USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 750 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 72 MET CE :methyl 157:sc= -1.32 (180deg=-3.09!) USER MOD Set 1.2: A 89 MET CE :methyl 157:sc= -0.708 (180deg=-0.033) USER MOD Set 2.1: A 36 LYS NZ :NH3+ -114:sc= 1.57 (180deg=-0.311) USER MOD Set 2.2: A 37 TYR OH : rot 27:sc= 1.23 USER MOD Set 3.1: A 26 SER OG : rot 180:sc= 0.371 USER MOD Set 3.2: A 29 THR OG1 : rot 82:sc= 0.309 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -174:sc= -0.418 (180deg=-0.587) USER MOD Single : A 14 THR OG1 : rot 130:sc= -0.975 USER MOD Single : A 15 SER OG : rot 180:sc= -0.322 USER MOD Single : A 17 LYS NZ :NH3+ -165:sc= 1.28 (180deg=1.12) USER MOD Single : A 20 ASN : amide:sc= -2.36 K(o=-2.4,f=-1.6) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 147:sc= -0.406 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= -0.114 USER MOD Single : A 63 HIS : no HD1:sc= -3.95! K(o=-4!,f=-0.21) USER MOD Single : A 65 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000926) USER MOD Single : A 75 MET CE :methyl 176:sc= -4.19! (180deg=-4.34!) USER MOD Single : A 88 GLN : amide:sc= -1.69 K(o=-1.7,f=-3.3) USER MOD Single : A 92 TYR OH : rot 180:sc= 0.732 USER MOD Single : A 98 SER OG : rot -50:sc= 0.258 USER MOD ----------------------------------------------------------------- ATOM 29 N TYR A 3 -11.674 15.060 3.101 1.00 0.00 N ATOM 30 CA TYR A 3 -10.727 14.906 2.009 1.00 0.00 C ATOM 31 C TYR A 3 -10.960 15.968 0.934 1.00 0.00 C ATOM 32 O TYR A 3 -10.018 16.623 0.491 1.00 0.00 O ATOM 33 CB TYR A 3 -10.913 13.498 1.433 1.00 0.00 C ATOM 34 CG TYR A 3 -10.543 12.392 2.393 1.00 0.00 C ATOM 35 CD1 TYR A 3 -9.229 11.904 2.428 1.00 0.00 C ATOM 36 CD2 TYR A 3 -11.513 11.849 3.248 1.00 0.00 C ATOM 37 CE1 TYR A 3 -8.882 10.879 3.315 1.00 0.00 C ATOM 38 CE2 TYR A 3 -11.172 10.830 4.146 1.00 0.00 C ATOM 39 CZ TYR A 3 -9.851 10.338 4.186 1.00 0.00 C ATOM 40 OH TYR A 3 -9.510 9.348 5.060 1.00 0.00 O ATOM 0 HA TYR A 3 -9.707 15.036 2.370 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -11.953 13.373 1.133 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -10.308 13.402 0.532 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -8.482 12.321 1.768 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -12.527 12.218 3.214 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -7.870 10.501 3.333 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -11.921 10.421 4.808 1.00 0.00 H new ATOM 0 HH TYR A 3 -10.296 9.091 5.586 1.00 0.00 H new ATOM 50 N GLY A 4 -12.220 16.133 0.526 1.00 0.00 N ATOM 51 CA GLY A 4 -12.698 17.095 -0.460 1.00 0.00 C ATOM 52 C GLY A 4 -12.200 16.849 -1.881 1.00 0.00 C ATOM 53 O GLY A 4 -12.934 17.151 -2.814 1.00 0.00 O ATOM 0 H GLY A 4 -12.978 15.562 0.900 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.788 17.081 -0.463 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.393 18.095 -0.150 1.00 0.00 H new ATOM 57 N ARG A 5 -10.985 16.310 -2.036 1.00 0.00 N ATOM 58 CA ARG A 5 -10.305 15.912 -3.274 1.00 0.00 C ATOM 59 C ARG A 5 -8.798 16.152 -3.134 1.00 0.00 C ATOM 60 O ARG A 5 -8.240 16.999 -3.829 1.00 0.00 O ATOM 61 CB ARG A 5 -10.899 16.453 -4.571 1.00 0.00 C ATOM 62 CG ARG A 5 -10.871 17.968 -4.720 1.00 0.00 C ATOM 63 CD ARG A 5 -11.641 18.274 -5.994 1.00 0.00 C ATOM 64 NE ARG A 5 -10.989 17.709 -7.187 1.00 0.00 N ATOM 65 CZ ARG A 5 -11.503 16.701 -7.901 1.00 0.00 C ATOM 66 NH1 ARG A 5 -12.674 16.172 -7.570 1.00 0.00 N ATOM 67 NH2 ARG A 5 -10.847 16.212 -8.955 1.00 0.00 N ATOM 0 H ARG A 5 -10.399 16.124 -1.222 1.00 0.00 H new ATOM 0 HA ARG A 5 -10.484 14.843 -3.390 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -10.359 16.012 -5.409 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -11.933 16.117 -4.645 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.331 18.454 -3.859 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -9.847 18.336 -4.784 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -12.652 17.874 -5.911 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.734 19.354 -6.110 1.00 0.00 H new ATOM 0 HE ARG A 5 -10.098 18.107 -7.485 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -13.188 16.534 -6.767 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -13.060 15.404 -8.119 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.945 16.607 -9.223 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -11.247 15.443 -9.493 1.00 0.00 H new ATOM 81 N PRO A 6 -8.135 15.414 -2.231 1.00 0.00 N ATOM 82 CA PRO A 6 -6.768 15.681 -1.816 1.00 0.00 C ATOM 83 C PRO A 6 -5.808 15.640 -3.005 1.00 0.00 C ATOM 84 O PRO A 6 -5.660 14.589 -3.622 1.00 0.00 O ATOM 85 CB PRO A 6 -6.442 14.608 -0.774 1.00 0.00 C ATOM 86 CG PRO A 6 -7.435 13.486 -1.061 1.00 0.00 C ATOM 87 CD PRO A 6 -8.664 14.253 -1.548 1.00 0.00 C ATOM 0 HA PRO A 6 -6.659 16.681 -1.396 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.413 14.262 -0.869 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -6.557 14.991 0.240 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.061 12.796 -1.817 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -7.651 12.896 -0.170 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.270 13.643 -2.218 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.304 14.543 -0.715 1.00 0.00 H new ATOM 95 N PRO A 7 -5.162 16.774 -3.327 1.00 0.00 N ATOM 96 CA PRO A 7 -4.183 16.926 -4.388 1.00 0.00 C ATOM 97 C PRO A 7 -2.729 16.926 -3.893 1.00 0.00 C ATOM 98 O PRO A 7 -2.091 17.980 -3.848 1.00 0.00 O ATOM 99 CB PRO A 7 -4.543 18.294 -4.965 1.00 0.00 C ATOM 100 CG PRO A 7 -4.832 19.104 -3.700 1.00 0.00 C ATOM 101 CD PRO A 7 -5.415 18.073 -2.725 1.00 0.00 C ATOM 0 HA PRO A 7 -4.221 16.098 -5.096 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.725 18.721 -5.545 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.409 18.244 -5.625 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.926 19.561 -3.303 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -5.537 19.912 -3.896 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.942 18.149 -1.746 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -6.483 18.234 -2.577 1.00 0.00 H new ATOM 109 N PRO A 8 -2.179 15.761 -3.516 1.00 0.00 N ATOM 110 CA PRO A 8 -0.759 15.615 -3.231 1.00 0.00 C ATOM 111 C PRO A 8 0.050 15.778 -4.524 1.00 0.00 C ATOM 112 O PRO A 8 -0.459 16.302 -5.514 1.00 0.00 O ATOM 113 CB PRO A 8 -0.618 14.229 -2.598 1.00 0.00 C ATOM 114 CG PRO A 8 -1.781 13.446 -3.203 1.00 0.00 C ATOM 115 CD PRO A 8 -2.870 14.500 -3.367 1.00 0.00 C ATOM 0 HA PRO A 8 -0.372 16.375 -2.552 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.342 13.773 -2.839 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.686 14.274 -1.511 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.509 12.997 -4.158 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.102 12.635 -2.550 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.490 14.289 -4.238 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.532 14.517 -2.501 1.00 0.00 H new ATOM 123 N ASP A 9 1.308 15.330 -4.529 1.00 0.00 N ATOM 124 CA ASP A 9 2.219 15.415 -5.671 1.00 0.00 C ATOM 125 C ASP A 9 1.787 14.560 -6.875 1.00 0.00 C ATOM 126 O ASP A 9 2.636 14.050 -7.607 1.00 0.00 O ATOM 127 CB ASP A 9 3.624 15.018 -5.209 1.00 0.00 C ATOM 128 CG ASP A 9 4.121 15.936 -4.097 1.00 0.00 C ATOM 129 OD1 ASP A 9 4.600 17.041 -4.431 1.00 0.00 O ATOM 130 OD2 ASP A 9 4.020 15.526 -2.920 1.00 0.00 O ATOM 0 H ASP A 9 1.732 14.886 -3.715 1.00 0.00 H new ATOM 0 HA ASP A 9 2.202 16.446 -6.025 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.615 13.987 -4.856 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.312 15.060 -6.053 1.00 0.00 H new ATOM 135 N VAL A 10 0.479 14.384 -7.094 1.00 0.00 N ATOM 136 CA VAL A 10 -0.066 13.553 -8.165 1.00 0.00 C ATOM 137 C VAL A 10 0.415 13.958 -9.556 1.00 0.00 C ATOM 138 O VAL A 10 0.177 13.232 -10.519 1.00 0.00 O ATOM 139 CB VAL A 10 -1.598 13.557 -8.120 1.00 0.00 C ATOM 140 CG1 VAL A 10 -2.115 13.207 -6.728 1.00 0.00 C ATOM 141 CG2 VAL A 10 -2.164 14.924 -8.510 1.00 0.00 C ATOM 0 H VAL A 10 -0.240 14.824 -6.520 1.00 0.00 H new ATOM 0 HA VAL A 10 0.309 12.545 -7.986 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.929 12.804 -8.835 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.205 13.219 -6.731 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.764 12.214 -6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.746 13.938 -6.008 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.253 14.892 -8.468 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.796 15.681 -7.818 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.847 15.173 -9.523 1.00 0.00 H new ATOM 151 N GLU A 11 1.086 15.106 -9.675 1.00 0.00 N ATOM 152 CA GLU A 11 1.574 15.608 -10.952 1.00 0.00 C ATOM 153 C GLU A 11 2.690 14.734 -11.527 