USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 598 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 41 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 50 LYS NZ :NH3+ -145:sc= 1.04 (180deg=-0.0307) USER MOD Single : A 1 MET CE :methyl -166:sc= -0.217 (180deg=-0.674) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 150:sc= -0.109 (180deg=-0.712) USER MOD Single : A 6 LYS NZ :NH3+ 161:sc= -0.0905 (180deg=-0.545) USER MOD Single : A -1 HIS : no HD1:sc= -0.882 X(o=-0.88,f=-1.1) USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -1.91! C(o=-1.9!,f=-6.4!) USER MOD Single : A 25 ASN : amide:sc= -9.41! C(o=-9.4!,f=-19!) USER MOD Single : A 26 SER OG : rot -12:sc= 0.438 USER MOD Single : A 31 MET CE :methyl 173:sc= -2.11 (180deg=-2.27) USER MOD Single : A 36 ASN : amide:sc= -5.2! C(o=-5.2!,f=-1.8!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 43:sc= -1.05 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -110:sc= -0.942 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -1.43 X(o=-1.4,f=-1.6) USER MOD Single : A 59 THR OG1 : rot 29:sc= -0.858 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 55:sc= 1.13 USER MOD Single : A 77 ASN : amide:sc= -4.22 K(o=-4.2,f=-1.9) USER MOD Single : A 78 LYS NZ :NH3+ 166:sc= -0.0226 (180deg=-0.284) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -20.397 8.904 5.519 1.00 0.00 N ATOM 2 CA GLY A -3 -19.724 10.102 4.943 1.00 0.00 C ATOM 3 C GLY A -3 -19.145 9.836 3.567 1.00 0.00 C ATOM 4 O GLY A -3 -19.798 9.229 2.718 1.00 0.00 O ATOM 0 H1 GLY A -3 -20.776 9.137 6.459 1.00 0.00 H new ATOM 0 H2 GLY A -3 -21.175 8.610 4.895 1.00 0.00 H new ATOM 0 H3 GLY A -3 -19.710 8.128 5.605 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -20.439 10.922 4.881 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -18.927 10.425 5.613 1.00 0.00 H new ATOM 10 N SER A -2 -17.916 10.291 3.346 1.00 0.00 N ATOM 11 CA SER A -2 -17.249 10.099 2.063 1.00 0.00 C ATOM 12 C SER A -2 -17.078 8.615 1.756 1.00 0.00 C ATOM 13 O SER A -2 -16.647 7.840 2.610 1.00 0.00 O ATOM 14 CB SER A -2 -15.886 10.793 2.065 1.00 0.00 C ATOM 15 OG SER A -2 -16.022 12.186 2.288 1.00 0.00 O ATOM 0 H SER A -2 -17.362 10.795 4.038 1.00 0.00 H new ATOM 0 HA SER A -2 -17.873 10.542 1.287 1.00 0.00 H new ATOM 0 HB2 SER A -2 -15.254 10.358 2.839 1.00 0.00 H new ATOM 0 HB3 SER A -2 -15.386 10.621 1.112 1.00 0.00 H new ATOM 0 HG SER A -2 -15.136 12.606 2.286 1.00 0.00 H new ATOM 21 N HIS A -1 -17.415 8.227 0.530 1.00 0.00 N ATOM 22 CA HIS A -1 -17.297 6.837 0.108 1.00 0.00 C ATOM 23 C HIS A -1 -15.842 6.382 0.145 1.00 0.00 C ATOM 24 O HIS A -1 -15.550 5.227 0.458 1.00 0.00 O ATOM 25 CB HIS A -1 -17.874 6.657 -1.297 1.00 0.00 C ATOM 26 CG HIS A -1 -17.870 5.236 -1.770 1.00 0.00 C ATOM 27 ND1 HIS A -1 -18.457 4.207 -1.067 1.00 0.00 N ATOM 28 CD2 HIS A -1 -17.351 4.677 -2.890 1.00 0.00 C ATOM 29 CE1 HIS A -1 -18.301 3.075 -1.731 1.00 0.00 C ATOM 30 NE2 HIS A -1 -17.633 3.333 -2.840 1.00 0.00 N ATOM 0 H HIS A -1 -17.772 8.857 -0.189 1.00 0.00 H new ATOM 0 HA HIS A -1 -17.867 6.220 0.803 1.00 0.00 H new ATOM 0 HB2 HIS A -1 -18.897 7.033 -1.311 1.00 0.00 H new ATOM 0 HB3 HIS A -1 -17.301 7.266 -1.997 1.00 0.00 H new ATOM 0 HD2 HIS A -1 -16.816 5.191 -3.675 1.00 0.00 H new ATOM 0 HE1 HIS A -1 -18.659 2.105 -1.420 1.00 0.00 H new ATOM 0 HE2 HIS A -1 -17.369 2.646 -3.546 1.00 0.00 H new ATOM 39 N MET A 1 -14.933 7.301 -0.174 1.00 0.00 N ATOM 40 CA MET A 1 -13.495 7.017 -0.179 1.00 0.00 C ATOM 41 C MET A 1 -13.099 6.115 -1.348 1.00 0.00 C ATOM 42 O MET A 1 -12.210 6.457 -2.128 1.00 0.00 O ATOM 43 CB MET A 1 -13.067 6.372 1.143 1.00 0.00 C ATOM 44 CG MET A 1 -13.391 7.215 2.365 1.00 0.00 C ATOM 45 SD MET A 1 -12.573 8.822 2.337 1.00 0.00 S ATOM 46 CE MET A 1 -10.852 8.324 2.303 1.00 0.00 C ATOM 0 H MET A 1 -15.168 8.259 -0.435 1.00 0.00 H new ATOM 0 HA MET A 1 -12.979 7.970 -0.298 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.557 5.403 1.240 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.994 6.185 1.115 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.469 7.362 2.425 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.092 6.675 3.264 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.220 9.182 2.533 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.685 7.542 3.044 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.603 7.945 1.312 1.00 0.00 H new ATOM 56 N LYS A 2 -13.762 4.969 -1.473 1.00 0.00 N ATOM 57 CA LYS A 2 -13.470 4.037 -2.550 1.00 0.00 C ATOM 58 C LYS A 2 -13.933 4.606 -3.881 1.00 0.00 C ATOM 59 O LYS A 2 -14.692 5.573 -3.919 1.00 0.00 O ATOM 60 CB LYS A 2 -14.149 2.690 -2.293 1.00 0.00 C ATOM 61 CG LYS A 2 -13.736 2.044 -0.979 1.00 0.00 C ATOM 62 CD LYS A 2 -14.371 0.674 -0.798 1.00 0.00 C ATOM 63 CE LYS A 2 -13.874 -0.316 -1.841 1.00 0.00 C ATOM 64 NZ LYS A 2 -14.415 -1.683 -1.610 1.00 0.00 N ATOM 0 H LYS A 2 -14.503 4.666 -0.841 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.392 3.883 -2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -15.230 2.830 -2.296 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.914 2.011 -3.113 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.651 1.949 -0.946 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.024 2.690 -0.150 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.145 0.297 0.199 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -15.455 0.763 -0.867 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.164 0.026 -2.834 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.785 -0.348 -1.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.053 -2.328 -2.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.117 -2.021 -0.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.454 -1.657 -1.654 1.00 0.00 H new ATOM 78 N MET A 3 -13.476 4.009 -4.972 1.00 0.00 N ATOM 79 CA MET A 3 -13.860 4.475 -6.293 1.00 0.00 C ATOM 80 C MET A 3 -13.503 3.444 -7.363 1.00 0.00 C ATOM 81 O MET A 3 -13.013 3.790 -8.436 1.00 0.00 O ATOM 82 CB MET A 3 -13.182 5.814 -6.598 1.00 0.00 C ATOM 83 CG MET A 3 -13.680 6.479 -7.873 1.00 0.00 C ATOM 84 SD MET A 3 -15.457 6.788 -7.846 1.00 0.00 S ATOM 85 CE MET A 3 -15.591 7.860 -6.418 1.00 0.00 C ATOM 0 H MET A 3 -12.844 3.208 -4.968 1.00 0.00 H new ATOM 0 HA MET A 3 -14.941 4.614 -6.305 1.00 0.00 H new ATOM 0 HB2 MET A 3 -13.343 6.491 -5.759 1.00 0.00 H new ATOM 0 HB3 MET A 3 -12.106 5.656 -6.678 1.00 0.00 H new ATOM 0 HG2 MET A 3 -13.153 7.422 -8.016 1.00 0.00 H new ATOM 0 HG3 MET A 3 -13.438 5.846 -8.727 1.00 0.00 H new ATOM 0 HE1 MET A 3 -16.431 8.541 -6.552 1.00 0.00 H new ATOM 0 HE2 MET A 3 -15.752 7.257 -5.524 1.00 0.00 H new ATOM 0 HE3 MET A 3 -14.672 8.435 -6.307 1.00 0.00 H new ATOM 95 N GLY A 4 -13.757 2.173 -7.063 1.00 0.00 N ATOM 96 CA GLY A 4 -13.463 1.110 -8.010 1.00 0.00 C ATOM 97 C GLY A 4 -11.986 0.757 -8.091 1.00 0.00 C ATOM 98 O GLY A 4 -11.628 -0.420 -8.122 1.00 0.00 O ATOM 0 H GLY A 4 -14.161 1.860 -6.181 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.026 0.220 -7.730 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.811 1.409 -8.999 1.00 0.00 H new ATOM 102 N VAL A 5 -11.124 1.772 -8.137 1.00 0.00 N ATOM 103 CA VAL A 5 -9.685 1.550 -8.229 1.00 0.00 C ATOM 104 C VAL A 5 -9.141 0.825 -7.008 1.00 0.00 C ATOM 105 O VAL A 5 -7.974 0.492 -6.977 1.00 0.00 O ATOM 106 CB VAL A 5 -8.896 2.865 -8.412 1.00 0.00 C ATOM 107 CG1 VAL A 5 -8.656 3.547 -7.074 1.00 0.00 C ATOM 108 CG2 VAL A 5 -7.573 2.647 -9.125 1.00 0.00 C ATOM 0 H VAL A 5 -11.398 2.754 -8.112 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.546 0.927 -9.113 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.510 3.512 -9.038 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.099 4.470 -7.231 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.613 3.776 -6.606 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.084 2.884 -6.425 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.055 3.600 -9.230 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.956 1.961 -8.545 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.757 2.223 -10.112 1.00 0.00 H new ATOM 118 N LYS A 6 -9.957 0.596 -5.982 1.00 0.00 N ATOM 119 CA LYS A 6 -9.449 -0.073 -4.788 1.00 0.00 C ATOM 120 C LYS A 6 -8.603 -1.264 -5.215 1.00 0.00 C ATOM 121 O LYS A 6 -7.488 -1.453 -4.732 1.00 0.00 O ATOM 122 CB LYS A 6 -10.611 -0.523 -3.894 1.00 0.00 C ATOM 123 CG LYS A 6 -10.185 -1.176 -2.582 1.00 0.00 C ATOM 124 CD LYS A 6 -9.684 -2.599 -2.782 1.00 0.00 C ATOM 125 CE LYS A 6 -9.469 -3.302 -1.451 1.00 0.00 C ATOM 126 NZ LYS A 6 -10.727 -3.388 -0.658 1.00 0.00 N ATOM 0 H LYS A 6 -10.943 0.855 -5.951 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.834 0.618 -4.211 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.235 0.342 -3.669 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.230 -1.226 -4.451 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.400 -0.578 -2.119 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.028 -1.184 -1.892 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.403 -3.159 -3.379 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.749 -2.582 -3.342 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.083 -4.306 -1.629 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.713 -2.767 -0.