 -3.873 1.00 0.00 H new ATOM 0 HB2 GLU A 67 57.306 -3.794 -6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 67 56.866 -2.106 -6.198 1.00 0.00 H new ATOM 0 HG2 GLU A 67 59.217 -2.274 -6.763 1.00 0.00 H new ATOM 0 HG3 GLU A 67 59.056 -1.631 -5.141 1.00 0.00 H new ATOM 1023 N PHE A 68 57.295 -2.051 -2.256 1.00 0.00 N ATOM 1024 CA PHE A 68 57.258 -0.939 -1.323 1.00 0.00 C ATOM 1025 C PHE A 68 58.590 -0.206 -1.296 1.00 0.00 C ATOM 1026 O PHE A 68 59.564 -0.676 -0.700 1.00 0.00 O ATOM 1027 CB PHE A 68 56.906 -1.423 0.086 1.00 0.00 C ATOM 1028 CG PHE A 68 55.521 -1.991 0.212 1.00 0.00 C ATOM 1029 CD1 PHE A 68 54.412 -1.157 0.216 1.00 0.00 C ATOM 1030 CD2 PHE A 68 55.328 -3.355 0.335 1.00 0.00 C ATOM 1031 CE1 PHE A 68 53.138 -1.677 0.340 1.00 0.00 C ATOM 1032 CE2 PHE A 68 54.056 -3.881 0.461 1.00 0.00 C ATOM 1033 CZ PHE A 68 52.961 -3.041 0.462 1.00 0.00 C ATOM 0 H PHE A 68 57.670 -2.916 -1.867 1.00 0.00 H new ATOM 0 HA PHE A 68 56.486 -0.249 -1.663 1.00 0.00 H new ATOM 0 HB2 PHE A 68 57.627 -2.182 0.388 1.00 0.00 H new ATOM 0 HB3 PHE A 68 57.010 -0.590 0.781 1.00 0.00 H new ATOM 0 HD1 PHE A 68 54.546 -0.090 0.121 1.00 0.00 H new ATOM 0 HD2 PHE A 68 56.181 -4.017 0.333 1.00 0.00 H new ATOM 0 HE1 PHE A 68 52.282 -1.018 0.342 1.00 0.00 H new ATOM 0 HE2 PHE A 68 53.919 -4.948 0.559 1.00 0.00 H new ATOM 0 HZ PHE A 68 51.966 -3.450 0.558 1.00 0.00 H new ATOM 1043 N VAL A 69 58.635 0.938 -1.952 1.00 0.00 N ATOM 1044 CA VAL A 69 59.831 1.764 -1.942 1.00 0.00 C ATOM 1045 C VAL A 69 59.594 3.020 -1.118 1.00 0.00 C ATOM 1046 O VAL A 69 58.451 3.424 -0.904 1.00 0.00 O ATOM 1047 CB VAL A 69 60.282 2.158 -3.364 1.00 0.00 C ATOM 1048 CG1 VAL A 69 60.626 0.921 -4.180 1.00 0.00 C ATOM 1049 CG2 VAL A 69 59.214 2.983 -4.062 1.00 0.00 C ATOM 0 H VAL A 69 57.861 1.317 -2.497 1.00 0.00 H new ATOM 0 HA VAL A 69 60.627 1.169 -1.494 1.00 0.00 H new ATOM 0 HB VAL A 69 61.179 2.771 -3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 69 60.942 1.221 -5.179 1.00 0.00 H new ATOM 0 HG12 VAL A 69 61.434 0.377 -3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 69 59.749 0.278 -4.254 1.00 0.00 H new ATOM 0 HG21 VAL A 69 59.555 3.248 -5.063 1.00 0.00 H new ATOM 0 HG22 VAL A 69 58.295 2.402 -4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 69 59.025 3.892 -3.490 1.00 0.00 H new ATOM 1059 N LEU A 70 60.672 3.625 -0.647 1.00 0.00 N ATOM 1060 CA LEU A 70 60.573 4.847 0.138 1.00 0.00 C ATOM 1061 C LEU A 70 60.169 6.009 -0.757 1.00 0.00 C ATOM 1062 O LEU A 70 60.474 6.013 -1.951 1.00 0.00 O ATOM 1063 CB LEU A 70 61.903 5.170 0.838 1.00 0.00 C ATOM 1064 CG LEU A 70 62.341 4.201 1.948 1.00 0.00 C ATOM 1065 CD1 LEU A 70 61.202 3.945 2.924 1.00 0.00 C ATOM 1066 CD2 LEU A 70 62.863 2.895 1.365 1.00 0.00 C ATOM 0 H LEU A 70 61.625 3.292 -0.794 1.00 0.00 H new ATOM 0 HA LEU A 70 59.813 4.694 0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 70 62.688 5.202 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 70 61.831 6.170 1.266 1.00 0.00 H new ATOM 0 HG LEU A 70 63.158 4.669 2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 70 61.536 3.257 3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 70 60.896 4.886 3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 70 60.357 3.509 2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 70 63.165 2.230 2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 70 62.077 2.419 0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 70 63.721 3.100 0.724 1.00 0.00 H new ATOM 1078 N ALA A 71 59.467 6.978 -0.188 1.00 0.00 N ATOM 1079 CA ALA A 71 59.066 8.162 -0.931 1.00 0.00 C ATOM 1080 C ALA A 71 60.262 9.076 -1.161 1.00 0.00 C ATOM 1081 O ALA A 71 60.916 8.952 -2.215 1.00 0.00 O ATOM 1082 CB ALA A 71 57.955 8.898 -0.198 1.00 0.00 C ATOM 1083 OXT ALA A 71 60.568 9.896 -0.274 1.00 0.00 O ATOM 0 H ALA A 71 59.164 6.967 0.786 1.00 0.00 H new ATOM 0 HA ALA A 71 58.684 7.850 -1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 71 57.667 9.782 -0.767 1.00 0.00 H new ATOM 0 HB2 ALA A 71 57.093 8.240 -0.088 1.00 0.00 H new ATOM 0 HB3 ALA A 71 58.308 9.201 0.788 1.00 0.00 H new