1.00 0.00 C ATOM 154 O GLU A 11 3.050 14.878 -12.694 1.00 0.00 O ATOM 155 CB GLU A 11 2.078 17.040 -10.773 1.00 0.00 C ATOM 156 CG GLU A 11 0.965 17.941 -10.240 1.00 0.00 C ATOM 157 CD GLU A 11 1.441 19.386 -10.135 1.00 0.00 C ATOM 158 OE1 GLU A 11 2.022 19.733 -9.082 1.00 0.00 O ATOM 159 OE2 GLU A 11 1.219 20.141 -11.106 1.00 0.00 O ATOM 0 H GLU A 11 1.304 15.712 -8.884 1.00 0.00 H new ATOM 0 HA GLU A 11 0.745 15.584 -11.659 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.922 17.050 -10.084 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.440 17.425 -11.726 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.099 17.886 -10.900 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.643 17.588 -9.261 1.00 0.00 H new ATOM 166 N GLY A 12 3.246 13.827 -10.716 1.00 0.00 N ATOM 167 CA GLY A 12 4.298 12.931 -11.176 1.00 0.00 C ATOM 168 C GLY A 12 4.774 11.940 -10.112 1.00 0.00 C ATOM 169 O GLY A 12 5.832 11.336 -10.285 1.00 0.00 O ATOM 0 H GLY A 12 2.981 13.699 -9.739 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.936 12.375 -12.041 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.148 13.525 -11.512 1.00 0.00 H new ATOM 173 N MET A 13 4.022 11.761 -9.019 1.00 0.00 N ATOM 174 CA MET A 13 4.410 10.845 -7.958 1.00 0.00 C ATOM 175 C MET A 13 4.414 9.385 -8.424 1.00 0.00 C ATOM 176 O MET A 13 4.048 9.073 -9.557 1.00 0.00 O ATOM 177 CB MET A 13 3.481 10.996 -6.756 1.00 0.00 C ATOM 178 CG MET A 13 2.083 10.471 -7.069 1.00 0.00 C ATOM 179 SD MET A 13 1.066 10.055 -5.623 1.00 0.00 S ATOM 180 CE MET A 13 0.861 11.694 -4.893 1.00 0.00 C ATOM 0 H MET A 13 3.139 12.244 -8.853 1.00 0.00 H new ATOM 0 HA MET A 13 5.428 11.106 -7.671 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.893 10.455 -5.904 1.00 0.00 H new ATOM 0 HB3 MET A 13 3.422 12.046 -6.468 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.556 11.220 -7.660 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.178 9.582 -7.693 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.348 11.604 -3.935 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.840 12.149 -4.739 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.271 12.320 -5.563 1.00 0.00 H new ATOM 190 N THR A 14 4.830 8.486 -7.528 1.00 0.00 N ATOM 191 CA THR A 14 4.839 7.051 -7.779 1.00 0.00 C ATOM 192 C THR A 14 3.424 6.461 -7.839 1.00 0.00 C ATOM 193 O THR A 14 3.219 5.430 -8.473 1.00 0.00 O ATOM 194 CB THR A 14 5.674 6.384 -6.679 1.00 0.00 C ATOM 195 OG1 THR A 14 7.026 6.707 -6.893 1.00 0.00 O ATOM 196 CG2 THR A 14 5.528 4.867 -6.687 1.00 0.00 C ATOM 0 H THR A 14 5.172 8.741 -6.601 1.00 0.00 H new ATOM 0 HA THR A 14 5.281 6.861 -8.757 1.00 0.00 H new ATOM 0 HB THR A 14 5.320 6.749 -5.715 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.418 7.042 -6.060 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.137 4.439 -5.891 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.483 4.601 -6.527 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.859 4.475 -7.648 1.00 0.00 H new ATOM 203 N SER A 15 2.451 7.109 -7.190 1.00 0.00 N ATOM 204 CA SER A 15 1.051 6.689 -7.164 1.00 0.00 C ATOM 205 C SER A 15 0.857 5.199 -6.877 1.00 0.00 C ATOM 206 O SER A 15 -0.038 4.575 -7.443 1.00 0.00 O ATOM 207 CB SER A 15 0.357 7.080 -8.474 1.00 0.00 C ATOM 208 OG SER A 15 0.340 8.483 -8.631 1.00 0.00 O ATOM 0 H SER A 15 2.622 7.961 -6.656 1.00 0.00 H new ATOM 0 HA SER A 15 0.590 7.216 -6.329 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.875 6.621 -9.316 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.663 6.696 -8.479 1.00 0.00 H new ATOM 0 HG SER A 15 -0.105 8.713 -9.473 1.00 0.00 H new ATOM 214 N LEU A 16 1.681 4.609 -6.007 1.00 0.00 N ATOM 215 CA LEU A 16 1.512 3.199 -5.663 1.00 0.00 C ATOM 216 C LEU A 16 0.188 3.040 -4.924 1.00 0.00 C ATOM 217 O LEU A 16 -0.090 3.812 -4.009 1.00 0.00 O ATOM 218 CB LEU A 16 2.729 2.741 -4.853 1.00 0.00 C ATOM 219 CG LEU A 16 2.665 1.380 -4.141 1.00 0.00 C ATOM 220 CD1 LEU A 16 1.759 1.395 -2.913 1.00 0.00 C ATOM 221 CD2 LEU A 16 2.266 0.256 -5.088 1.00 0.00 C ATOM 0 H LEU A 16 2.456 5.076 -5.537 1.00 0.00 H new ATOM 0 HA LEU A 16 1.465 2.562 -6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.587 2.724 -5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.930 3.501 -4.098 1.00 0.00 H new ATOM 0 HG LEU A 16 3.679 1.184 -3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.754 0.407 -2.453 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.130 2.128 -2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.745 1.661 -3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.234 -0.686 -4.541 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.282 0.466 -5.508 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.996 0.183 -5.894 1.00 0.00 H new ATOM 233 N LYS A 17 -0.620 2.048 -5.311 1.00 0.00 N ATOM 234 CA LYS A 17 -1.959 1.891 -4.761 1.00 0.00 C ATOM 235 C LYS A 17 -2.133 0.587 -3.998 1.00 0.00 C ATOM 236 O LYS A 17 -1.359 -0.356 -4.168 1.00 0.00 O ATOM 237 CB LYS A 17 -3.012 1.995 -5.872 1.00 0.00 C ATOM 238 CG LYS A 17 -2.890 0.827 -6.853 1.00 0.00 C ATOM 239 CD LYS A 17 -4.249 0.452 -7.433 1.00 0.00 C ATOM 240 CE LYS A 17 -4.108 -0.886 -8.164 1.00 0.00 C ATOM 241 NZ LYS A 17 -5.407 -1.572 -8.272 1.00 0.00 N ATOM 0 H LYS A 17 -0.365 1.344 -6.004 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.100 2.702 -4.047 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.010 2.003 -5.433 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.891 2.937 -6.406 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.209 1.096 -7.660 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.458 -0.035 -6.345 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.992 0.374 -6.639 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.595 1.225 -8.119 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.698 -0.718 -9.160 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.401 -1.522 -7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.254 -2.567 -8.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.901 -1.527 -7.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.985 -1.107 -9.001 1.00 0.00 H new ATOM 255 N VAL A 18 -3.167 0.551 -3.153 1.00 0.00 N ATOM 256 CA VAL A 18 -3.489 -0.637 -2.368 1.00 0.00 C ATOM 257 C VAL A 18 -4.966 -0.980 -2.502 1.00 0.00 C ATOM 258 O VAL A 18 -5.793 -0.082 -2.653 1.00 0.00 O ATOM 259 CB VAL A 18 -3.157 -0.422 -0.885 1.00 0.00 C ATOM 260 CG1 VAL A 18 -3.452 -1.693 -0.092 1.00 0.00 C ATOM 261 CG2 VAL A 18 -1.696 -0.033 -0.673 1.00 0.00 C ATOM 0 H VAL A 18 -3.797 1.338 -2.997 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.886 -1.460 -2.753 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.783 0.398 -0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.213 -1.530 0.959 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.508 -1.946 -0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.846 -2.512 -0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.508 0.109 0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.050 -0.824 -1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.486 0.895 -1.205 1.00 0.00 H new ATOM 271 N ASP A 19 -5.270 -2.282 -2.441 1.00 0.00 N ATOM 272 CA ASP A 19 -6.616 -2.840 -2.542 1.00 0.00 C ATOM 273 C ASP A 19 -6.705 -4.160 -1.768 1.00 0.00 C ATOM 274 O ASP A 19 -5.739 -4.561 -1.117 1.00 0.00 O ATOM 275 CB ASP A 19 -6.953 -3.102 -4.011 1.00 0.00 C ATOM 276 CG ASP A 19 -6.920 -1.829 -4.844 1.00 0.00 C ATOM 277 OD1 ASP A 19 -7.866 -1.021 -4.708 1.00 0.00 O ATOM 278 OD2 ASP A 19 -5.943 -1.681 -5.613 1.00 0.00 O ATOM 0 H ASP A 19 -4.556 -2.999 -2.315 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.322 -2.126 -2.118 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.245 -3.821 -4.422 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.943 -3.554 -4.080 1.00 0.00 H new ATOM 283 N ASN A 20 -7.867 -4.828 -1.848 1.00 0.00 N ATOM 284 CA ASN A 20 -8.093 -6.192 -1.372 1.00 0.00 C ATOM 285 C ASN A 20 -8.478 -6.265 0.108 1.00 0.00 C ATOM 286 O ASN A 20 -8.059 -7.180 0.818 1.00 0.00 O ATOM 287 CB ASN A 20 -6.895 -7.075 -1.707 1.00 0.00 C ATOM 288 CG ASN A 20 -7.233 -8.552 -1.678 1.00 0.00 C ATOM 289 OD1 ASN A 20 -8.348 -8.955 -2.001 1.00 0.00 O ATOM 290 ND2 ASN A 20 -6.263 -9.364 -1.290 1.00 0.00 N ATOM 0 H ASN A 20 -8.702 -4.413 -2.262 1.00 0.00 H new ATOM 0 HA ASN A 20 -8.962 -6.579 -1.904 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.519 -6.811 -2.696 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.092 -6.876 -0.997 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.426 -10.370 -1.250 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.353 -8.984 -1.031 1.00 0.00 H new ATOM 297 N LEU A 21 -9.278 -5.300 0.568 1.00 0.00 N ATOM 298 CA LEU A 21 -9.772 -5.247 1.932 1.00 0.00 C ATOM 299 C LEU A 21 -10.655 -6.465 2.185 1.00 0.00 C ATOM 300 O