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.631 -4.129 0.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.909 -2.474 -0.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.520 -3.621 -1.289 1.00 0.00 H new ATOM 140 N GLU A 7 -9.118 -2.028 -6.166 1.00 0.00 N ATOM 141 CA GLU A 7 -8.388 -3.165 -6.702 1.00 0.00 C ATOM 142 C GLU A 7 -7.301 -2.705 -7.678 1.00 0.00 C ATOM 143 O GLU A 7 -6.241 -3.323 -7.773 1.00 0.00 O ATOM 144 CB GLU A 7 -9.344 -4.135 -7.399 1.00 0.00 C ATOM 145 CG GLU A 7 -8.653 -5.354 -7.987 1.00 0.00 C ATOM 146 CD GLU A 7 -9.618 -6.299 -8.680 1.00 0.00 C ATOM 147 OE1 GLU A 7 -10.830 -5.998 -8.700 1.00 0.00 O ATOM 148 OE2 GLU A 7 -9.162 -7.338 -9.202 1.00 0.00 O ATOM 0 H GLU A 7 -10.038 -1.881 -6.582 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.908 -3.680 -5.870 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.098 -4.465 -6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.868 -3.606 -8.195 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.895 -5.028 -8.700 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.134 -5.890 -7.193 1.00 0.00 H new ATOM 155 N ASP A 8 -7.581 -1.629 -8.419 1.00 0.00 N ATOM 156 CA ASP A 8 -6.633 -1.104 -9.406 1.00 0.00 C ATOM 157 C ASP A 8 -5.339 -0.583 -8.766 1.00 0.00 C ATOM 158 O ASP A 8 -4.241 -0.987 -9.155 1.00 0.00 O ATOM 159 CB ASP A 8 -7.300 -0.029 -10.250 1.00 0.00 C ATOM 160 CG ASP A 8 -8.111 -0.612 -11.390 1.00 0.00 C ATOM 161 OD1 ASP A 8 -9.055 -1.380 -11.115 1.00 0.00 O ATOM 162 OD2 ASP A 8 -7.801 -0.300 -12.560 1.00 0.00 O ATOM 0 H ASP A 8 -8.454 -1.106 -8.355 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.341 -1.933 -10.051 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.950 0.575 -9.617 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.538 0.638 -10.653 1.00 0.00 H new ATOM 167 N ILE A 9 -5.468 0.287 -7.770 1.00 0.00 N ATOM 168 CA ILE A 9 -4.316 0.830 -7.067 1.00 0.00 C ATOM 169 C ILE A 9 -3.610 -0.281 -6.303 1.00 0.00 C ATOM 170 O ILE A 9 -2.400 -0.457 -6.431 1.00 0.00 O ATOM 171 CB ILE A 9 -4.720 1.968 -6.096 1.00 0.00 C ATOM 172 CG1 ILE A 9 -5.055 3.240 -6.878 1.00 0.00 C ATOM 173 CG2 ILE A 9 -3.611 2.244 -5.087 1.00 0.00 C ATOM 174 CD1 ILE A 9 -5.463 4.405 -5.999 1.00 0.00 C ATOM 0 H ILE A 9 -6.366 0.632 -7.431 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.639 1.254 -7.809 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.606 1.648 -5.548 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.188 3.530 -7.471 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.862 3.024 -7.578 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.920 3.047 -4.417 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.415 1.343 -4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.704 2.540 -5.615 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.685 5.271 -6.623 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.349 4.135 -5.425 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.649 4.649 -5.317 1.00 0.00 H new ATOM 186 N ARG A 10 -4.375 -1.051 -5.528 1.00 0.00 N ATOM 187 CA ARG A 10 -3.802 -2.161 -4.776 1.00 0.00 C ATOM 188 C ARG A 10 -3.096 -3.100 -5.735 1.00 0.00 C ATOM 189 O ARG A 10 -2.114 -3.745 -5.378 1.00 0.00 O ATOM 190 CB ARG A 10 -4.879 -2.924 -4.001 1.00 0.00 C ATOM 191 CG ARG A 10 -4.482 -3.246 -2.570 1.00 0.00 C ATOM 192 CD ARG A 10 -5.513 -4.122 -1.867 1.00 0.00 C ATOM 193 NE ARG A 10 -5.549 -5.483 -2.403 1.00 0.00 N ATOM 194 CZ ARG A 10 -6.218 -5.842 -3.497 1.00 0.00 C ATOM 195 NH1 ARG A 10 -6.987 -4.971 -4.135 1.00 0.00 N ATOM 196 NH2 ARG A 10 -6.139 -7.091 -3.937 1.00 0.00 N ATOM 0 H ARG A 10 -5.380 -0.927 -5.407 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.091 -1.760 -4.053 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.795 -2.334 -3.991 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.103 -3.853 -4.525 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.517 -3.752 -2.568 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.356 -2.318 -2.012 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.287 -4.160 -0.801 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.499 -3.669 -1.967 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.027 -6.205 -1.906 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.071 -4.015 -3.789 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.495 -5.257 -4.972 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.567 -7.772 -3.438 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.650 -7.370 -4.775 1.00 0.00 H new ATOM 210 N GLY A 11 -3.587 -3.146 -6.971 1.00 0.00 N ATOM 211 CA GLY A 11 -2.956 -3.985 -7.968 1.00 0.00 C ATOM 212 C GLY A 11 -1.551 -3.501 -8.215 1.00 0.00 C ATOM 213 O GLY A 11 -0.604 -4.286 -8.308 1.00 0.00 O ATOM 0 H GLY A 11 -4.401 -2.623 -7.295 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.941 -5.021 -7.630 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.529 -3.960 -8.895 1.00 0.00 H new ATOM 217 N GLN A 12 -1.428 -2.181 -8.280 1.00 0.00 N ATOM 218 CA GLN A 12 -0.149 -1.528 -8.472 1.00 0.00 C ATOM 219 C GLN A 12 0.714 -1.684 -7.225 1.00 0.00 C ATOM 220 O GLN A 12 1.938 -1.748 -7.310 1.00 0.00 O ATOM 221 CB GLN A 12 -0.365 -0.042 -8.767 1.00 0.00 C ATOM 222 CG GLN A 12 -1.215 0.222 -9.999 1.00 0.00 C ATOM 223 CD GLN A 12 -1.526 1.693 -10.192 1.00 0.00 C ATOM 224 OE1 GLN A 12 -2.198 2.311 -9.367 1.00 0.00 O ATOM 225 NE2 GLN A 12 -1.038 2.263 -11.288 1.00 0.00 N ATOM 0 H GLN A 12 -2.215 -1.537 -8.201 1.00 0.00 H new ATOM 0 HA GLN A 12 0.361 -1.993 -9.316 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.839 0.425 -7.904 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.605 0.438 -8.897 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.696 -0.154 -10.881 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.149 -0.335 -9.917 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.485 1.713 -11.946 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.216 3.250 -11.472 1.00 0.00 H new ATOM 234 N ILE A 13 0.057 -1.731 -6.063 1.00 0.00 N ATOM 235 CA ILE A 13 0.749 -1.864 -4.783 1.00 0.00 C ATOM 236 C ILE A 13 1.342 -3.257 -4.609 1.00 0.00 C ATOM 237 O ILE A 13 2.495 -3.399 -4.216 1.00 0.00 O ATOM 238 CB ILE A 13 -0.195 -1.557 -3.602 1.00 0.00 C ATOM 239 CG1 ILE A 13 -0.728 -0.126 -3.704 1.00 0.00 C ATOM 240 CG2 ILE A 13 0.518 -1.766 -2.271 1.00 0.00 C ATOM 241 CD1 ILE A 13 -1.681 0.246 -2.588 1.00 0.00 C ATOM 0 H ILE A 13 -0.959 -1.678 -5.985 1.00 0.00 H new ATOM 0 HA ILE A 13 1.561 -1.137 -4.787 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.038 -2.247 -3.649 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.113 0.567 -3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.236 -0.004 -4.661 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.167 -1.544 -1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.850 -2.801 -2.195 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.381 -1.103 -2.212 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.018 1.273 -2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.541 -0.424 -2.606 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.171 0.156 -1.629 1.00 0.00 H new ATOM 253 N ILE A 14 0.551 -4.282 -4.903 1.00 0.00 N ATOM 254 CA ILE A 14 1.014 -5.658 -4.778 1.00 0.00 C ATOM 255 C ILE A 14 2.240 -5.889 -5.658 1.00 0.00 C ATOM 256 O ILE A 14 3.280 -6.348 -5.181 1.00 0.00 O ATOM 257 CB ILE A 14 -0.110 -6.659 -5.136 1.00 0.00 C ATOM 258 CG1 ILE A 14 -1.029 -6.871 -3.931 1.00 0.00 C ATOM 259 CG2 ILE A 14 0.461 -7.991 -5.610 1.00 0.00 C ATOM 260 CD1 ILE A 14 -0.312 -7.429 -2.722 1.00 0.00 C ATOM 0 H ILE A 14 -0.411 -4.187 -5.229 1.00 0.00 H new ATOM 0 HA ILE A 14 1.295 -5.828 -3.739 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.690 -6.236 -5.956 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.491 -5.921 -3.664 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.834 -7.549 -4.212 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.355 -8.671 -5.853 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.075 -7.829 -6.496 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.073 -8.426 -4.820 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.022 -7.555 -1.904 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.127 -8.394 -2.973 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.476 -6.740 -2.416 1.00 0.00 H new ATOM 272 N GLY A 15 2.124 -5.545 -6.936 1.00 0.00 N ATOM 273 CA GLY A 15 3.247 -5.703 -7.839 1.00 0.00 C ATOM 274 C GLY A 15 4.404 -4.815 -7.431 1.00 0.00 C ATOM 275 O GLY A 15 5.570 -5.192 -7.549 1.00 0.00 O ATOM 0 H GLY A 15 1.279 -5.162 -7.360 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.569 -6.744 -7.846 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.938 -5.459 -8.855 1.00 0.00 H new ATOM 279 N ALA A 16 4.063 -3.628 -6.942 1.00 0.00 N ATOM 280 CA ALA A 16 5.048 -2.652 -6.495 1.00 0.00 C ATOM 281 C ALA A 16 5.792 -3.135 -5.250 1.00 0.00 C ATOM 282 O ALA A 16 6.917 -2.719 -4.986 1.00 0.00 O ATOM 283 CB ALA A 16 4.361 -1.321 -6.223 1.00 0.00 C ATOM 0 H ALA A 16 3.097 -3.316 -6.845 1.00 0.00 H new ATOM 0 HA ALA A 16 5.787 -2.523 -7.286 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.099 -0.592 -5.889 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.886 -0.963 -7.136 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.605 -1.453 -5.449 1.00 0.00 H new ATOM 289 N LEU A 17 5.152 -4.015 -4.489 1.00 0.00 N ATOM 290 CA LEU A 17 5.738 -4.559 -3.274 1.00 0.00 C ATOM 291 C LEU A 17 6.675 -5.710 -3.602 1.00 0.00 C ATOM 292 O LEU A 17 7.646 -5.960 -2.889 1.00 0.00 O ATOM 293 CB LEU A 17 4.632 -5.028 -2.326 1.00 0.00 C ATOM 294 CG LEU A 17 3.885 -3.908 -1.591 1.00 0.00 C ATOM 295 CD1 LEU A 17 2.596 -4.434 -0.976 1.00 0.00 C ATOM 296 CD2 LEU A 17 4.773 -3.291 -0.516 1.00 0.00 C ATOM 0 H LEU A 17 4.218 -4.369 -4.697 1.00 0.00 H new ATOM 0 HA LEU A 17 6.316 -3.776 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.909 -5.612 -2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.070 -5.698 -1.586 1.00 0.00 H new ATOM 0 HG LEU A 17 3.629 -3.135 -2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.082 -3.623 -0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.953 -4.829 -1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.829 -5.227 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.227 -2.498 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.059 -4.058 0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.668 -2.875 -0.978 1.00 0.00 H new ATOM 308 N ALA A 18 6.375 -6.402 -4.692 1.00 0.00 N ATOM 309 CA ALA A 18 7.190 -7.531 -5.127 1.00 0.00 C ATOM 310 C ALA A 18 8.641 -7.105 -5.337 1.00 0.00 C ATOM 311 O ALA A 18 8.911 -6.083 -5.970 1.00 0.00 O ATOM 312 CB ALA A 18 6.624 -8.132 -6.403 1.00 0.00 C ATOM 0 H ALA A 18 5.574 -6.203 -5.292 1.00 0.00 H new ATOM 0 HA ALA A 18 7.168 -8.289 -4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.243 -8.973 -6.715 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.606 -8.478 -6.222 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.616 -7.377 -7.189 1.00 0.00 H new ATOM 318 N GLY A 19 9.572 -7.890 -4.801 1.00 0.00 N ATOM 319 CA GLY A 19 10.981 -7.569 -4.942 1.00 0.00 C ATOM 320 C GLY A 19 11.644 -7.251 -3.615 1.00 0.00 C ATOM 321 O GLY A 19 12.821 -7.554 -3.414 1.00 0.00 O ATOM 0 H GLY A 19 9.376 -8.740 -4.273 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.496 -8.409 -5.409 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.090 -6.716 -5.612 1.00 0.00 H new ATOM 325 N ALA A 20 10.890 -6.635 -2.709 1.00 0.00 N ATOM 326 CA ALA A 20 11.408 -6.267 -1.392 1.00 0.00 C ATOM 327 C ALA A 20 12.073 -7.450 -0.708 1.00 0.00 C ATOM 328 O ALA A 20 12.113 -8.552 -1.253 1.00 0.00 O ATOM 329 CB ALA A 20 10.278 -5.746 -0.517 1.00 0.00 C ATOM 0 H ALA A 20 9.915 -6.379 -2.862 1.00 0.00 H new ATOM 0 HA ALA A 20 12.156 -5.487 -1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.672 -5.474 0.462 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.831 -4.869 -0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.521 -6.521 -0.401 1.00 0.00 H new ATOM 335 N ASP A 21 12.560 -7.218 0.509 1.00 0.00 N ATOM 336 CA ASP A 21 13.181 -8.271 1.300 1.00 0.00 C ATOM 337 C ASP A 21 12.149 -9.380 1.497 1.00 0.00 C ATOM 338 O ASP A 21 11.636 -9.915 0.514 1.00 0.00 O ATOM 339 CB ASP A 21 13.660 -7.689 2.633 1.00 0.00 C ATOM 340 CG ASP A 21 14.903 -6.833 2.479 1.00 0.00 C ATOM 341 OD1 ASP A 21 15.391 -6.693 1.337 1.00 0.00 O ATOM 342 OD2 ASP A 21 15.388 -6.302 3.500 1.00 0.00 O ATOM 0 H ASP A 21 12.535 -6.307 0.967 1.00 0.00 H new ATOM 0 HA ASP A 21 14.053 -8.688 0.796 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.862 -7.090 3.072 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.867 -8.503 3.328 1.00 0.00 H new ATOM 347 N PHE A 22 11.774 -9.700 2.734 1.00 0.00 N ATOM 348 CA PHE A 22 10.734 -10.696 2.927 1.00 0.00 C ATOM 349 C PHE A 22 9.486 -10.145 2.257 1.00 0.00 C ATOM 350 O PHE A 22 9.526 -9.038 1.721 1.00 0.00 O ATOM 351 CB PHE A 22 10.508 -11.007 4.427 1.00 0.00 C ATOM 352 CG PHE A 22 9.691 -9.992 5.204 1.00 0.00 C ATOM 353 CD1 PHE A 22 8.465 -9.567 4.719 1.00 0.00 C ATOM 354 CD2 PHE A 22 10.141 -9.462 6.407 1.00 0.00 C ATOM 355 CE1 PHE A 22 7.713 -8.642 5.416 1.00 0.00 C ATOM 356 CE2 PHE A 22 9.397 -8.541 7.106 1.00 0.00 C ATOM 357 CZ PHE A 22 8.209 -8.134 6.643 1.00 0.00 C ATOM 0 H PHE A 22 12.161 -9.298 3.588 1.00 0.00 H new ATOM 0 HA PHE A 22 11.017 -11.650 2.482 1.00 0.00 H new ATOM 0 HB2 PHE A 22 10.016 -11.976 4.506 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.482 -11.104 4.908 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.093 -9.963 3.786 1.00 0.00 H new ATOM 0 HD2 PHE A 22 11.095 -9.780 6.801 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.760 -8.310 5.032 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.774 -8.143 8.036 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.628 -7.418 7.205 1.00 0.00 H new ATOM 367 N PRO A 23 8.360 -10.859 2.260 1.00 0.00 N ATOM 368 CA PRO A 23 7.151 -10.342 1.632 1.00 0.00 C ATOM 369 C PRO A 23 6.609 -9.096 2.349 1.00 0.00 C ATOM 370 O PRO A 23 5.509 -9.135 2.896 1.00 0.00 O ATOM 371 CB PRO A 23 6.170 -11.511 1.726 1.00 0.00 C ATOM 372 CG PRO A 23 6.652 -12.314 2.882 1.00 0.00 C ATOM 373 CD PRO A 23 8.151 -12.187 2.865 1.00 0.00 C ATOM 0 HA PRO A 23 7.327 -10.013 0.608 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.150 -11.161 1.885 1.00 0.00 H new ATOM 0 HB3 PRO A 23 6.166 -12.100 0.809 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.238 -11.941 3.819 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.346 -13.356 2.791 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.573 -12.245 3.868 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.617 -12.977 2.277 1.00 0.00 H new ATOM 381 N ILE A 24 7.391 -7.988 2.313 1.00 0.00 N ATOM 382 CA ILE A 24 7.007 -6.689 2.914 1.00 0.00 C ATOM 383 C ILE A 24 7.773 -6.313 4.195 1.00 0.00 C ATOM 384 O ILE A 24 7.169 -6.112 5.250 1.00 0.00 O ATOM 385 CB ILE A 24 5.495 -6.612 3.185 1.00 0.00 C ATOM 386 CG1 ILE A 24 4.734 -6.806 1.875 1.00 0.00 C ATOM 387 CG2 ILE A 24 5.128 -5.285 3.830 1.00 0.00 C ATOM 388 CD1 ILE A 24 5.225 -5.902 0.775 1.00 0.00 C ATOM 0 H ILE A 24 8.307 -7.972 1.865 1.00 0.00 H new ATOM 0 HA ILE A 24 7.291 -5.958 2.157 1.00 0.00 H new ATOM 0 HB ILE A 24 5.218 -7.405 3.880 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.829 -7.844 1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.674 -6.620 2.045 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.054 -5.254 4.012 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.660 -5.181 4.776 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.407 -4.468 3.165 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.647 -6.085 -0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.105 -4.862 1.078 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.278 -6.104 0.581 1.00 0.00 H new ATOM 400 N ASN A 25 9.091 -6.183 4.089 1.00 0.00 N ATOM 401 CA ASN A 25 9.933 -5.796 5.232 1.00 0.00 C ATOM 402 C ASN A 25 9.595 -4.405 5.749 1.00 0.00 C ATOM 403 O ASN A 25 10.416 -3.493 5.654 1.00 0.00 O ATOM 404 CB ASN A 25 11.395 -5.809 4.824 1.00 0.00 C ATOM 405 CG ASN A 25 12.065 -7.134 5.102 1.00 0.00 C ATOM 406 OD1 ASN A 25 11.645 -8.173 4.605 1.00 0.00 O ATOM 407 ND2 ASN A 25 13.119 -7.094 5.907 1.00 0.00 N ATOM 0 H ASN A 25 9.607 -6.339 3.223 1.00 0.00 H new ATOM 0 HA ASN A 25 9.743 -6.518 6.026 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.473 -5.583 3.761 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.924 -5.020 5.358 1.00 0.00 H new ATOM 0 HD21 ASN A 25 13.618 -7.953 6.137 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.430 -6.204 6.296 1.00 0.00 H new ATOM 414 N SER A 26 8.396 -4.228 6.286 1.00 0.00 N ATOM 415 CA SER A 26 7.995 -2.925 6.789 1.00 0.00 C ATOM 416 C SER A 26 8.082 -1.910 5.659 1.00 0.00 C ATOM 417 O SER A 26 8.847 -2.089 4.712 1.00 0.00 O ATOM 418 CB SER A 26 8.886 -2.485 7.954 1.00 0.00 C ATOM 419 OG SER A 26 10.172 -2.096 7.505 1.00 0.00 O ATOM 0 H SER A 26 7.693 -4.961 6.383 1.00 0.00 H new ATOM 0 HA SER A 26 6.971 -2.990 7.156 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.416 -1.654 8.479 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.981 -3.302 8.670 1.00 0.00 H new ATOM 0 HG SER A 26 10.291 -2.373 6.572 1.00 0.00 H new ATOM 425 N PRO A 27 7.296 -0.841 5.714 1.00 0.00 N ATOM 426 CA PRO A 27 7.310 0.161 4.663 1.00 0.00 C ATOM 427 C PRO A 27 8.714 0.600 4.294 1.00 0.00 C ATOM 428 O PRO A 27 8.981 0.907 3.146 1.00 0.00 O ATOM 429 CB PRO A 27 6.495 1.313 5.247 1.00 0.00 C ATOM 430 CG PRO A 27 5.583 0.665 6.235 1.00 0.00 C ATOM 431 CD PRO A 27 6.325 -0.530 6.775 1.00 0.00 C ATOM 0 HA PRO A 27 6.896 -0.222 3.730 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.138 2.051 5.726 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.934 1.835 4.472 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.324 1.357 7.037 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.649 0.362 5.761 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.821 -0.302 7.718 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.654 -1.368 6.963 1.00 0.00 H new ATOM 439 N GLU A 28 9.619 0.612 5.254 1.00 0.00 N ATOM 440 CA GLU A 28 10.992 1.007 4.972 1.00 0.00 C ATOM 441 C GLU A 28 11.554 0.195 3.803 1.00 0.00 C ATOM 442 O GLU A 28 11.993 0.744 2.788 1.00 0.00 O ATOM 443 CB GLU A 28 11.862 0.791 6.212 1.00 0.00 C ATOM 444 CG GLU A 28 11.329 1.480 7.460 1.00 0.00 C ATOM 445 CD GLU A 28 11.261 2.989 7.314 1.00 0.00 C ATOM 446 OE1 GLU A 28 11.649 3.499 6.242 1.00 0.00 O ATOM 447 OE2 GLU A 28 10.816 3.660 8.269 1.00 0.00 O ATOM 0 H GLU A 28 9.436 0.357 6.224 1.00 0.00 H new ATOM 0 HA GLU A 28 11.000 2.063 4.703 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.945 -0.279 6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.868 1.157 6.007 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.334 1.096 7.685 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.966 1.230 8.308 1.00 0.00 H new ATOM 454 N GLU A 29 11.539 -1.121 3.961 1.00 0.00 N ATOM 455 CA GLU A 29 12.055 -2.025 2.950 1.00 0.00 C ATOM 456 C GLU A 29 11.130 -2.177 1.756 1.00 0.00 C ATOM 457 O GLU A 29 11.534 -1.936 0.626 1.00 0.00 O ATOM 458 CB GLU A 29 12.228 -3.374 3.563 1.00 0.00 C ATOM 459 CG GLU A 29 12.991 -4.333 2.672 1.00 0.00 C ATOM 460 CD GLU A 29 14.364 -3.811 2.295 1.00 0.00 C ATOM 461 OE1 GLU A 29 15.180 -3.570 3.210 1.00 0.00 O ATOM 462 OE2 GLU A 29 14.622 -3.642 1.085 1.00 0.00 O ATOM 0 H GLU A 29 11.170 -1.587 4.790 1.00 0.00 H new ATOM 0 HA GLU A 29 12.995 -1.603 2.595 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.754 -3.271 4.512 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.247 -3.795 3.786 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.098 -5.290 3.182 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.415 -4.517 1.765 1.00 0.00 H new ATOM 469 N LEU A 30 9.892 -2.606 2.002 1.00 0.00 N ATOM 470 CA LEU A 30 8.937 -2.805 0.919 1.00 0.00 C ATOM 471 C LEU A 30 8.897 -1.554 0.044 1.00 0.00 C ATOM 472 O LEU A 30 8.903 -1.638 -1.187 1.00 0.00 O ATOM 473 CB LEU A 30 7.550 -3.119 1.494 1.00 0.00 C ATOM 474 CG LEU A 30 6.833 -1.928 2.128 1.00 0.00 C ATOM 475 CD1 LEU A 30 6.110 -1.107 1.072 1.00 0.00 C ATOM 476 CD2 LEU A 30 5.861 -2.386 3.201 1.00 0.00 C ATOM 0 H LEU A 30 9.532 -2.820 2.932 1.00 0.00 H new ATOM 0 HA LEU A 30 9.247 -3.651 0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.924 -3.519 0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.652 -3.904 2.243 1.00 0.00 H new ATOM 0 HG LEU A 30 7.587 -1.297 2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.607 -0.265 1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.831 -0.735 0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.373 -1.732 0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.364 -1.519 3.636 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.116 -3.047 2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.404 -2.921 3.980 1.00 0.00 H new ATOM 488 N MET A 31 8.917 -0.393 0.695 1.00 0.00 N ATOM 489 CA MET A 31 8.942 0.880 -0.012 1.00 0.00 C ATOM 490 C MET A 31 10.248 0.980 -0.785 1.00 0.00 C ATOM 491 O MET A 31 10.297 1.563 -1.868 1.00 0.00 O ATOM 492 CB MET A 31 8.826 2.049 0.973 1.00 0.00 C ATOM 493 CG MET A 31 8.693 3.417 0.329 1.00 0.00 C ATOM 494 SD MET A 31 8.883 4.759 1.520 1.00 0.00 S ATOM 495 CE MET A 31 7.649 4.312 2.740 1.00 0.00 C ATOM 0 H MET A 31 8.916 -0.310 1.712 1.00 0.00 H new ATOM 0 HA MET A 31 8.096 0.931 -0.697 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.961 1.880 1.615 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.705 2.051 1.617 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.444 3.521 -0.455 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.718 3.496 -0.151 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.730 4.976 3.600 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.655 4.405 2.303 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.810 3.283 3.060 1.00 0.00 H new ATOM 505 N ALA A 32 11.311 0.391 -0.224 1.00 0.00 N ATOM 506 CA ALA A 32 12.611 0.409 -0.885 1.00 0.00 C ATOM 507 C ALA A 32 12.624 -0.534 -2.088 1.00 0.00 C ATOM 508 O ALA A 32 13.442 -0.389 -2.997 1.00 0.00 O ATOM 509 CB ALA A 32 13.709 0.029 0.098 1.00 0.00 C ATOM 0 H ALA A 32 11.293 -0.096 0.672 1.00 0.00 H new ATOM 0 HA ALA A 32 12.797 1.421 -1.244 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.674 0.047 -0.409 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.720 0.740 0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.521 -0.973 0.485 1.00 0.00 H new ATOM 515 N ALA A 33 11.729 -1.518 -2.066 1.00 0.00 N ATOM 516 CA ALA A 33 11.638 -2.514 -3.123 1.00 0.00 C ATOM 517 C ALA A 33 11.061 -1.970 -4.417 1.00 0.00 C ATOM 518 O ALA A 33 11.610 -2.207 -5.493 1.00 0.00 O ATOM 519 CB ALA A 33 10.776 -3.663 -2.653 1.00 0.00 C ATOM 0 H ALA A 33 11.049 -1.645 -1.316 1.00 0.00 H new ATOM 0 HA ALA A 33 12.657 -2.838 -3.335 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.705 -4.411 -3.442 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.221 -4.113 -1.765 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.779 -3.295 -2.412 1.00 0.00 H new ATOM 525 N LEU A 34 9.924 -1.284 -4.310 1.00 0.00 N ATOM 526 CA LEU A 34 9.225 -0.744 -5.479 1.00 0.00 C ATOM 527 C LEU A 34 10.165 -0.501 -6.669 1.00 0.00 C ATOM 528 O LEU A 34 11.271 0.016 -6.511 1.00 0.00 O ATOM 529 CB LEU A 34 8.454 0.528 -5.116 1.00 0.00 C ATOM 530 CG LEU A 34 7.166 0.282 -4.322 1.00 0.00 C ATOM 531 CD1 LEU A 34 7.476 -0.100 -2.885 1.00 0.00 C ATOM 532 CD2 LEU A 34 6.255 1.496 -4.365 1.00 0.00 C ATOM 0 H LEU A 34 9.464 -1.087 -3.421 1.00 0.00 H new ATOM 0 HA LEU A 34 8.509 -1.502 -5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.106 1.180 -4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.205 1.062 -6.033 1.00 0.00 H new ATOM 0 HG LEU A 34 6.644 -0.551 -4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.545 -0.269 -2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.074 -1.011 -2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.032 0.706 -2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.350 1.292 -3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.771 2.354 -3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.989 1.715 -5.399 1.00 0.00 H new ATOM 544 N PRO A 35 9.727 -0.909 -7.878 1.00 0.00 N ATOM 545 CA PRO A 35 10.508 -0.785 -9.119 1.00 0.00 C ATOM 546 C PRO A 35 11.129 0.594 -9.315 1.00 0.00 C ATOM 547 O PRO A 35 12.227 0.719 -9.857 1.00 0.00 O ATOM 548 CB PRO A 35 9.474 -1.065 -10.229 1.00 0.00 C ATOM 549 CG PRO A 35 8.145 -1.147 -9.543 1.00 0.00 C ATOM 550 CD PRO A 35 8.435 -1.556 -8.135 1.00 0.00 C ATOM 0 HA PRO A 35 11.357 -1.468 -9.114 1.00 0.00 H new ATOM 0 HB2 PRO A 35 9.479 -0.272 -10.976 1.00 0.00 H new ATOM 0 HB3 PRO A 35 9.703 -1.995 -10.750 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.630 -0.187 -9.573 1.00 0.00 H new ATOM 0 HG3 PRO A 35 7.496 -1.872 -10.034 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.664 -1.212 -7.445 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.495 -2.639 -8.031 1.00 0.00 H new ATOM 558 N ASN A 36 10.419 1.623 -8.887 1.00 0.00 N ATOM 559 CA ASN A 36 10.890 2.996 -9.027 1.00 0.00 C ATOM 560 C ASN A 36 12.040 3.303 -8.066 1.00 0.00 C ATOM 561 O ASN A 36 12.854 4.188 -8.326 1.00 0.00 O ATOM 562 CB ASN A 36 9.715 3.946 -8.790 1.00 0.00 C ATOM 563 CG ASN A 36 10.127 5.365 -8.461 1.00 0.00 C ATOM 564 OD1 ASN A 36 10.805 6.032 -9.243 1.00 0.00 O ATOM 565 ND2 ASN A 36 9.709 5.825 -7.289 1.00 0.00 N ATOM 0 H ASN A 36 9.508 1.536 -8.436 1.00 0.00 H new ATOM 0 HA ASN A 36 11.280 3.133 -10.036 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.086 3.958 -9.680 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.106 3.557 -7.974 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.947 6.773 -6.999 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.149 5.230 -6.678 1.00 0.00 H new ATOM 572 N GLY A 37 12.098 2.575 -6.957 1.00 0.00 N ATOM 573 CA GLY A 37 13.147 2.800 -5.975 1.00 0.00 C ATOM 574 C GLY A 37 12.615 3.500 -4.740 1.00 0.00 C ATOM 575 O GLY A 37 12.398 2.860 -3.711 1.00 0.00 O ATOM 0 H GLY A 37 11.439 1.834 -6.719 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.590 1.846 -5.690 1.00 0.00 H new ATOM 0 HA3 GLY A 37 13.941 3.400 -6.420 1.00 0.00 H new ATOM 579 N PRO A 38 12.367 4.821 -4.812 1.00 0.00 N ATOM 580 CA PRO A 38 11.826 5.582 -3.689 1.00 0.00 C ATOM 581 C PRO A 38 10.309 5.444 -3.600 1.00 0.00 C ATOM 582 O PRO A 38 9.603 6.392 -3.256 1.00 0.00 O ATOM 583 CB PRO A 38 12.218 7.015 -4.034 1.00 0.00 C ATOM 584 CG PRO A 38 12.184 7.057 -5.523 1.00 0.00 C ATOM 585 CD PRO A 38 12.569 5.674 -5.999 1.00 0.00 C ATOM 0 HA PRO A 38 12.204 5.244 -2.724 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.523 7.733 -3.600 1.00 0.00 H new ATOM 0 HB3 PRO A 38 13.209 7.259 -3.652 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.191 7.328 -5.881 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.877 7.806 -5.906 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.947 5.351 -6.834 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.603 5.643 -6.342 1.00 0.00 H new ATOM 593 N ASP A 39 9.821 4.249 -3.919 1.00 0.00 