LEU A 21 -11.099 -7.130 1.249 1.00 0.00 O ATOM 301 CB LEU A 21 -10.596 -3.963 2.105 1.00 0.00 C ATOM 302 CG LEU A 21 -9.785 -2.661 2.179 1.00 0.00 C ATOM 303 CD1 LEU A 21 -9.388 -2.398 3.625 1.00 0.00 C ATOM 304 CD2 LEU A 21 -8.505 -2.658 1.340 1.00 0.00 C ATOM 0 H LEU A 21 -9.601 -4.525 -0.011 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.943 -5.248 2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.297 -3.887 1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.189 -4.053 3.015 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.438 -1.888 1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.812 -1.474 3.682 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.285 -2.305 4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.782 -3.226 3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.998 -1.700 1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.847 -3.459 1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.757 -2.813 0.291 1.00 0.00 H new ATOM 316 N THR A 22 -10.909 -6.750 3.457 1.00 0.00 N ATOM 317 CA THR A 22 -11.726 -7.871 3.881 1.00 0.00 C ATOM 318 C THR A 22 -12.969 -7.349 4.606 1.00 0.00 C ATOM 319 O THR A 22 -13.050 -6.162 4.921 1.00 0.00 O ATOM 320 CB THR A 22 -10.866 -8.764 4.779 1.00 0.00 C ATOM 321 OG1 THR A 22 -9.634 -9.028 4.144 1.00 0.00 O ATOM 322 CG2 THR A 22 -11.544 -10.098 5.066 1.00 0.00 C ATOM 0 H THR A 22 -10.545 -6.197 4.233 1.00 0.00 H new ATOM 0 HA THR A 22 -12.073 -8.458 3.031 1.00 0.00 H new ATOM 0 HB THR A 22 -10.718 -8.233 5.719 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.084 -9.598 4.721 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.901 -10.702 5.706 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.495 -9.922 5.569 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.721 -10.625 4.129 1.00 0.00 H new ATOM 329 N TYR A 23 -13.936 -8.233 4.875 1.00 0.00 N ATOM 330 CA TYR A 23 -15.193 -7.902 5.544 1.00 0.00 C ATOM 331 C TYR A 23 -15.003 -7.362 6.967 1.00 0.00 C ATOM 332 O TYR A 23 -15.984 -7.124 7.673 1.00 0.00 O ATOM 333 CB TYR A 23 -16.085 -9.144 5.564 1.00 0.00 C ATOM 334 CG TYR A 23 -15.544 -10.261 6.430 1.00 0.00 C ATOM 335 CD1 TYR A 23 -14.664 -11.208 5.886 1.00 0.00 C ATOM 336 CD2 TYR A 23 -15.926 -10.348 7.776 1.00 0.00 C ATOM 337 CE1 TYR A 23 -14.156 -12.239 6.688 1.00 0.00 C ATOM 338 CE2 TYR A 23 -15.421 -11.376 8.586 1.00 0.00 C ATOM 339 CZ TYR A 23 -14.528 -12.324 8.046 1.00 0.00 C ATOM 340 OH TYR A 23 -14.028 -13.315 8.836 1.00 0.00 O ATOM 0 H TYR A 23 -13.862 -9.220 4.627 1.00 0.00 H new ATOM 0 HA TYR A 23 -15.662 -7.097 4.978 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -17.076 -8.864 5.922 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -16.206 -9.511 4.545 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -14.377 -11.143 4.847 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -16.610 -9.622 8.190 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -13.480 -12.968 6.266 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -15.716 -11.441 9.623 1.00 0.00 H new ATOM 0 HH TYR A 23 -14.388 -13.223 9.743 1.00 0.00 H new ATOM 350 N ARG A 24 -13.750 -7.176 7.397 1.00 0.00 N ATOM 351 CA ARG A 24 -13.396 -6.769 8.751 1.00 0.00 C ATOM 352 C ARG A 24 -12.316 -5.689 8.733 1.00 0.00 C ATOM 353 O ARG A 24 -11.639 -5.475 9.737 1.00 0.00 O ATOM 354 CB ARG A 24 -12.943 -8.010 9.526 1.00 0.00 C ATOM 355 CG ARG A 24 -11.685 -8.609 8.890 1.00 0.00 C ATOM 356 CD ARG A 24 -11.421 -9.999 9.449 1.00 0.00 C ATOM 357 NE ARG A 24 -11.156 -9.965 10.894 1.00 0.00 N ATOM 358 CZ ARG A 24 -11.205 -11.039 11.689 1.00 0.00 C ATOM 359 NH1 ARG A 24 -11.501 -12.239 11.191 1.00 0.00 N ATOM 360 NH2 ARG A 24 -10.955 -10.918 12.990 1.00 0.00 N ATOM 0 H ARG A 24 -12.938 -7.309 6.794 1.00 0.00 H new ATOM 0 HA ARG A 24 -14.263 -6.333 9.247 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -12.742 -7.745 10.564 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.742 -8.752 9.535 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.806 -8.662 7.808 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.829 -7.963 9.084 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.281 -10.639 9.252 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.569 -10.442 8.934 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.920 -9.067 11.316 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.693 -12.345 10.195 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.536 -13.052 11.806 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.726 -10.005 13.382 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.993 -11.738 13.595 1.00 0.00 H new ATOM 374 N THR A 25 -12.148 -5.014 7.591 1.00 0.00 N ATOM 375 CA THR A 25 -11.125 -3.986 7.411 1.00 0.00 C ATOM 376 C THR A 25 -11.767 -2.672 6.964 1.00 0.00 C ATOM 377 O THR A 25 -12.938 -2.653 6.588 1.00 0.00 O ATOM 378 CB THR A 25 -10.080 -4.470 6.398 1.00 0.00 C ATOM 379 OG1 THR A 25 -9.851 -5.858 6.556 1.00 0.00 O ATOM 380 CG2 THR A 25 -8.742 -3.758 6.604 1.00 0.00 C ATOM 0 H THR A 25 -12.723 -5.169 6.763 1.00 0.00 H new ATOM 0 HA THR A 25 -10.623 -3.803 8.361 1.00 0.00 H new ATOM 0 HB THR A 25 -10.469 -4.251 5.404 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.184 -6.156 5.903 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.020 -4.121 5.872 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.878 -2.684 6.478 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.373 -3.961 7.609 1.00 0.00 H new ATOM 387 N SER A 26 -11.008 -1.575 7.006 1.00 0.00 N ATOM 388 CA SER A 26 -11.512 -0.234 6.734 1.00 0.00 C ATOM 389 C SER A 26 -10.381 0.644 6.195 1.00 0.00 C ATOM 390 O SER A 26 -9.217 0.267 6.308 1.00 0.00 O ATOM 391 CB SER A 26 -12.047 0.330 8.051 1.00 0.00 C ATOM 392 OG SER A 26 -10.992 0.476 8.977 1.00 0.00 O ATOM 0 H SER A 26 -10.014 -1.597 7.233 1.00 0.00 H new ATOM 0 HA SER A 26 -12.304 -0.259 5.985 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.524 1.294 7.876 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.810 -0.334 8.458 1.00 0.00 H new ATOM 0 HG SER A 26 -11.342 0.839 9.817 1.00 0.00 H new ATOM 398 N PRO A 27 -10.691 1.816 5.615 1.00 0.00 N ATOM 399 CA PRO A 27 -9.682 2.734 5.100 1.00 0.00 C ATOM 400 C PRO A 27 -8.904 3.353 6.252 1.00 0.00 C ATOM 401 O PRO A 27 -7.746 3.726 6.097 1.00 0.00 O ATOM 402 CB PRO A 27 -10.466 3.806 4.343 1.00 0.00 C ATOM 403 CG PRO A 27 -11.806 3.821 5.078 1.00 0.00 C ATOM 404 CD PRO A 27 -12.023 2.354 5.421 1.00 0.00 C ATOM 0 HA PRO A 27 -8.957 2.234 4.457 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.970 4.776 4.384 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.584 3.553 3.289 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.769 4.444 5.972 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.607 4.212 4.450 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.629 2.244 6.321 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.546 1.834 4.619 1.00 0.00 H new ATOM 412 N ASP A 28 -9.540 3.462 7.418 1.00 0.00 N ATOM 413 CA ASP A 28 -8.897 4.008 8.601 1.00 0.00 C ATOM 414 C ASP A 28 -7.805 3.054 9.081 1.00 0.00 C ATOM 415 O ASP A 28 -6.742 3.489 9.527 1.00 0.00 O ATOM 416 CB ASP A 28 -9.961 4.199 9.681 1.00 0.00 C ATOM 417 CG ASP A 28 -10.938 5.310 9.302 1.00 0.00 C ATOM 418 OD1 ASP A 28 -10.546 6.492 9.444 1.00 0.00 O ATOM 419 OD2 ASP A 28 -12.066 4.975 8.879 1.00 0.00 O ATOM 0 H ASP A 28 -10.508 3.175 7.563 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.432 4.968 8.374 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.506 3.266 9.828 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.481 4.441 10.629 1.00 0.00 H new ATOM 424 N THR A 29 -8.057 1.746 8.985 1.00 0.00 N ATOM 425 CA THR A 29 -7.037 0.765 9.316 1.00 0.00 C ATOM 426 C THR A 29 -5.984 0.758 8.219 1.00 0.00 C ATOM 427 O THR A 29 -4.793 0.723 8.501 1.00 0.00 O ATOM 428 CB THR A 29 -7.656 -0.631 9.442 1.00 0.00 C ATOM 429 OG1 THR A 29 -8.597 -0.655 10.491 1.00 0.00 O ATOM 430 CG2 THR A 29 -6.553 -1.648 9.734 1.00 0.00 C ATOM 0 H THR A 29 -8.948 1.352 8.684 1.00 0.00 H new ATOM 0 HA THR A 29 -6.582 1.030 10.270 1.00 0.00 H new ATOM 0 HB THR A 29 -8.158 -0.882 8.507 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.451 -0.295 10.172 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.990 -2.643 9.824 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.828 -1.643 8.920 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.053 -1.385 10.666 1.00 0.00 H new ATOM 437 N LEU A 30 -6.418 0.794 6.958 1.00 0.00 N ATOM 438 CA LEU A 30 -5.506 0.784 5.829 1.00 0.00 C ATOM 439 C LEU A 30 -4.535 1.959 5.899 1.00 0.00 C ATOM 440 O LEU A 30 -3.482 1.923 5.265 1.00 0.00 O ATOM 441 CB LEU A 30 -6.330 0.822 4.534 1.00 0.00 C ATOM 442 CG LEU A 30 -6.113 -0.386 3.619 1.00 0.00 C ATOM 443 CD1 LEU A 30 -4.754 -0.316 2.939 1.00 0.00 C ATOM 444 CD2 