N ATOM 594 CA ASP A 39 8.400 3.949 -3.892 1.00 0.00 C ATOM 595 C ASP A 39 7.630 4.719 -4.953 1.00 0.00 C ATOM 596 O ASP A 39 7.310 5.897 -4.790 1.00 0.00 O ATOM 597 CB ASP A 39 7.826 4.195 -2.493 1.00 0.00 C ATOM 598 CG ASP A 39 6.308 4.197 -2.450 1.00 0.00 C ATOM 599 OD1 ASP A 39 5.694 5.045 -3.127 1.00 0.00 O ATOM 600 OD2 ASP A 39 5.734 3.347 -1.737 1.00 0.00 O ATOM 0 H ASP A 39 10.404 3.462 -4.204 1.00 0.00 H new ATOM 0 HA ASP A 39 8.282 2.892 -4.130 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.199 3.427 -1.816 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.193 5.152 -2.122 1.00 0.00 H new ATOM 605 N THR A 40 7.327 4.016 -6.038 1.00 0.00 N ATOM 606 CA THR A 40 6.578 4.582 -7.150 1.00 0.00 C ATOM 607 C THR A 40 5.172 4.971 -6.715 1.00 0.00 C ATOM 608 O THR A 40 4.467 4.182 -6.087 1.00 0.00 O ATOM 609 CB THR A 40 6.471 3.579 -8.315 1.00 0.00 C ATOM 610 OG1 THR A 40 5.525 4.047 -9.281 1.00 0.00 O ATOM 611 CG2 THR A 40 6.060 2.201 -7.810 1.00 0.00 C ATOM 0 H THR A 40 7.593 3.040 -6.170 1.00 0.00 H new ATOM 0 HA THR A 40 7.119 5.468 -7.482 1.00 0.00 H new ATOM 0 HB THR A 40 7.451 3.495 -8.784 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.465 3.404 -10.018 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.991 1.511 -8.651 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.804 1.837 -7.101 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.091 2.269 -7.316 1.00 0.00 H new ATOM 619 N THR A 41 4.767 6.187 -7.054 1.00 0.00 N ATOM 620 CA THR A 41 3.441 6.664 -6.696 1.00 0.00 C ATOM 621 C THR A 41 2.383 6.055 -7.611 1.00 0.00 C ATOM 622 O THR A 41 2.495 6.124 -8.835 1.00 0.00 O ATOM 623 CB THR A 41 3.355 8.198 -6.774 1.00 0.00 C ATOM 624 OG1 THR A 41 4.464 8.787 -6.083 1.00 0.00 O ATOM 625 CG2 THR A 41 2.059 8.686 -6.153 1.00 0.00 C ATOM 0 H THR A 41 5.335 6.857 -7.573 1.00 0.00 H new ATOM 0 HA THR A 41 3.255 6.354 -5.668 1.00 0.00 H new ATOM 0 HB THR A 41 3.382 8.493 -7.823 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.403 9.764 -6.139 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.012 9.773 -6.216 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.214 8.255 -6.689 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.019 8.381 -5.107 1.00 0.00 H new ATOM 633 N CYS A 42 1.359 5.456 -7.012 1.00 0.00 N ATOM 634 CA CYS A 42 0.286 4.832 -7.779 1.00 0.00 C ATOM 635 C CYS A 42 -1.024 5.595 -7.602 1.00 0.00 C ATOM 636 O CYS A 42 -2.077 4.998 -7.378 1.00 0.00 O ATOM 637 CB CYS A 42 0.109 3.370 -7.351 1.00 0.00 C ATOM 638 SG CYS A 42 1.626 2.391 -7.439 1.00 0.00 S ATOM 0 H CYS A 42 1.249 5.389 -6.000 1.00 0.00 H new ATOM 0 HA CYS A 42 0.559 4.861 -8.834 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.269 3.344 -6.329 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.648 2.906 -7.983 1.00 0.00 H new ATOM 0 HG CYS A 42 2.618 3.084 -6.965 1.00 0.00 H new ATOM 644 N LYS A 43 -0.950 6.920 -7.702 1.00 0.00 N ATOM 645 CA LYS A 43 -2.130 7.766 -7.552 1.00 0.00 C ATOM 646 C LYS A 43 -3.005 7.705 -8.800 1.00 0.00 C ATOM 647 O LYS A 43 -2.536 7.949 -9.912 1.00 0.00 O ATOM 648 CB LYS A 43 -1.719 9.215 -7.273 1.00 0.00 C ATOM 649 CG LYS A 43 -0.822 9.813 -8.346 1.00 0.00 C ATOM 650 CD LYS A 43 -0.399 11.228 -7.988 1.00 0.00 C ATOM 651 CE LYS A 43 0.510 11.823 -9.051 1.00 0.00 C ATOM 652 NZ LYS A 43 0.929 13.210 -8.711 1.00 0.00 N ATOM 0 H LYS A 43 -0.086 7.430 -7.886 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.706 7.392 -6.706 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.616 9.826 -7.180 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.203 9.259 -6.314 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.062 9.188 -8.473 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.348 9.819 -9.301 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.283 11.855 -7.871 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.117 11.223 -7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.393 11.195 -9.166 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.007 11.825 -10.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.548 13.579 -9.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.088 13.816 -8.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.445 13.205 -7.808 1.00 0.00 H new ATOM 666 N SER A 44 -4.278 7.377 -8.607 1.00 0.00 N ATOM 667 CA SER A 44 -5.221 7.283 -9.717 1.00 0.00 C ATOM 668 C SER A 44 -6.129 8.507 -9.765 1.00 0.00 C ATOM 669 O SER A 44 -6.797 8.833 -8.784 1.00 0.00 O ATOM 670 CB SER A 44 -6.066 6.015 -9.584 1.00 0.00 C ATOM 671 OG SER A 44 -5.251 4.856 -9.598 1.00 0.00 O ATOM 0 H SER A 44 -4.681 7.172 -7.693 1.00 0.00 H new ATOM 0 HA SER A 44 -4.650 7.240 -10.645 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.637 6.051 -8.656 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.786 5.967 -10.401 1.00 0.00 H new ATOM 0 HG SER A 44 -5.395 4.365 -10.434 1.00 0.00 H new ATOM 677 N GLY A 45 -6.155 9.177 -10.914 1.00 0.00 N ATOM 678 CA GLY A 45 -6.990 10.358 -11.076 1.00 0.00 C ATOM 679 C GLY A 45 -6.517 11.541 -10.249 1.00 0.00 C ATOM 680 O GLY A 45 -6.298 12.629 -10.783 1.00 0.00 O ATOM 0 H GLY A 45 -5.611 8.923 -11.739 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.007 10.642 -12.128 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.014 10.113 -10.795 1.00 0.00 H new ATOM 684 N ASP A 46 -6.360 11.333 -8.944 1.00 0.00 N ATOM 685 CA ASP A 46 -5.914 12.391 -8.046 1.00 0.00 C ATOM 686 C ASP A 46 -5.571 11.827 -6.670 1.00 0.00 C ATOM 687 O ASP A 46 -4.589 12.235 -6.049 1.00 0.00 O ATOM 688 CB ASP A 46 -6.987 13.477 -7.922 1.00 0.00 C ATOM 689 CG ASP A 46 -8.340 12.921 -7.518 1.00 0.00 C ATOM 690 OD1 ASP A 46 -8.465 11.685 -7.395 1.00 0.00 O ATOM 691 OD2 ASP A 46 -9.278 13.725 -7.331 1.00 0.00 O ATOM 0 H ASP A 46 -6.536 10.439 -8.486 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.013 12.836 -8.468 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.668 14.215 -7.186 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.083 13.998 -8.875 1.00 0.00 H new ATOM 696 N VAL A 47 -6.383 10.884 -6.200 1.00 0.00 N ATOM 697 CA VAL A 47 -6.159 10.262 -4.900 1.00 0.00 C ATOM 698 C VAL A 47 -4.879 9.432 -4.910 1.00 0.00 C ATOM 699 O VAL A 47 -4.799 8.409 -5.589 1.00 0.00 O ATOM 700 CB VAL A 47 -7.344 9.356 -4.510 1.00 0.00 C ATOM 701 CG1 VAL A 47 -7.127 8.737 -3.136 1.00 0.00 C ATOM 702 CG2 VAL A 47 -8.649 10.138 -4.553 1.00 0.00 C ATOM 0 H VAL A 47 -7.201 10.535 -6.700 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.065 11.063 -4.167 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.407 8.545 -5.235 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.977 8.103 -2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.217 8.137 -3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.032 9.528 -2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.475 9.483 -4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.596 10.972 -3.854 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.812 10.519 -5.561 1.00 0.00 H new ATOM 712 N GLU A 48 -3.877 9.883 -4.162 1.00 0.00 N ATOM 713 CA GLU A 48 -2.604 9.183 -4.097 1.00 0.00 C ATOM 714 C GLU A 48 -2.573 8.174 -2.958 1.00 0.00 C ATOM 715 O GLU A 48 -2.918 8.489 -1.819 1.00 0.00 O ATOM 716 CB GLU A 48 -1.459 10.182 -3.939 1.00 0.00 C ATOM 717 CG GLU A 48 -0.090 9.534 -3.914 1.00 0.00 C ATOM 718 CD GLU A 48 1.037 10.550 -3.952 1.00 0.00 C ATOM 719 OE1 GLU A 48 0.744 11.760 -4.037 1.00 0.00 O ATOM 720 OE2 GLU A 48 2.214 10.134 -3.894 1.00 0.00 O ATOM 0 H GLU A 48 -3.924 10.729 -3.594 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.482 8.636 -5.032 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.498 10.899 -4.759 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.603 10.744 -3.016 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.004 8.926 -3.014 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.005 8.860 -4.765 1.00 0.00 H new ATOM 727 N LEU A 49 -2.133 6.964 -3.279 1.00 0.00 N ATOM 728 CA LEU A 49 -2.024 5.892 -2.301 1.00 0.00 C ATOM 729 C LEU A 49 -0.718 5.142 -2.511 1.00 0.00 C ATOM 730 O LEU A 49 -0.392 4.751 -3.632 1.00 0.00 O ATOM 731 CB LEU A 49 -3.201 4.917 -2.418 1.00 0.00 C ATOM 732 CG LEU A 49 -4.591 5.517 -2.191 1.00 0.00 C ATOM 733 CD1 LEU A 49 -4.667 6.202 -0.834 1.00 0.00 C ATOM 734 CD2 LEU A 49 -4.950 6.482 -3.313 1.00 0.00 C ATOM 0 H LEU A 49 -1.843 6.700 -4.221 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.042 6.333 -1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.178 4.468 -3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.053 4.111 -1.700 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.320 4.707 -2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.663 6.621 -0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.465 5.475 -0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.927 7.001 -0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.942 6.897 -3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.219 7.290 -3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.947 5.951 -4.265 1.00 0.00 H new ATOM 746 N LYS A 50 0.034 4.948 -1.437 1.00 0.00 N ATOM 747 CA LYS A 50 1.307 4.250 -1.527 1.00 0.00 C ATOM 748 C LYS A 50 1.878 3.977 -0.136 1.00 0.00 C ATOM 749 O LYS A 50 1.150 4.001 0.855 1.00 0.00 O ATOM 750 CB LYS A 50 2.284 5.077 -2.372 1.00 0.00 C ATOM 751 CG LYS A 50 2.590 6.447 -1.788 1.00 0.00 C ATOM 752 CD LYS A 50 3.462 7.267 -2.726 1.00 0.00 C ATOM 753 CE LYS A 50 3.740 8.651 -2.165 1.00 0.00 C ATOM 754 NZ LYS A 50 4.587 9.463 -3.081 1.00 0.00 N ATOM 0 H LYS A 50 -0.214 5.262 -0.499 1.00 0.00 H new ATOM 0 HA LYS A 50 1.152 3.285 -2.010 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.216 4.522 -2.481 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.869 5.203 -3.372 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.658 6.979 -1.597 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.094 6.331 -0.828 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.405 6.746 -2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.970 7.358 -3.694 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.796 9.168 -1.990 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.236 8.558 -1.