LEU A 30 -6.217 -1.707 4.377 1.00 0.00 C ATOM 0 H LEU A 30 -7.404 0.831 6.699 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.906 -0.126 5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.388 0.884 4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.081 1.730 3.984 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.904 -0.351 2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.624 -1.186 2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.694 0.592 2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.969 -0.305 3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.056 -2.536 3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.462 -1.736 5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.208 -1.793 4.823 1.00 0.00 H new ATOM 456 N ARG A 31 -4.869 3.002 6.665 1.00 0.00 N ATOM 457 CA ARG A 31 -3.995 4.149 6.821 1.00 0.00 C ATOM 458 C ARG A 31 -2.933 3.846 7.861 1.00 0.00 C ATOM 459 O ARG A 31 -1.750 3.955 7.568 1.00 0.00 O ATOM 460 CB ARG A 31 -4.819 5.363 7.249 1.00 0.00 C ATOM 461 CG ARG A 31 -3.946 6.594 7.519 1.00 0.00 C ATOM 462 CD ARG A 31 -3.071 6.970 6.320 1.00 0.00 C ATOM 463 NE ARG A 31 -2.236 8.134 6.636 1.00 0.00 N ATOM 464 CZ ARG A 31 -2.220 9.287 5.963 1.00 0.00 C ATOM 465 NH1 ARG A 31 -3.002 9.486 4.906 1.00 0.00 N ATOM 466 NH2 ARG A 31 -1.401 10.254 6.362 1.00 0.00 N ATOM 0 H ARG A 31 -5.744 3.067 7.185 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.506 4.366 5.871 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.545 5.599 6.471 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.384 5.117 8.148 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.585 7.439 7.777 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.309 6.401 8.382 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.439 6.126 6.045 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.701 7.190 5.458 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.613 8.056 7.440 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.633 8.748 4.592 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.971 10.376 4.409 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.797 10.109 7.171 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.376 11.141 5.859 1.00 0.00 H new ATOM 480 N ARG A 32 -3.332 3.466 9.079 1.00 0.00 N ATOM 481 CA ARG A 32 -2.366 3.215 10.146 1.00 0.00 C ATOM 482 C ARG A 32 -1.534 1.960 9.882 1.00 0.00 C ATOM 483 O ARG A 32 -0.586 1.688 10.618 1.00 0.00 O ATOM 484 CB ARG A 32 -3.096 3.155 11.493 1.00 0.00 C ATOM 485 CG ARG A 32 -4.065 1.977 11.618 1.00 0.00 C ATOM 486 CD ARG A 32 -3.400 0.706 12.155 1.00 0.00 C ATOM 487 NE ARG A 32 -3.080 0.828 13.588 1.00 0.00 N ATOM 488 CZ ARG A 32 -1.849 0.922 14.104 1.00 0.00 C ATOM 489 NH1 ARG A 32 -0.768 0.953 13.329 1.00 0.00 N ATOM 490 NH2 ARG A 32 -1.700 0.991 15.425 1.00 0.00 N ATOM 0 H ARG A 32 -4.307 3.327 9.346 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.655 4.040 10.175 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.358 3.093 12.293 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.647 4.084 11.639 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.885 2.258 12.279 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.500 1.767 10.641 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.062 -0.146 12.000 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.488 0.506 11.593 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.863 0.842 14.242 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.866 0.905 12.315 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.159 1.025 13.749 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.519 0.972 16.032 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.767 1.063 15.830 1.00 0.00 H new ATOM 504 N VAL A 33 -1.880 1.195 8.845 1.00 0.00 N ATOM 505 CA VAL A 33 -1.168 -0.022 8.475 1.00 0.00 C ATOM 506 C VAL A 33 -0.180 0.242 7.344 1.00 0.00 C ATOM 507 O VAL A 33 0.862 -0.404 7.279 1.00 0.00 O ATOM 508 CB VAL A 33 -2.194 -1.078 8.058 1.00 0.00 C ATOM 509 CG1 VAL A 33 -1.519 -2.302 7.450 1.00 0.00 C ATOM 510 CG2 VAL A 33 -2.998 -1.524 9.281 1.00 0.00 C ATOM 0 H VAL A 33 -2.670 1.408 8.235 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.594 -0.379 9.330 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.847 -0.629 7.310 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.277 -3.032 7.165 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.952 -2.004 6.568 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.844 -2.747 8.182 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.728 -2.276 8.982 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.324 -1.949 10.025 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.516 -0.666 9.709 1.00 0.00 H new ATOM 520 N PHE A 34 -0.490 1.189 6.454 1.00 0.00 N ATOM 521 CA PHE A 34 0.400 1.537 5.355 1.00 0.00 C ATOM 522 C PHE A 34 1.159 2.839 5.615 1.00 0.00 C ATOM 523 O PHE A 34 2.094 3.160 4.885 1.00 0.00 O ATOM 524 CB PHE A 34 -0.411 1.575 4.062 1.00 0.00 C ATOM 525 CG PHE A 34 -0.531 0.215 3.416 1.00 0.00 C ATOM 526 CD1 PHE A 34 -1.515 -0.677 3.860 1.00 0.00 C ATOM 527 CD2 PHE A 34 0.341 -0.173 2.386 1.00 0.00 C ATOM 528 CE1 PHE A 34 -1.650 -1.937 3.265 1.00 0.00 C ATOM 529 CE2 PHE A 34 0.219 -1.442 1.798 1.00 0.00 C ATOM 530 CZ PHE A 34 -0.782 -2.319 2.232 1.00 0.00 C ATOM 0 H PHE A 34 -1.356 1.728 6.478 1.00 0.00 H new ATOM 0 HA PHE A 34 1.173 0.774 5.262 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.408 1.963 4.273 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.059 2.266 3.362 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.174 -0.391 4.667 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.108 0.507 2.045 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.422 -2.614 3.601 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.896 -1.741 1.012 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.886 -3.290 1.771 1.00 0.00 H new ATOM 540 N GLU A 35 0.774 3.598 6.644 1.00 0.00 N ATOM 541 CA GLU A 35 1.479 4.821 7.000 1.00 0.00 C ATOM 542 C GLU A 35 2.827 4.505 7.649 1.00 0.00 C ATOM 543 O GLU A 35 3.737 5.329 7.600 1.00 0.00 O ATOM 544 CB GLU A 35 0.600 5.635 7.952 1.00 0.00 C ATOM 545 CG GLU A 35 1.298 6.892 8.468 1.00 0.00 C ATOM 546 CD GLU A 35 0.314 7.802 9.199 1.00 0.00 C ATOM 547 OE1 GLU A 35 0.135 7.602 10.423 1.00 0.00 O ATOM 548 OE2 GLU A 35 -0.254 8.691 8.525 1.00 0.00 O ATOM 0 H GLU A 35 -0.023 3.383 7.243 1.00 0.00 H new ATOM 0 HA GLU A 35 1.678 5.400 6.098 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.319 5.919 7.439 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.312 5.011 8.798 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.109 6.612 9.141 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.747 7.431 7.634 1.00 0.00 H new ATOM 555 N LYS A 36 2.967 3.321 8.258 1.00 0.00 N ATOM 556 CA LYS A 36 4.199 2.960 8.953 1.00 0.00 C ATOM 557 C LYS A 36 5.365 2.758 7.983 1.00 0.00 C ATOM 558 O LYS A 36 6.522 2.889 8.380 1.00 0.00 O ATOM 559 CB LYS A 36 3.960 1.704 9.794 1.00 0.00 C ATOM 560 CG LYS A 36 3.727 0.449 8.951 1.00 0.00 C ATOM 561 CD LYS A 36 3.340 -0.699 9.885 1.00 0.00 C ATOM 562 CE LYS A 36 3.186 -2.004 9.104 1.00 0.00 C ATOM 563 NZ LYS A 36 4.491 -2.496 8.611 1.00 0.00 N ATOM 0 H LYS A 36 2.243 2.603 8.281 1.00 0.00 H new ATOM 0 HA LYS A 36 4.477 3.785 9.609 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.819 1.542 10.445 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.097 1.866 10.439 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.938 0.625 8.220 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.628 0.195 8.392 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.101 -0.819 10.656 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.406 -0.461 10.393 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.728 -2.760 9.742 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.512 -1.848 8.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.506 -2.459 7.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.253 -1.898 8.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.633 -3.477 8.925 1.00 0.00 H new ATOM 577 N TYR A 37 5.066 2.441 6.723 1.00 0.00 N ATOM 578 CA TYR A 37 6.083 2.276 5.692 1.00 0.00 C ATOM 579 C TYR A 37 6.674 3.619 5.268 1.00 0.00 C ATOM 580 O TYR A 37 7.762 3.656 4.696 1.00 0.00 O ATOM 581 CB TYR A 37 5.480 1.554 4.486 1.00 0.00 C ATOM 582 CG TYR A 37 5.104 0.127 4.800 1.00 0.00 C ATOM 583 CD1 TYR A 37 3.850 -0.158 5.360 1.00 0.00 C ATOM 584 CD2 TYR A 37 6.011 -0.907 4.535 1.00 0.00 C ATOM 585 CE1 TYR A 37 3.510 -1.480 5.676 1.00 0.00 C ATOM 586 CE2 TYR A 37 5.675 -2.232 4.850 1.00 0.00 C ATOM 587 CZ TYR A 37 4.425 -2.522 5.430 1.00 0.00 C ATOM 588 OH TYR A 37 4.114 -3.804 5.758 1.00 0.00 O ATOM 0 H TYR A 37 4.113 2.292 6.392 1.00 0.00 H new ATOM 0 HA TYR A 37 6.895 1.677 6.105 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.596 2.094 4.147 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.195 1.566 3.664 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.147 0.641 5.547 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.969 -0.684 4.088 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.545 -1.700 6.109 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.375 -3.029 4.648 1.00 0.00 H new ATOM 0 HH TYR A 37 3.141 -3.919 5.741 1.00 0.00 H new ATOM 598 N GLY A 38 5.972 4.726 5.541 1.00 0.00 N ATOM 599 CA GLY A 38 6.504 6.050 5.256 1.00 0.00 C ATOM 600 C GLY A 38 5.417 7.116 5.313 1.00 0.00 C ATOM 601 O GLY A 38 5.255 7.786 6.332 1.00 0.00 O ATOM 0 H GLY A 38 5.040 4.724 5.956 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.288 6.290 5.974 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.965 6.052 4.268 1.00 0.00 H new ATOM 605 N ARG A 39 4.673 7.271 4.212 1.00 0.00 N ATOM 606 CA ARG A 39 3.571 8.217 4.129 1.00 0.00 C ATOM 607 C ARG A 39 2.600 7.826 3.027 1.00 0.00 C ATOM 608 O ARG A 39 2.920 7.011 2.164 1.00 0.00 O ATOM 609 CB ARG A 39 4.110 9.633 3.910 1.00 0.00 C ATOM 610 CG ARG A 39 5.094 9.720 2.741 1.00 0.00 C ATOM 611 CD ARG A 39 5.444 11.190 2.481 1.00 0.00 C ATOM 612 NE ARG A 39 6.209 11.764 3.596 1.00 0.00 N ATOM 613 CZ ARG A 39 7.532 11.651 3.735 1.00 0.00 C ATOM 614 NH1 ARG A 39 8.258 10.994 2.835 1.00 0.00 N ATOM 615 NH2 ARG A 39 8.141 12.200 4.784 1.00 0.00 N ATOM 0 H ARG A 39 4.824 6.739 3.355 1.00 0.00 H new ATOM 0 HA ARG A 39 3.024 8.197 5.072 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.276 10.310 3.727 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.604 9.974 4.820 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.997 9.154 2.968 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.655 9.275 1.848 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.023 11.271 1.561 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.529 11.763 2.333 1.00 0.00 H new ATOM 0 HE ARG A 39 5.697 12.282 4.310 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.805 10.569 2.026 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.268 10.915 2.954 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.597 12.707 5.482 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.152 12.113 4.890 1.00 0.00 H new ATOM 629 N VAL A 40 1.410 8.426 3.073 1.00 0.00 N ATOM 630 CA VAL A 40 0.314 8.117 2.170 1.00 0.00 C ATOM 631 C VAL A 40 -0.295 9.430 1.698 1.00 0.00 C ATOM 632 O VAL A 40 -0.459 10.356 2.491 1.00 0.00 O ATOM 633 CB VAL A 40 -0.722 7.273 2.923 1.00 0.00 C ATOM 634 CG1 VAL A 40 -1.944 6.985 2.055 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.122 5.938 3.362 1.00 0.00 C ATOM 0 H VAL A 40 1.182 9.152 3.752 1.00 0.00 H new ATOM 0 HA VAL A 40 0.660 7.551 1.305 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.024 7.852 3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.658 6.385 2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.412 7.925 1.762 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.636 6.439 1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.876 5.358 3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.211 5.383 2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.727 6.120 4.021 1.00 0.00 H new ATOM 645 N GLY A 41 -0.629 9.511 0.409 1.00 0.00 N ATOM 646 CA GLY A 41 -1.190 10.723 -0.170 1.00 0.00 C ATOM 647 C GLY A 41 -2.709 10.653 -0.180 1.00 0.00 C ATOM 648 O GLY A 41 -3.378 11.687 -0.199 1.00 0.00 O ATOM 0 H GLY A 41 -0.518 8.744 -0.254 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.864 11.592 0.402 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.819 10.853 -1.187 1.00 0.00 H new ATOM 652 N ASP A 42 -3.259 9.434 -0.164 1.00 0.00 N ATOM 653 CA ASP A 42 -4.693 9.231 -0.079 1.00 0.00 C ATOM 654 C ASP A 42 -5.005 7.794 0.332 1.00 0.00 C ATOM 655 O ASP A 42 -4.197 6.895 0.120 1.00 0.00 O ATOM 656 CB ASP A 42 -5.326 9.529 -1.440 1.00 0.00 C ATOM 657 CG ASP A 42 -6.846 9.424 -1.379 1.00 0.00 C ATOM 658 OD1 ASP A 42 -7.416 9.886 -0.366 1.00 0.00 O ATOM 659 OD2 ASP A 42 -7.428 8.890 -2.346 1.00 0.00 O ATOM 0 H ASP A 42 -2.718 8.570 -0.210 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.104 9.904 0.674 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.041 10.530 -1.765 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.941 8.831 -2.183 1.00 0.00 H new ATOM 664 N VAL A 43 -6.187 7.603 0.914 1.00 0.00 N ATOM 665 CA VAL A 43 -6.720 6.312 1.329 1.00 0.00 C ATOM 666 C VAL A 43 -8.241 6.456 1.289 1.00 0.00 C ATOM 667 O VAL A 43 -8.820 7.199 2.079 1.00 0.00 O ATOM 668 CB VAL A 43 -6.159 5.925 2.700 1.00 0.00 C ATOM 669 CG1 VAL A 43 -6.264 7.053 3.726 1.00 0.00 C ATOM 670 CG2 VAL A 43 -6.845 4.675 3.250 1.00 0.00 C ATOM 0 H VAL A 43 -6.823 8.375 1.116 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.424 5.494 0.672 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.101 5.718 2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.850 6.719 4.678 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.706 7.920 3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.311 7.326 3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.423 4.427 4.224 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.914 4.862 3.354 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.688 3.842 2.564 1.00 0.00 H new ATOM 680 N TYR A 44 -8.890 5.748 0.363 1.00 0.00 N ATOM 681 CA TYR A 44 -10.272 6.035 0.022 1.00 0.00 C ATOM 682 C TYR A 44 -11.052 4.791 -0.416 1.00 0.00 C ATOM 683 O TYR A 44 -10.470 3.786 -0.827 1.00 0.00 O ATOM 684 CB TYR A 44 -10.138 7.059 -1.104 1.00 0.00 C ATOM 685 CG TYR A 44 -11.394 7.592 -1.739 1.00 0.00 C ATOM 686 CD1 TYR A 44 -12.549 7.839 -0.982 1.00 0.00 C ATOM 687 CD2 TYR A 44 -11.372 7.851 -3.113 1.00 0.00 C ATOM 688 CE1 TYR A 44 -13.699 8.333 -1.614 1.00 0.00 C ATOM 689 CE2 TYR A 44 -12.509 8.372 -3.750 1.00 0.00 C ATOM 690 CZ TYR A 44 -13.680 8.606 -2.999 1.00 0.00 C ATOM 691 OH TYR A 44 -14.792 9.101 -3.608 1.00 0.00 O ATOM 0 H TYR A 44 -8.477 4.975 -0.159 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.845 6.402 0.874 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.576 7.908 -0.715 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.533 6.610 -1.891 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -12.552 7.650 0.081 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -10.478 7.650 -3.685 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -14.599 8.505 -1.042 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -12.488 8.592 -4.807 1.00 0.00 H new ATOM 0 HH TYR A 44 -14.611 9.234 -4.562 1.00 0.00 H new ATOM 701 N ILE A 45 -12.387 4.882 -0.324 1.00 0.00 N ATOM 702 CA ILE A 45 -13.311 3.796 -0.641 1.00 0.00 C ATOM 703 C ILE A 45 -14.268 4.263 -1.742 1.00 0.00 C ATOM 704 O ILE A 45 -15.296 4.867 -1.445 1.00 0.00 O ATOM 705 CB ILE A 45 -14.112 3.362 0.599 1.00 0.00 C ATOM 706 CG1 ILE A 45 -13.245 3.096 1.838 1.00 0.00 C ATOM 707 CG2 ILE A 45 -14.925 2.110 0.256 1.00 0.00 C ATOM 708 CD1 ILE A 45 -12.480 1.778 1.748 1.00 0.00 C ATOM 0 H ILE A 45 -12.859 5.733 -0.020 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.735 2.936 -0.982 1.00 0.00 H new ATOM 0 HB ILE A 45 -14.764 4.195 0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -12.537 3.915 1.964 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -13.879 3.084 2.725 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -15.496 1.796 1.130 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -15.609 2.333 -0.563 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -14.250 1.308 -0.044 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -11.884 1.641 2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.186 0.953 1.651 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -11.823 1.797 0.878 1.00 0.00 H new ATOM 720 N PRO A 46 -13.950 3.996 -3.014 1.00 0.00 N ATOM 721 CA PRO A 46 -14.746 4.391 -4.164 1.00 0.00 C ATOM 722 C PRO A 46 -16.009 3.535 -4.326 1.00 0.00 C ATOM 723 O PRO A 46 -16.451 3.275 -5.444 1.00 0.00 O ATOM 724 CB PRO A 46 -13.804 4.247 -5.359 1.00 0.00 C ATOM 725 CG PRO A 46 -12.913 3.086 -4.947 1.00 0.00 C ATOM 726 CD PRO A 46 -12.753 3.292 -3.439 1.00 0.00 C ATOM 0 HA PRO A 46 -15.121 5.409 -4.058 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.348 4.033 -6.279 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.229 5.157 -5.533 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.372 2.124 -5.176 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.953 3.112 -5.462 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -12.654 2.338 -2.921 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -11.857 3.871 -3.215 1.00 0.00 H new ATOM 734 N ARG A 47 -16.604 3.083 -3.215 1.00 0.00 N ATOM 735 CA ARG A 47 -17.889 2.398 -3.270 1.00 0.00 C ATOM 736 C ARG A 47 -18.958 3.381 -3.751 1.00 0.00 C ATOM 737 O ARG A 47 -18.739 4.594 -3.737 1.00 0.00 O ATOM 738 CB ARG A 47 -18.241 1.820 -1.894 1.00 0.00 C ATOM 739 CG ARG A 47 -18.480 2.917 -0.853 1.00 0.00 C ATOM 740 CD ARG A 47 -18.821 2.273 0.493 1.00 0.00 C ATOM 741 NE ARG A 47 -19.078 3.296 1.510 1.00 0.00 N ATOM 742 CZ ARG A 47 -19.486 3.030 2.756 1.00 0.00 C ATOM 743 NH1 ARG A 47 -19.693 1.774 3.151 1.00 0.00 N ATOM 744 NH2 ARG A 47 -19.690 4.019 3.619 1.00 0.00 N ATOM 0 H ARG A 47 -16.215 3.181 -2.277 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.836 1.566 -3.972 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.134 1.201 -1.979 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -17.433 1.170 -1.557 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.592 3.541 -0.756 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -19.293 3.568 -1.174 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -19.698 1.634 0.384 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -17.999 1.634 0.814 1.00 0.00 H new ATOM 0 HE ARG A 47 -18.937 4.273 1.252 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -19.540 1.003 2.501 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -20.004 1.584 4.104 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -19.536 4.986 3.333 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -20.001 3.812 4.568 1.00 0.00 H new ATOM 758 N ASP A 48 -20.116 2.871 -4.175 1.00 0.00 N ATOM 759 CA ASP A 48 -21.216 3.723 -4.601 1.00 0.00 C ATOM 760 C ASP A 48 -21.609 4.643 -3.448 1.00 0.00 C ATOM 761 O ASP A 48 -22.147 4.201 -2.433 1.00 0.00 O ATOM 762 CB ASP A 48 -22.384 2.875 -5.090 1.00 0.00 C ATOM 763 CG ASP A 48 -22.090 2.213 -6.437 1.00 0.00 C ATOM 764 OD1 ASP A 48 -20.990 1.635 -6.580 1.00 0.00 O ATOM 765 OD2 ASP A 48 -22.970 2.294 -7.323 1.00 0.00 O ATOM 0 H ASP A 48 -20.311 1.871 -4.231 1.00 0.00 H new ATOM 0 HA ASP A 48 -20.907 4.346 -5.441 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -22.608 2.107 -4.350 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -23.273 3.500 -5.180 1.00 0.00 H new ATOM 770 N ARG A 49 -21.331 5.939 -3.615 1.00 0.00 N ATOM 771 CA ARG A 49 -21.416 6.939 -2.560 1.00 0.00 C ATOM 772 C ARG A 49 -22.850 7.301 -2.156 1.00 0.00 C ATOM 773 O ARG A 49 -23.053 8.253 -1.401 1.00 0.00 O ATOM 774 CB ARG A 49 -20.574 8.143 -2.997 1.00 0.00 C ATOM 775 CG ARG A 49 -21.294 9.108 -3.929 1.00 0.00 C ATOM 776 CD ARG A 49 -20.297 10.072 -4.573 1.00 0.00 C ATOM 777 NE ARG A 49 -19.301 10.582 -3.619 1.00 0.00 N ATOM 778 CZ ARG A 49 -19.262 11.833 -3.146 1.00 0.00 C ATOM 779 NH1 ARG A 49 -20.204 12.722 -3.450 1.00 0.00 N ATOM 780 NH2 ARG A 49 -18.270 12.210 -2.349 1.00 0.00 N ATOM 0 H ARG A 49 -21.034 6.326 -4.511 1.00 0.00 H new ATOM 0 HA ARG A 49 -21.011 6.525 -1.637 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -20.251 8.687 -2.109 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -19.674 7.781 -3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -21.822 8.550 -4.703 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -22.044 9.669 -3.372 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -19.784 9.565 -5.390 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -20.839 10.911 -5.009 1.00 0.00 H new ATOM 0 HE ARG A 49 -18.585 9.933 -3.293 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -20.979 12.456 -4.057 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -20.151 13.670 -3.076 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.538 11.546 -2.097 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.240 13.164 -1.988 1.00 0.00 H new ATOM 794 N TYR A 50 -23.835 6.553 -2.656 1.00 0.00 N ATOM 795 CA TYR A 50 -25.254 6.763 -2.366 1.00 0.00 C ATOM 796 C TYR A 50 -26.025 5.435 -2.293 1.00 0.00 C ATOM 797 O TYR A 50 -27.226 5.450 -2.035 1.00 0.00 O ATOM 798 CB TYR A 50 -25.842 7.664 -3.451 1.00 0.00 C ATOM 799 CG TYR A 50 -25.351 7.239 -4.810 1.00 0.00 C ATOM 800 CD1 TYR A 50 -26.008 6.228 -5.517 1.00 0.00 C ATOM 801 CD2 TYR A 50 -24.202 7.835 -5.336 1.00 0.00 C ATOM 802 CE1 TYR A 50 -25.474 5.753 -6.720 1.00 0.00 C ATOM 803 CE2 TYR A 50 -23.640 7.361 -6.529 1.00 0.00 C ATOM 804 CZ TYR A 50 -24.282 6.318 -7.235 1.00 0.00 C ATOM 805 OH TYR A 50 -23.754 5.862 -8.403 1.00 0.00 O ATOM 0 H TYR A 50 -23.665 5.769 -3.286 1.00 0.00 H new ATOM 0 HA TYR A 50 -25.349 7.237 -1.389 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -26.931 7.618 -3.420 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -25.561 8.700 -3.264 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -26.929 5.813 -5.134 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -23.744 8.666 -4.820 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -25.970 4.957 -7.255 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -22.723 7.789 -6.906 1.00 0.00 H new ATOM 0 HH TYR A 50 -22.936 6.361 -8.609 1.00 0.00 H new ATOM 815 N THR A 51 -25.355 4.298 -2.511 1.00 0.00 N ATOM 816 CA THR A 51 -25.952 2.979 -2.290 1.00 0.00 C ATOM 817 C THR A 51 -25.095 2.166 -1.325 1.00 0.00 C ATOM 818 O THR A 51 -25.503 1.085 -0.898 1.00 0.00 O ATOM 819 CB THR A 51 -26.122 2.191 -3.585 1.00 0.00 C ATOM 820 OG1 THR A 51 -24.880 1.678 -4.000 1.00 0.00 O ATOM 821 CG2 THR A 51 -26.683 3.049 -4.708 1.00 0.00 C ATOM 0 H THR A 51 -24.391 4.267 -2.843 1.00 0.00 H new ATOM 0 HA THR A 51 -26.942 3.151 -1.867 1.00 0.00 H new ATOM 0 HB THR A 51 -26.826 1.385 -3.377 1.00 0.00 H new ATOM 0 HG1 THR A 51 -25.014 0.814 -4.442 1.00 0.00 H new ATOM 0 HG21 THR A 51 -26.787 2.446 -5.610 1.00 0.00 H new ATOM 0 HG22 THR A 51 -27.659 3.437 -4.417 1.00 0.00 H new ATOM 0 HG23 THR A 51 -26.006 3.880 -4.904 1.00 0.00 H new ATOM 828 N LYS A 52 -23.911 2.701 -0.996 1.00 0.00 N ATOM 829 CA LYS A 52 -22.891 2.121 -0.129 1.00 0.00 C ATOM 830 C LYS A 52 -22.560 0.670 -0.477 1.00 0.00 C ATOM 831 O LYS A 52 -22.023 -0.057 0.357 1.00 0.00 O ATOM 832 CB LYS A 52 -23.181 2.351 1.361 1.00 0.00 C ATOM 833 CG LYS A 52 -24.412 1.615 1.904 1.00 0.00 C ATOM 834 CD LYS A 52 -25.645 2.523 1.930 1.00 0.00 C ATOM 835 CE LYS A 52 -26.847 1.717 2.415 1.00 0.00 C ATOM 836 NZ LYS A 52 -28.065 2.549 2.438 1.00 0.00 N ATOM 0 H LYS A 52 -23.627 3.612 -1.356 1.00 0.00 H new ATOM 0 HA LYS A 52 -21.972 2.671 -0.332 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -22.309 2.042 1.937 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -23.312 3.420 1.529 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -24.616 0.741 1.286 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -24.205 1.252 2.911 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -25.472 3.374 2.589 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -25.838 2.924 0.935 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -27.001 0.858 1.762 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -26.649 1.327 3.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -28.869 1.979 2.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -27.923 3.355 3.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -28.264 2.900 1.479 1.00 0.00 H new ATOM 850 N GLU A 53 -22.878 0.250 -1.704 1.00 0.00 N ATOM 851 CA GLU A 53 -22.511 -1.058 -2.215 1.00 0.00 C ATOM 852 C GLU A 53 -20.995 -1.139 -2.338 1.00 0.00 C ATOM 853 O GLU A 53 -20.399 -0.599 -3.270 1.00 0.00 O ATOM 854 CB GLU A 53 -23.193 -1.312 -3.559 1.00 0.00 C ATOM 855 CG GLU A 53 -24.667 -1.608 -3.304 1.00 0.00 C ATOM 856 CD GLU A 53 -25.384 -1.968 -4.603 1.00 0.00 C ATOM 857 OE1 GLU A 53 -25.761 -1.028 -5.336 1.00 0.00 O ATOM 858 OE2 GLU A 53 -25.552 -3.183 -4.853 1.00 0.00 O ATOM 0 H GLU A 53 -23.402 0.818 -2.370 1.00 0.00 H new ATOM 0 HA GLU A 53 -22.847 -1.832 -1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.088 -0.442 -4.208 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.721 -2.151 -4.071 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -24.759 -2.429 -2.594 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -25.143 -0.739 -2.850 1.00 0.00 H new ATOM 865 N SER A 54 -20.394 -1.825 -1.365 1.00 0.00 N ATOM 866 CA SER A 54 -18.962 -2.023 -1.261 1.00 0.00 C ATOM 867 C SER A 54 -18.373 -2.687 -2.506 1.00 0.00 C ATOM 868 O SER A 54 -19.100 -3.218 -3.349 1.00 0.00 O ATOM 869 CB SER A 54 -18.702 -2.878 -0.019 1.00 0.00 C ATOM 870 OG SER A 54 -17.315 -3.054 0.174 1.00 0.00 O ATOM 0 H SER A 54 -20.914 -2.269 -0.608 1.00 0.00 H new ATOM 0 HA SER A 54 -18.472 -1.053 -1.177 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.140 -2.401 0.857 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.187 -3.848 -0.129 1.00 0.00 H new ATOM 0 HG SER A 54 -17.163 -3.601 0.973 1.00 0.00 H new ATOM 876 N ARG A 55 -17.043 -2.653 -2.612 1.00 0.00 N ATOM 877 CA ARG A 55 -16.303 -3.194 -3.749 1.00 0.00 C ATOM 878 C ARG A 55 -15.171 -4.099 -3.275 1.00 0.00 C ATOM 879 O ARG A 55 -14.487 -4.705 -4.097 1.00 0.00 O ATOM 880 CB ARG A 55 -15.781 -2.041 -4.611 