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.221 10.069 -2.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.153 8.831 -3.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.979 10.057 -3.680 1.00 0.00 H new ATOM 768 N ALA A 51 3.175 3.702 -0.066 1.00 0.00 N ATOM 769 CA ALA A 51 3.821 3.408 1.207 1.00 0.00 C ATOM 770 C ALA A 51 4.013 4.661 2.057 1.00 0.00 C ATOM 771 O ALA A 51 3.715 4.664 3.248 1.00 0.00 O ATOM 772 CB ALA A 51 5.156 2.721 0.965 1.00 0.00 C ATOM 0 H ALA A 51 3.798 3.676 -0.873 1.00 0.00 H new ATOM 0 HA ALA A 51 3.165 2.739 1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.632 2.505 1.921 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.993 1.790 0.422 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.801 3.375 0.378 1.00 0.00 H new ATOM 778 N SER A 52 4.532 5.718 1.450 1.00 0.00 N ATOM 779 CA SER A 52 4.778 6.959 2.175 1.00 0.00 C ATOM 780 C SER A 52 3.482 7.668 2.575 1.00 0.00 C ATOM 781 O SER A 52 3.313 8.045 3.735 1.00 0.00 O ATOM 782 CB SER A 52 5.654 7.891 1.339 1.00 0.00 C ATOM 783 OG SER A 52 5.889 9.114 2.015 1.00 0.00 O ATOM 0 H SER A 52 4.790 5.743 0.464 1.00 0.00 H new ATOM 0 HA SER A 52 5.298 6.698 3.096 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.604 7.404 1.122 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.171 8.088 0.382 1.00 0.00 H new ATOM 0 HG SER A 52 6.453 9.692 1.460 1.00 0.00 H new ATOM 789 N ASP A 53 2.577 7.867 1.619 1.00 0.00 N ATOM 790 CA ASP A 53 1.317 8.555 1.901 1.00 0.00 C ATOM 791 C ASP A 53 0.385 7.730 2.787 1.00 0.00 C ATOM 792 O ASP A 53 -0.161 8.245 3.763 1.00 0.00 O ATOM 793 CB ASP A 53 0.604 8.917 0.598 1.00 0.00 C ATOM 794 CG ASP A 53 1.359 9.959 -0.204 1.00 0.00 C ATOM 795 OD1 ASP A 53 2.455 10.362 0.237 1.00 0.00 O ATOM 796 OD2 ASP A 53 0.856 10.370 -1.270 1.00 0.00 O ATOM 0 H ASP A 53 2.690 7.565 0.651 1.00 0.00 H new ATOM 0 HA ASP A 53 1.570 9.464 2.447 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.478 8.018 -0.006 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.395 9.291 0.825 1.00 0.00 H new ATOM 801 N ALA A 54 0.182 6.463 2.440 1.00 0.00 N ATOM 802 CA ALA A 54 -0.713 5.604 3.212 1.00 0.00 C ATOM 803 C ALA A 54 0.036 4.761 4.244 1.00 0.00 C ATOM 804 O ALA A 54 -0.390 4.662 5.395 1.00 0.00 O ATOM 805 CB ALA A 54 -1.520 4.712 2.283 1.00 0.00 C ATOM 0 H ALA A 54 0.620 6.010 1.638 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.391 6.257 3.763 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.182 4.078 2.872 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.114 5.330 1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.843 4.087 1.700 1.00 0.00 H new ATOM 811 N GLY A 55 1.143 4.150 3.832 1.00 0.00 N ATOM 812 CA GLY A 55 1.918 3.314 4.742 1.00 0.00 C ATOM 813 C GLY A 55 2.169 3.979 6.084 1.00 0.00 C ATOM 814 O GLY A 55 2.313 3.301 7.100 1.00 0.00 O ATOM 0 H GLY A 55 1.520 4.216 2.886 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.391 2.373 4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.874 3.070 4.278 1.00 0.00 H new ATOM 818 N GLN A 56 2.216 5.309 6.084 1.00 0.00 N ATOM 819 CA GLN A 56 2.442 6.079 7.310 1.00 0.00 C ATOM 820 C GLN A 56 1.623 5.528 8.470 1.00 0.00 C ATOM 821 O GLN A 56 2.047 5.567 9.626 1.00 0.00 O ATOM 822 CB GLN A 56 2.063 7.543 7.085 1.00 0.00 C ATOM 823 CG GLN A 56 0.681 7.727 6.482 1.00 0.00 C ATOM 824 CD GLN A 56 0.323 9.186 6.279 1.00 0.00 C ATOM 825 OE1 GLN A 56 1.006 9.908 5.553 1.00 0.00 O ATOM 826 NE2 GLN A 56 -0.752 9.627 6.922 1.00 0.00 N ATOM 0 H GLN A 56 2.100 5.880 5.247 1.00 0.00 H new ATOM 0 HA GLN A 56 3.500 6.000 7.560 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.108 8.072 8.037 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.801 8.004 6.429 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.635 7.209 5.524 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.060 7.262 7.132 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.288 8.992 7.514 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.041 10.600 6.824 1.00 0.00 H new ATOM 835 N VAL A 57 0.440 5.033 8.146 1.00 0.00 N ATOM 836 CA VAL A 57 -0.470 4.486 9.139 1.00 0.00 C ATOM 837 C VAL A 57 0.092 3.228 9.795 1.00 0.00 C ATOM 838 O VAL A 57 -0.156 2.971 10.974 1.00 0.00 O ATOM 839 CB VAL A 57 -1.830 4.179 8.492 1.00 0.00 C ATOM 840 CG1 VAL A 57 -2.416 5.452 7.900 1.00 0.00 C ATOM 841 CG2 VAL A 57 -1.683 3.105 7.425 1.00 0.00 C ATOM 0 H VAL A 57 0.084 4.999 7.191 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.597 5.236 9.920 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.510 3.802 9.256 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.380 5.230 7.442 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.551 6.192 8.689 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.738 5.847 7.144 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.656 2.901 6.978 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.994 3.450 6.654 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.293 2.193 7.878 1.00 0.00 H new ATOM 851 N LEU A 58 0.848 2.445 9.033 1.00 0.00 N ATOM 852 CA LEU A 58 1.439 1.217 9.557 1.00 0.00 C ATOM 853 C LEU A 58 2.451 1.532 10.657 1.00 0.00 C ATOM 854 O LEU A 58 3.386 2.305 10.451 1.00 0.00 O ATOM 855 CB LEU A 58 2.121 0.436 8.431 1.00 0.00 C ATOM 856 CG LEU A 58 1.274 0.250 7.170 1.00 0.00 C ATOM 857 CD1 LEU A 58 2.026 -0.578 6.137 1.00 0.00 C ATOM 858 CD2 LEU A 58 -0.061 -0.397 7.515 1.00 0.00 C ATOM 0 H LEU A 58 1.066 2.637 8.055 1.00 0.00 H new ATOM 0 HA LEU A 58 0.641 0.608 9.982 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.043 0.950 8.159 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.403 -0.546 8.809 1.00 0.00 H new ATOM 0 HG LEU A 58 1.076 1.231 6.739 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.407 -0.699 5.248 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.952 -0.070 5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.257 -1.558 6.555 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.650 -0.522 6.607 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.114 -1.372 7.971 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.603 0.239 8.215 1.00 0.00 H new ATOM 870 N THR A 59 2.259 0.924 11.825 1.00 0.00 N ATOM 871 CA THR A 59 3.156 1.138 12.957 1.00 0.00 C ATOM 872 C THR A 59 4.454 0.352 12.791 1.00 0.00 C ATOM 873 O THR A 59 4.496 -0.651 12.080 1.00 0.00 O ATOM 874 CB THR A 59 2.493 0.738 14.289 1.00 0.00 C ATOM 875 OG1 THR A 59 2.138 -0.649 14.266 1.00 0.00 O ATOM 876 CG2 THR A 59 1.252 1.578 14.548 1.00 0.00 C ATOM 0 H THR A 59 1.491 0.280 12.012 1.00 0.00 H new ATOM 0 HA THR A 59 3.381 2.204 12.980 1.00 0.00 H new ATOM 0 HB THR A 59 3.209 0.915 15.092 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.755 -1.135 13.680 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.801 1.278 15.494 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.529 2.631 14.596 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.536 1.428 13.740 1.00 0.00 H new ATOM 884 N ALA A 60 5.513 0.818 13.448 1.00 0.00 N ATOM 885 CA ALA A 60 6.817 0.163 13.373 1.00 0.00 C ATOM 886 C ALA A 60 6.706 -1.333 13.656 1.00 0.00 C ATOM 887 O ALA A 60 7.323 -2.150 12.974 1.00 0.00 O ATOM 888 CB ALA A 60 7.790 0.815 14.345 1.00 0.00 C ATOM 0 H ALA A 60 5.494 1.649 14.040 1.00 0.00 H new ATOM 0 HA ALA A 60 7.195 0.283 12.358 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.758 0.318 14.279 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.906 1.869 14.092 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.404 0.726 15.361 1.00 0.00 H new ATOM 894 N ASP A 61 5.915 -1.688 14.662 1.00 0.00 N ATOM 895 CA ASP A 61 5.721 -3.088 15.027 1.00 0.00 C ATOM 896 C ASP A 61 5.222 -3.903 13.834 1.00 0.00 C ATOM 897 O ASP A 61 5.375 -5.123 13.795 1.00 0.00 O ATOM 898 CB ASP A 61 4.729 -3.201 16.187 1.00 0.00 C ATOM 899 CG ASP A 61 5.198 -2.461 17.424 1.00 0.00 C ATOM 900 OD1 ASP A 61 6.280 -2.802 17.945 1.00 0.00 O ATOM 901 OD2 ASP A 61 4.483 -1.539 17.870 1.00 0.00 O ATOM 0 H ASP A 61 5.397 -1.026 15.240 1.00 0.00 H new ATOM 0 HA ASP A 61 6.684 -3.491 15.339 