1.00 0.00 C ATOM 881 CG ARG A 55 -16.906 -1.163 -5.166 1.00 0.00 C ATOM 882 CD ARG A 55 -17.781 -1.940 -6.157 1.00 0.00 C ATOM 883 NE ARG A 55 -18.861 -1.102 -6.681 1.00 0.00 N ATOM 884 CZ ARG A 55 -19.558 -1.376 -7.787 1.00 0.00 C ATOM 885 NH1 ARG A 55 -19.304 -2.474 -8.497 1.00 0.00 N ATOM 886 NH2 ARG A 55 -20.518 -0.549 -8.188 1.00 0.00 N ATOM 0 H ARG A 55 -16.442 -2.242 -1.898 1.00 0.00 H new ATOM 0 HA ARG A 55 -16.969 -3.806 -4.357 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -15.105 -1.426 -4.017 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -15.199 -2.446 -5.439 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -17.521 -0.795 -4.345 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -16.479 -0.291 -5.661 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -17.167 -2.303 -6.981 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -18.203 -2.816 -5.664 1.00 0.00 H new ATOM 0 HE ARG A 55 -19.097 -0.253 -6.168 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -18.570 -3.116 -8.198 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -19.843 -2.672 -9.340 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -20.722 0.294 -7.651 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -21.051 -0.757 -9.032 1.00 0.00 H new ATOM 900 N GLY A 56 -14.965 -4.200 -1.959 1.00 0.00 N ATOM 901 CA GLY A 56 -13.979 -5.106 -1.389 1.00 0.00 C ATOM 902 C GLY A 56 -12.564 -4.532 -1.392 1.00 0.00 C ATOM 903 O GLY A 56 -11.608 -5.292 -1.246 1.00 0.00 O ATOM 0 H GLY A 56 -15.478 -3.656 -1.265 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.265 -5.346 -0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.986 -6.041 -1.950 1.00 0.00 H new ATOM 907 N PHE A 57 -12.400 -3.214 -1.558 1.00 0.00 N ATOM 908 CA PHE A 57 -11.079 -2.611 -1.562 1.00 0.00 C ATOM 909 C PHE A 57 -11.124 -1.151 -1.132 1.00 0.00 C ATOM 910 O PHE A 57 -12.192 -0.562 -0.971 1.00 0.00 O ATOM 911 CB PHE A 57 -10.446 -2.763 -2.950 1.00 0.00 C ATOM 912 CG PHE A 57 -11.194 -2.133 -4.103 1.00 0.00 C ATOM 913 CD1 PHE A 57 -11.015 -0.775 -4.401 1.00 0.00 C ATOM 914 CD2 PHE A 57 -12.057 -2.912 -4.888 1.00 0.00 C ATOM 915 CE1 PHE A 57 -11.676 -0.200 -5.496 1.00 0.00 C ATOM 916 CE2 PHE A 57 -12.709 -2.341 -5.990 1.00 0.00 C ATOM 917 CZ PHE A 57 -12.524 -0.987 -6.291 1.00 0.00 C ATOM 0 H PHE A 57 -13.167 -2.555 -1.690 1.00 0.00 H new ATOM 0 HA PHE A 57 -10.460 -3.134 -0.833 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.444 -2.334 -2.917 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -10.331 -3.827 -3.158 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -10.366 -0.170 -3.785 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -12.219 -3.951 -4.644 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -11.533 0.845 -5.727 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -13.355 -2.947 -6.608 1.00 0.00 H new ATOM 0 HZ PHE A 57 -13.034 -0.547 -7.135 1.00 0.00 H new ATOM 927 N ALA A 58 -9.936 -0.575 -0.952 1.00 0.00 N ATOM 928 CA ALA A 58 -9.746 0.792 -0.516 1.00 0.00 C ATOM 929 C ALA A 58 -8.536 1.363 -1.240 1.00 0.00 C ATOM 930 O ALA A 58 -7.407 1.210 -0.777 1.00 0.00 O ATOM 931 CB ALA A 58 -9.533 0.834 0.999 1.00 0.00 C ATOM 0 H ALA A 58 -9.058 -1.069 -1.113 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.629 1.387 -0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.391 1.867 1.318 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.406 0.416 1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.650 0.249 1.259 1.00 0.00 H new ATOM 937 N PHE A 59 -8.769 2.017 -2.380 1.00 0.00 N ATOM 938 CA PHE A 59 -7.695 2.560 -3.198 1.00 0.00 C ATOM 939 C PHE A 59 -6.966 3.618 -2.388 1.00 0.00 C ATOM 940 O PHE A 59 -7.504 4.686 -2.113 1.00 0.00 O ATOM 941 CB PHE A 59 -8.267 3.118 -4.509 1.00 0.00 C ATOM 942 CG PHE A 59 -7.277 3.908 -5.350 1.00 0.00 C ATOM 943 CD1 PHE A 59 -7.089 5.273 -5.083 1.00 0.00 C ATOM 944 CD2 PHE A 59 -6.553 3.301 -6.392 1.00 0.00 C ATOM 945 CE1 PHE A 59 -6.167 6.020 -5.820 1.00 0.00 C ATOM 946 CE2 PHE A 59 -5.612 4.047 -7.116 1.00 0.00 C ATOM 947 CZ PHE A 59 -5.410 5.403 -6.824 1.00 0.00 C ATOM 0 H PHE A 59 -9.703 2.182 -2.756 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.981 1.783 -3.471 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.648 2.289 -5.105 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.117 3.759 -4.275 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.662 5.750 -4.301 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.722 2.262 -6.634 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.038 7.073 -5.616 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.041 3.575 -7.902 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.672 5.971 -7.372 1.00 0.00 H new ATOM 957 N VAL A 60 -5.725 3.309 -2.009 1.00 0.00 N ATOM 958 CA VAL A 60 -4.850 4.293 -1.382 1.00 0.00 C ATOM 959 C VAL A 60 -3.790 4.660 -2.404 1.00 0.00 C ATOM 960 O VAL A 60 -3.675 3.964 -3.410 1.00 0.00 O ATOM 961 CB VAL A 60 -4.227 3.765 -0.079 1.00 0.00 C ATOM 962 CG1 VAL A 60 -5.192 2.837 0.647 1.00 0.00 C ATOM 963 CG2 VAL A 60 -2.919 3.017 -0.328 1.00 0.00 C ATOM 0 H VAL A 60 -5.306 2.386 -2.126 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.422 5.174 -1.091 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.016 4.639 0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.729 2.477 1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.105 3.380 0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.434 1.989 0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.516 2.663 0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.105 2.166 -0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.201 3.687 -0.800 1.00 0.00 H new ATOM 973 N ARG A 61 -3.024 5.731 -2.158 1.00 0.00 N ATOM 974 CA ARG A 61 -1.978 6.156 -3.075 1.00 0.00 C ATOM 975 C ARG A 61 -0.751 6.613 -2.283 1.00 0.00 C ATOM 976 O ARG A 61 -0.894 7.188 -1.201 1.00 0.00 O ATOM 977 CB ARG A 61 -2.520 7.249 -4.007 1.00 0.00 C ATOM 978 CG ARG A 61 -2.320 8.653 -3.426 1.00 0.00 C ATOM 979 CD ARG A 61 -2.962 9.706 -4.325 1.00 0.00 C ATOM 980 NE ARG A 61 -2.407 9.639 -5.682 1.00 0.00 N ATOM 981 CZ ARG A 61 -3.147 9.506 -6.785 1.00 0.00 C ATOM 982 NH1 ARG A 61 -4.473 9.484 -6.720 1.00 0.00 N ATOM 983 NH2 ARG A 61 -2.555 9.387 -7.971 1.00 0.00 N ATOM 0 H ARG A 61 -3.116 6.315 -1.327 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.664 5.322 -3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.019 7.182 -4.973 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.582 7.079 -4.186 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.756 8.705 -2.428 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.255 8.859 -3.319 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.041 9.552 -4.360 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.795 10.699 -3.907 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.394 9.698 -5.789 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.941 9.569 -5.818 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.024 9.382 -7.572 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.537 9.397 -8.036 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.119 9.285 -8.815 1.00 0.00 H new ATOM 997 N PHE A 62 0.453 6.358 -2.817 1.00 0.00 N ATOM 998 CA PHE A 62 1.713 6.723 -2.186 1.00 0.00 C ATOM 999 C PHE A 62 2.544 7.589 -3.111 1.00 0.00 C ATOM 1000 O PHE A 62 2.509 7.419 -4.331 1.00 0.00 O ATOM 1001 CB PHE A 62 2.536 5.465 -1.922 1.00 0.00 C ATOM 1002 CG PHE A 62 2.254 4.727 -0.639 1.00 0.00 C ATOM 1003 CD1 PHE A 62 1.036 4.053 -0.457 1.00 0.00 C ATOM 1004 CD2 PHE A 62 3.235 4.701 0.361 1.00 0.00 C ATOM 1005 CE1 PHE A 62 0.812 3.332 0.727 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.024 3.958 1.527 1.00 0.00 C ATOM 1007 CZ PHE A 62 1.822 3.262 1.700 1.00 0.00 C ATOM 0 H PHE A 62 0.571 5.885 -3.713 1.00 0.00 H new ATOM 0 HA PHE A 62 1.478 7.256 -1.264 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.379 4.776 -2.752 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.591 5.741 -1.931 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.276 4.089 -1.223 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.153 5.254 0.232 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.132 2.834 0.888 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.786 3.921 2.291 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.670 2.667 2.588 1.00 0.00 H new ATOM 1017 N HIS A 63 3.299 8.512 -2.505 1.00 0.00 N ATOM 1018 CA HIS A 63 4.120 9.466 -3.230 1.00 0.00 C ATOM 1019 C HIS A 63 5.588 9.056 -3.292 1.00 0.00 C ATOM 1020 O HIS A 63 6.267 9.345 -4.272 1.00 0.00 O ATOM 1021 CB HIS A 63 4.015 10.862 -2.605 1.00 0.00 C ATOM 1022 CG HIS A 63 3.208 11.002 -1.333 1.00 0.00 C ATOM 1023 ND1 HIS A 63 2.252 12.003 -1.129 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.287 10.233 -0.204 