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.763 -2.805 15.875 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.579 -4.253 16.431 1.00 0.00 H new ATOM 906 N ASP A 62 4.614 -3.218 12.869 1.00 0.00 N ATOM 907 CA ASP A 62 4.075 -3.866 11.675 1.00 0.00 C ATOM 908 C ASP A 62 5.166 -4.427 10.763 1.00 0.00 C ATOM 909 O ASP A 62 4.858 -4.929 9.681 1.00 0.00 O ATOM 910 CB ASP A 62 3.231 -2.878 10.876 1.00 0.00 C ATOM 911 CG ASP A 62 2.115 -2.265 11.700 1.00 0.00 C ATOM 912 OD1 ASP A 62 1.976 -2.640 12.884 1.00 0.00 O ATOM 913 OD2 ASP A 62 1.385 -1.404 11.166 1.00 0.00 O ATOM 0 H ASP A 62 4.481 -2.207 12.891 1.00 0.00 H new ATOM 0 HA ASP A 62 3.466 -4.700 12.024 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.873 -2.085 10.493 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.803 -3.387 10.012 1.00 0.00 H new ATOM 918 N PHE A 63 6.432 -4.331 11.171 1.00 0.00 N ATOM 919 CA PHE A 63 7.530 -4.826 10.342 1.00 0.00 C ATOM 920 C PHE A 63 7.175 -6.154 9.676 1.00 0.00 C ATOM 921 O PHE A 63 7.037 -6.216 8.458 1.00 0.00 O ATOM 922 CB PHE A 63 8.812 -4.978 11.165 1.00 0.00 C ATOM 923 CG PHE A 63 9.849 -3.936 10.866 1.00 0.00 C ATOM 924 CD1 PHE A 63 9.544 -2.587 10.947 1.00 0.00 C ATOM 925 CD2 PHE A 63 11.132 -4.307 10.502 1.00 0.00 C ATOM 926 CE1 PHE A 63 10.499 -1.628 10.672 1.00 0.00 C ATOM 927 CE2 PHE A 63 12.092 -3.355 10.225 1.00 0.00 C ATOM 928 CZ PHE A 63 11.776 -2.013 10.311 1.00 0.00 C ATOM 0 H PHE A 63 6.720 -3.920 12.059 1.00 0.00 H new ATOM 0 HA PHE A 63 7.701 -4.088 9.559 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.560 -4.933 12.225 1.00 0.00 H new ATOM 0 HB3 PHE A 63 9.237 -5.964 10.980 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.547 -2.282 11.229 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.385 -5.355 10.434 1.00 0.00 H new ATOM 0 HE1 PHE A 63 10.248 -0.580 10.739 1.00 0.00 H new ATOM 0 HE2 PHE A 63 13.089 -3.659 9.941 1.00 0.00 H new ATOM 0 HZ PHE A 63 12.526 -1.266 10.096 1.00 0.00 H new ATOM 938 N PRO A 64 7.002 -7.232 10.462 1.00 0.00 N ATOM 939 CA PRO A 64 6.646 -8.549 9.922 1.00 0.00 C ATOM 940 C PRO A 64 5.215 -8.586 9.398 1.00 0.00 C ATOM 941 O PRO A 64 4.319 -9.131 10.043 1.00 0.00 O ATOM 942 CB PRO A 64 6.810 -9.479 11.122 1.00 0.00 C ATOM 943 CG PRO A 64 6.590 -8.607 12.309 1.00 0.00 C ATOM 944 CD PRO A 64 7.123 -7.250 11.932 1.00 0.00 C ATOM 0 HA PRO A 64 7.266 -8.827 9.069 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.089 -10.296 11.092 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.802 -9.930 11.141 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.531 -8.554 12.563 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.108 -9.000 13.184 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.545 -6.449 12.393 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.157 -7.121 12.252 1.00 0.00 H new ATOM 952 N PHE A 65 5.010 -7.997 8.227 1.00 0.00 N ATOM 953 CA PHE A 65 3.691 -7.950 7.609 1.00 0.00 C ATOM 954 C PHE A 65 3.325 -9.286 6.970 1.00 0.00 C ATOM 955 O PHE A 65 4.172 -9.958 6.380 1.00 0.00 O ATOM 956 CB PHE A 65 3.646 -6.852 6.546 1.00 0.00 C ATOM 957 CG PHE A 65 2.776 -5.685 6.913 1.00 0.00 C ATOM 958 CD1 PHE A 65 1.409 -5.763 6.740 1.00 0.00 C ATOM 959 CD2 PHE A 65 3.318 -4.517 7.424 1.00 0.00 C ATOM 960 CE1 PHE A 65 0.589 -4.706 7.067 1.00 0.00 C ATOM 961 CE2 PHE A 65 2.504 -3.451 7.754 1.00 0.00 C ATOM 962 CZ PHE A 65 1.137 -3.546 7.575 1.00 0.00 C ATOM 0 H PHE A 65 5.744 -7.543 7.684 1.00 0.00 H new ATOM 0 HA PHE A 65 2.967 -7.734 8.395 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.659 -6.494 6.364 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.287 -7.280 5.610 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.975 -6.668 6.341 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.386 -4.439 7.566 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.479 -4.785 6.926 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.935 -2.544 8.152 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.499 -2.714 7.832 1.00 0.00 H new ATOM 972 N LYS A 66 2.053 -9.656 7.088 1.00 0.00 N ATOM 973 CA LYS A 66 1.554 -10.903 6.517 1.00 0.00 C ATOM 974 C LYS A 66 1.586 -10.849 4.992 1.00 0.00 C ATOM 975 O LYS A 66 0.544 -10.817 4.328 1.00 0.00 O ATOM 976 CB LYS A 66 0.130 -11.189 6.994 1.00 0.00 C ATOM 977 CG LYS A 66 -0.446 -12.504 6.482 1.00 0.00 C ATOM 978 CD LYS A 66 -0.044 -13.693 7.347 1.00 0.00 C ATOM 979 CE LYS A 66 1.460 -13.911 7.365 1.00 0.00 C ATOM 980 NZ LYS A 66 1.827 -15.185 8.044 1.00 0.00 N ATOM 0 H LYS A 66 1.346 -9.107 7.577 1.00 0.00 H new ATOM 0 HA LYS A 66 2.206 -11.708 6.856 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.119 -11.200 8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.519 -10.373 6.677 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.533 -12.433 6.450 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.108 -12.672 5.460 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.398 -13.535 8.366 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.535 -14.592 6.975 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.838 -13.922 6.343 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.942 -13.076 7.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.861 -15.297 8.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.489 -15.164 9.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.388 -15.984 7.544 1.00 0.00 H new ATOM 994 N SER A 67 2.793 -10.839 4.447 1.00 0.00 N ATOM 995 CA SER A 67 2.986 -10.799 3.009 1.00 0.00 C ATOM 996 C SER A 67 2.339 -9.567 2.378 1.00 0.00 C ATOM 997 O SER A 67 1.483 -8.912 2.978 1.00 0.00 O ATOM 998 CB SER A 67 2.440 -12.073 2.366 1.00 0.00 C ATOM 999 OG SER A 67 3.066 -13.223 2.905 1.00 0.00 O ATOM 0 H SER A 67 3.659 -10.858 4.986 1.00 0.00 H new ATOM 0 HA SER A 67 4.058 -10.734 2.825 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.363 -12.132 2.526 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.601 -12.038 1.289 1.00 0.00 H new ATOM 0 HG SER A 67 2.699 -14.025 2.479 1.00 0.00 H new ATOM 1005 N ALA A 68 2.773 -9.261 1.160 1.00 0.00 N ATOM 1006 CA ALA A 68 2.269 -8.115 0.413 1.00 0.00 C ATOM 1007 C ALA A 68 0.748 -8.103 0.347 1.00 0.00 C ATOM 1008 O ALA A 68 0.136 -7.046 0.201 1.00 0.00 O ATOM 1009 CB ALA A 68 2.865 -8.112 -0.986 1.00 0.00 C ATOM 0 H ALA A 68 3.483 -9.800 0.664 1.00 0.00 H new ATOM 0 HA ALA A 68 2.574 -7.210 0.939 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.486 -7.254 -1.541 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.951 -8.049 -0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.586 -9.030 -1.502 1.00 0.00 H new ATOM 1015 N GLU A 69 0.139 -9.276 0.448 1.00 0.00 N ATOM 1016 CA GLU A 69 -1.311 -9.378 0.392 1.00 0.00 C ATOM 1017 C GLU A 69 -1.974 -8.582 1.517 1.00 0.00 C ATOM 1018 O GLU A 69 -2.890 -7.794 1.263 1.00 0.00 O ATOM 1019 CB GLU A 69 -1.747 -10.841 0.456 1.00 0.00 C ATOM 1020 CG GLU A 69 -1.262 -11.555 1.693 1.00 0.00 C ATOM 1021 CD GLU A 69 -1.583 -13.037 1.682 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -2.190 -13.505 0.696 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -1.225 -13.731 2.658 1.00 0.00 O ATOM 0 H GLU A 69 0.624 -10.165 0.568 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.634 -8.951 -0.557 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.835 -10.890 0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.375 -11.363 -0.426 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.184 -11.422 1.784 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.715 -11.097 2.572 1.00 0.00 H new ATOM 1030 N GLU A 70 -1.525 -8.776 2.762 1.00 0.00 N ATOM 1031 CA GLU A 70 -2.125 -8.052 3.873 1.00 0.00 C ATOM 1032 C GLU A 70 -1.735 -6.583 3.829 1.00 0.00 C ATOM 1033 O GLU A 70 -2.531 -5.713 4.168 1.00 0.00 O ATOM 1034 CB GLU A 70 -1.785 -8.685 5.232 1.00 0.00 C ATOM 1035 CG GLU A 70 -0.656 -8.007 5.987 1.00 0.00 C ATOM 1036 CD GLU A 70 -0.729 -8.248 7.485 1.00 0.00 C ATOM 1037 OE1 GLU A 70 -1.664 -8.947 7.930 1.00 0.00 O ATOM 1038 OE2 GLU A 70 0.148 -7.736 8.212 1.00 0.00 O ATOM 0 H GLU A 70 -0.769 -9.412 3.016 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.207 -8.121 3.761 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.679 -8.673 5.856 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.521 -9.731 5.074 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.299 -8.372 5.610 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.686 -6.935 5.793 1.00 0.00 H new ATOM 1045 N VAL A 71 -0.513 -6.315 3.403 1.00 0.00 N ATOM 1046 CA VAL A 71 -0.029 -4.946 3.309 1.00 0.00 C ATOM 1047 C VAL A 71 -0.847 -4.153 2.297 1.00 0.00 C ATOM 1048 O VAL A 71 -1.184 -2.994 2.527 1.00 0.00 O ATOM 1049 CB VAL A 71 1.453 -4.920 2.920 1.00 0.00 C ATOM 1050 CG1 VAL A 71 1.977 -3.492 2.868 1.00 0.00 C ATOM 1051 CG2 VAL A 71 2.246 -5.759 3.906 1.00 0.00 C ATOM 0 H VAL A 71 0.162 -7.024 3.117 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.141 -4.483 4.289 1.00 0.00 H new ATOM 0 HB VAL A 71 1.568 -5.343 1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.031 -3.501 2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.412 -2.924 2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.864 -3.027 3.847 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.301 -5.743 3.632 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.125 -5.352 4.910 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.882 -6.786 3.885 1.00 0.00 H new ATOM 1061 N ALA A 72 -1.173 -4.790 1.180 1.00 0.00 N ATOM 1062 CA ALA A 72 -1.960 -4.145 0.140 1.00 0.00 C ATOM 1063 C ALA A 72 -3.330 -3.731 0.669 1.00 0.00 C ATOM 1064 O ALA A 72 -3.741 -2.580 0.520 1.00 0.00 O ATOM 1065 CB ALA A 72 -2.109 -5.073 -1.055 1.00 0.00 C ATOM 0 H ALA A 72 -0.904 -5.752 0.972 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.436 -3.244 -0.177 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.700 -4.580 -1.827 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.123 -5.316 -1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.611 -5.989 -0.744 1.00 0.00 H new ATOM 1071 N ASP A 73 -4.033 -4.679 1.287 1.00 0.00 N ATOM 1072 CA ASP A 73 -5.360 -4.412 1.838 1.00 0.00 C ATOM 1073 C ASP A 73 -5.290 -3.443 3.018 1.00 0.00 C ATOM 1074 O ASP A 73 -6.127 -2.551 3.154 1.00 0.00 O ATOM 1075 CB ASP A 73 -6.022 -5.720 2.280 1.00 0.00 C ATOM 1076 CG ASP A 73 -6.179 -6.708 1.140 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -5.771 -6.375 0.007 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -6.710 -7.812 1.378 1.00 0.00 O ATOM 0 H ASP A 73 -3.707 -5.636 1.418 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.959 -3.949 1.053 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.426 -6.175 3.071 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.002 -5.502 2.704 1.00 0.00 H new ATOM 1083 N THR A 74 -4.295 -3.637 3.872 1.00 0.00 N ATOM 1084 CA THR A 74 -4.109 -2.799 5.051 1.00 0.00 C ATOM 1085 C THR A 74 -3.959 -1.326 4.678 1.00 0.00 C ATOM 1086 O THR A 74 -4.631 -0.462 5.242 1.00 0.00 O ATOM 1087 CB THR A 74 -2.872 -3.251 5.854 1.00 0.00 C ATOM 1088 OG1 THR A 74 -3.057 -4.595 6.316 1.00 0.00 O ATOM 1089 CG2 THR A 74 -2.614 -2.333 7.041 1.00 0.00 C ATOM 0 H THR A 74 -3.598 -4.374 3.770 1.00 0.00 H new ATOM 0 HA THR A 74 -5.002 -2.911 5.666 1.00 0.00 H new ATOM 0 HB THR A 74 -2.006 -3.203 5.193 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.255 -5.179 5.554 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.736 -2.680 7.585 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.442 -1.317 6.685 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.479 -2.344 7.704 1.00 0.00 H new ATOM 1097 N ILE A 75 -3.073 -1.043 3.731 1.00 0.00 N ATOM 1098 CA ILE A 75 -2.834 0.325 3.292 1.00 0.00 C ATOM 1099 C ILE A 75 -4.107 0.956 2.729 1.00 0.00 C ATOM 1100 O ILE A 75 -4.472 2.071 3.098 1.00 0.00 O ATOM 1101 CB ILE A 75 -1.708 0.378 2.233 1.00 0.00 C ATOM 1102 CG1 ILE A 75 -0.397 -0.130 2.836 1.00 0.00 C ATOM 1103 CG2 ILE A 75 -1.521 1.792 1.696 1.00 0.00 C ATOM 1104 CD1 ILE A 75 0.740 -0.200 1.840 1.00 0.00 C ATOM 0 H ILE A 75 -2.508 -1.744 3.252 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.521 0.897 4.166 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.996 -0.265 1.401 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.108 0.523 3.659 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.561 -1.121 3.258 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.723 1.797 0.954 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.448 2.131 1.234 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.258 2.461 2.516 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.637 -0.568 2.337 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.472 -0.876 1.028 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.931 0.794 1.436 1.00 0.00 H new ATOM 1116 N VAL A 76 -4.777 0.240 1.832 1.00 0.00 N ATOM 1117 CA VAL A 76 -6.004 0.742 1.218 1.00 0.00 C ATOM 1118 C VAL A 76 -7.115 0.955 2.244 1.00 0.00 C ATOM 1119 O VAL A 76 -7.839 1.950 2.185 1.00 0.00 O ATOM 1120 CB VAL A 76 -6.514 -0.204 0.113 1.00 0.00 C ATOM 1121 CG1 VAL A 76 -5.578 -0.179 -1.084 1.00 0.00 C ATOM 1122 CG2 VAL A 76 -6.674 -1.620 0.642 1.00 0.00 C ATOM 0 H VAL A 76 -4.493 -0.687 1.514 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.747 1.705 0.776 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.494 0.147 -0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.954 -0.853 -1.854 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.524 0.834 -1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.583 -0.500 -0.775 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.035 -2.268 -0.157 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.711 -1.986 0.999 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.391 -1.623 1.463 1.00 0.00 H new ATOM 1132 N ASN A 77 -7.258 0.018 3.174 1.00 0.00 N ATOM 1133 CA ASN A 77 -8.298 0.111 4.197 1.00 0.00 C ATOM 1134 C ASN A 77 -8.166 1.388 5.026 1.00 0.00 C ATOM 1135 O ASN A 77 -9.111 2.168 5.131 1.00 0.00 O ATOM 1136 CB ASN A 77 -8.248 -1.111 5.120 1.00 0.00 C ATOM 1137 CG ASN A 77 -8.545 -2.428 4.412 1.00 0.00 C ATOM 1138 OD1 ASN A 77 -8.472 -3.494 5.023 1.00 0.00 O ATOM 1139 ND2 ASN A 77 -8.889 -2.372 3.125 1.00 0.00 N ATOM 0 H ASN A 77 -6.670 -0.813 3.243 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.258 0.141 3.682 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.260 -1.169 5.577 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -8.966 -0.974 5.929 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.102 -3.230 2.616 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -8.940 -1.471 2.649 1.00 0.00 H new ATOM 1146 N LYS A 78 -6.996 1.589 5.623 1.00 0.00 N ATOM 1147 CA LYS A 78 -6.751 2.762 6.454 1.00 0.00 C ATOM 1148 C LYS A 78 -6.631 4.030 5.616 1.00 0.00 C ATOM 1149 O LYS A 78 -7.099 5.096 6.015 1.00 0.00 O ATOM 1150 CB LYS A 78 -5.482 2.560 7.271 1.00 0.00 C ATOM 1151 CG LYS A 78 -5.528 1.322 8.154 1.00 0.00 C ATOM 1152 CD LYS A 78 -4.334 1.252 9.091 1.00 0.00 C ATOM 1153 CE LYS A 78 -4.356 2.383 10.107 1.00 0.00 C ATOM 1154 NZ LYS A 78 -5.565 2.327 10.975 1.00 0.00 N ATOM 0 H LYS A 78 -6.202 0.954 5.547 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.604 2.883 7.122 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.630 2.484 6.595 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.316 3.438 7.896 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.448 1.326 8.738 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.552 0.430 7.528 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.334 0.294 9.611 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.412 1.300 8.511 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.461 2.331 10.727 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.327 3.340 9.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.434 2.954 11.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.397 2.636 10.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.710 1.352 11.306 1.00 0.00 H new ATOM 1168 N ALA A 79 -5.985 3.912 4.463 1.00 0.00 N ATOM 1169 CA ALA A 79 -5.788 5.058 3.581 1.00 0.00 C ATOM 1170 C ALA A 79 -7.110 5.556 3.005 1.00 0.00 C ATOM 1171 O ALA A 79 -7.261 6.746 2.724 1.00 0.00 O ATOM 1172 CB ALA A 79 -4.833 4.697 2.451 1.00 0.00 C ATOM 0 H ALA A 79 -5.589 3.038 4.116 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.355 5.862 4.176 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.695 5.561 1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.871 4.400 2.869 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.248 3.871 1.874 1.00 0.00 H new ATOM 1178 N GLY A 80 -8.067 4.650 2.838 1.00 0.00 N ATOM 1179 CA GLY A 80 -9.358 5.039 2.302 1.00 0.00 C ATOM 1180 C GLY A 80 -10.051 3.914 1.568 1.00 0.00 C ATOM 1181 O GLY A 80 -11.201 3.582 1.858 1.00 0.00 O ATOM 0 H GLY A 80 -7.973 3.659 3.063 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.996 5.382 3.116 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.226 5.882 1.624 1.00 0.00 H new ATOM 1185 N LEU A 81 -9.348 3.338 0.606 1.00 0.00 N ATOM 1186 CA LEU A 81 -9.885 2.252 -0.198 1.00 0.00 C ATOM 1187 C LEU A 81 -9.966 0.959 0.607 1.00 0.00 C ATOM 1188 O LEU A 81 -10.133 1.042 1.843 1.00 0.00 O ATOM 1189 CB LEU A 81 -9.006 2.058 -1.429 1.00 0.00 C ATOM 1190 CG LEU A 81 -8.707 3.342 -2.201 1.00 0.00 C ATOM 1191 CD1 LEU A 81 -7.571 3.118 -3.186 1.00 0.00 C ATOM 1192 CD2 LEU A 81 -9.952 3.829 -2.927 1.00 0.00 C ATOM 1193 OXT LEU A 81 -9.864 -0.126 -0.003 1.00 0.00 O ATOM 0 H LEU A 81 -8.395 3.608 0.362 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.897 2.511 -0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.063 1.607 -1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.493 1.350 -2.100 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.401 4.109 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.371 4.043 -3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.675 2.813 -2.645 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.851 2.337 -3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.721 4.744 -3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.287 3.064 -3.628 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.742 4.028 -2.202 1.00 0.00 H new TER 1205 LEU A 81