1.00 0.00 C ATOM 1025 CE1 HIS A 63 1.797 11.825 0.120 1.00 0.00 C ATOM 1026 NE2 HIS A 63 2.395 10.769 0.694 1.00 0.00 N ATOM 0 H HIS A 63 3.352 8.612 -1.491 1.00 0.00 H new ATOM 0 HA HIS A 63 3.733 9.484 -4.249 1.00 0.00 H new ATOM 0 HB2 HIS A 63 5.026 11.216 -2.402 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.586 11.532 -3.350 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.924 9.375 -0.049 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.053 12.445 0.598 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.217 10.423 1.637 1.00 0.00 H new ATOM 1034 N ASP A 64 6.081 8.386 -2.253 1.00 0.00 N ATOM 1035 CA ASP A 64 7.463 7.946 -2.186 1.00 0.00 C ATOM 1036 C ASP A 64 7.635 6.620 -2.917 1.00 0.00 C ATOM 1037 O ASP A 64 6.914 5.663 -2.635 1.00 0.00 O ATOM 1038 CB ASP A 64 7.837 7.751 -0.718 1.00 0.00 C ATOM 1039 CG ASP A 64 8.277 9.067 -0.093 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.480 9.386 -0.224 1.00 0.00 O ATOM 1041 OD2 ASP A 64 7.416 9.746 0.508 1.00 0.00 O ATOM 0 H ASP A 64 5.528 8.135 -1.434 1.00 0.00 H new ATOM 0 HA ASP A 64 8.103 8.694 -2.655 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.984 7.351 -0.171 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.640 7.018 -0.637 1.00 0.00 H new ATOM 1046 N LYS A 65 8.589 6.561 -3.848 1.00 0.00 N ATOM 1047 CA LYS A 65 8.882 5.326 -4.557 1.00 0.00 C ATOM 1048 C LYS A 65 9.435 4.280 -3.595 1.00 0.00 C ATOM 1049 O LYS A 65 8.928 3.162 -3.552 1.00 0.00 O ATOM 1050 CB LYS A 65 9.877 5.626 -5.685 1.00 0.00 C ATOM 1051 CG LYS A 65 10.530 4.367 -6.276 1.00 0.00 C ATOM 1052 CD LYS A 65 9.522 3.326 -6.778 1.00 0.00 C ATOM 1053 CE LYS A 65 8.560 3.886 -7.830 1.00 0.00 C ATOM 1054 NZ LYS A 65 9.265 4.323 -9.050 1.00 0.00 N ATOM 0 H LYS A 65 9.167 7.355 -4.124 1.00 0.00 H new ATOM 0 HA LYS A 65 7.967 4.920 -4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.362 6.166 -6.480 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.657 6.286 -5.305 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.179 4.659 -7.102 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.165 3.908 -5.518 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.062 2.479 -7.201 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.947 2.947 -5.933 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.825 3.125 -8.090 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.012 4.728 -7.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.574 4.679 -9.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.937 5.080 -8.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.781 3.519 -9.460 1.00 0.00 H new ATOM 1068 N ARG A 66 10.465 4.629 -2.816 1.00 0.00 N ATOM 1069 CA ARG A 66 11.114 3.662 -1.936 1.00 0.00 C ATOM 1070 C ARG A 66 10.151 3.062 -0.910 1.00 0.00 C ATOM 1071 O ARG A 66 10.295 1.895 -0.550 1.00 0.00 O ATOM 1072 CB ARG A 66 12.352 4.266 -1.270 1.00 0.00 C ATOM 1073 CG ARG A 66 12.065 5.383 -0.256 1.00 0.00 C ATOM 1074 CD ARG A 66 11.590 6.695 -0.881 1.00 0.00 C ATOM 1075 NE ARG A 66 12.551 7.205 -1.865 1.00 0.00 N ATOM 1076 CZ ARG A 66 12.551 8.453 -2.348 1.00 0.00 C ATOM 1077 NH1 ARG A 66 11.649 9.342 -1.940 1.00 0.00 N ATOM 1078 NH2 ARG A 66 13.462 8.817 -3.244 1.00 0.00 N ATOM 0 H ARG A 66 10.862 5.568 -2.780 1.00 0.00 H new ATOM 0 HA ARG A 66 11.444 2.834 -2.563 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.899 3.470 -0.765 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.007 4.661 -2.046 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.308 5.034 0.446 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.970 5.576 0.320 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.624 6.541 -1.362 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.441 7.439 -0.098 1.00 0.00 H new ATOM 0 HE ARG A 66 13.269 6.564 -2.204 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.946 9.076 -1.251 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.661 10.290 -2.317 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.160 8.145 -3.563 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.463 9.768 -3.613 1.00 0.00 H new ATOM 1092 N ASP A 67 9.175 3.840 -0.438 1.00 0.00 N ATOM 1093 CA ASP A 67 8.236 3.353 0.563 1.00 0.00 C ATOM 1094 C ASP A 67 7.090 2.598 -0.107 1.00 0.00 C ATOM 1095 O ASP A 67 6.420 1.785 0.533 1.00 0.00 O ATOM 1096 CB ASP A 67 7.684 4.533 1.369 1.00 0.00 C ATOM 1097 CG ASP A 67 8.792 5.292 2.099 1.00 0.00 C ATOM 1098 OD1 ASP A 67 9.783 4.647 2.504 1.00 0.00 O ATOM 1099 OD2 ASP A 67 8.636 6.524 2.248 1.00 0.00 O ATOM 0 H ASP A 67 9.018 4.804 -0.733 1.00 0.00 H new ATOM 0 HA ASP A 67 8.757 2.670 1.234 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.157 5.214 0.701 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.955 4.169 2.093 1.00 0.00 H new ATOM 1104 N ALA A 68 6.868 2.858 -1.398 1.00 0.00 N ATOM 1105 CA ALA A 68 5.832 2.208 -2.176 1.00 0.00 C ATOM 1106 C ALA A 68 6.281 0.806 -2.587 1.00 0.00 C ATOM 1107 O ALA A 68 5.522 -0.156 -2.446 1.00 0.00 O ATOM 1108 CB ALA A 68 5.599 3.064 -3.419 1.00 0.00 C ATOM 0 H ALA A 68 7.414 3.535 -1.931 1.00 0.00 H new ATOM 0 HA ALA A 68 4.917 2.110 -1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.823 2.608 -4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.284 4.063 -3.119 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.524 3.132 -3.992 1.00 0.00 H new ATOM 1114 N GLU A 69 7.509 0.680 -3.097 1.00 0.00 N ATOM 1115 CA GLU A 69 7.999 -0.620 -3.529 1.00 0.00 C ATOM 1116 C GLU A 69 8.400 -1.484 -2.335 1.00 0.00 C ATOM 1117 O GLU A 69 8.528 -2.697 -2.477 1.00 0.00 O ATOM 1118 CB GLU A 69 9.164 -0.469 -4.512 1.00 0.00 C ATOM 1119 CG GLU A 69 10.378 0.196 -3.860 1.00 0.00 C ATOM 1120 CD GLU A 69 11.624 0.044 -4.734 1.00 0.00 C ATOM 1121 OE1 GLU A 69 11.818 0.907 -5.619 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.369 -0.935 -4.510 1.00 0.00 O ATOM 0 H GLU A 69 8.167 1.450 -3.217 1.00 0.00 H new ATOM 0 HA GLU A 69 7.185 -1.126 -4.047 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.448 -1.450 -4.892 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.842 0.123 -5.368 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.172 1.254 -3.695 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.559 -0.250 -2.882 1.00 0.00 H new ATOM 1129 N ASP A 70 8.605 -0.883 -1.155 1.00 0.00 N ATOM 1130 CA ASP A 70 8.857 -1.683 0.034 1.00 0.00 C ATOM 1131 C ASP A 70 7.545 -2.253 0.571 1.00 0.00 C ATOM 1132 O ASP A 70 7.503 -3.405 1.000 1.00 0.00 O ATOM 1133 CB ASP A 70 9.546 -0.821 1.090 1.00 0.00 C ATOM 1134 CG ASP A 70 9.911 -1.643 2.321 1.00 0.00 C ATOM 1135 OD1 ASP A 70 10.745 -2.565 2.176 1.00 0.00 O ATOM 1136 OD2 ASP A 70 9.350 -1.345 3.398 1.00 0.00 O ATOM 0 H ASP A 70 8.601 0.126 -1.007 1.00 0.00 H new ATOM 0 HA ASP A 70 9.511 -2.517 -0.220 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.446 -0.374 0.668 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.889 -0.001 1.379 1.00 0.00 H new ATOM 1141 N ALA A 71 6.468 -1.461 0.553 1.00 0.00 N ATOM 1142 CA ALA A 71 5.188 -1.906 1.081 1.00 0.00 C ATOM 1143 C ALA A 71 4.640 -3.088 0.284 1.00 0.00 C ATOM 1144 O ALA A 71 3.979 -3.962 0.853 1.00 0.00 O ATOM 1145 CB ALA A 71 4.205 -0.740 1.060 1.00 0.00 C ATOM 0 H ALA A 71 6.464 -0.512 0.178 1.00 0.00 H new ATOM 0 HA ALA A 71 5.329 -2.245 2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.243 -1.068 1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.592 0.073 1.675 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.077 -0.391 0.035 1.00 0.00 H new ATOM 1151 N MET A 72 4.903 -3.133 -1.026 1.00 0.00 N ATOM 1152 CA MET A 72 4.452 -4.264 -1.828 1.00 0.00 C ATOM 1153 C MET A 72 5.326 -5.477 -1.541 1.00 0.00 C ATOM 1154 O MET A 72 4.840 -6.596 -1.400 1.00 0.00 O ATOM 1155 CB MET A 72 4.482 -3.894 -3.313 1.00 0.00 C ATOM 1156 CG MET A 72 5.875 -3.921 -3.935 1.00 0.00 C ATOM 1157 SD MET A 72 5.922 -3.470 -5.685 1.00 0.00 S ATOM 1158 CE MET A 72 5.023 -1.908 -5.594 1.00 0.00 C ATOM 0 H MET A 72 5.414 -2.415 -1.540 1.00 0.00 H new ATOM 0 HA MET A 72 3.425 -4.515 -1.565 1.00 0.00 H new ATOM 0 HB2 MET A 72 3.838 -4.582 -3.861 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.060 -2.896 -3.436 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.521 -3.240 -3.380 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.292 -4.921 -3.819 1.00 0.00 H new ATOM 0 HE1 MET A 72 5.286 -1.287 -6.450 1.00 0.00 H new ATOM 0 HE2 MET A 72 3.951 -2.104 -5.603 1.00 0.00 H new ATOM 0 HE3 MET A 72 5.289 -1.388 -4.673 1.00 0.00 H new ATOM 1168 N ASP A 73 6.633 -5.233 -1.459 1.00 0.00 N ATOM 1169 CA ASP A 73 7.632 -6.260 -1.211 1.00 0.00 C ATOM 1170 C ASP A 73 7.634 -6.710 0.253 1.00 0.00 C ATOM 1171 O ASP A 73 8.440 -7.560 0.623 1.00 0.00 O ATOM 1172 CB ASP A 73 9.004 -5.727 -1.615 1.00 0.00 C ATOM 1173 CG ASP A 73 10.075 -6.820 -1.592 1.00 0.00 C ATOM 1174 OD1 ASP A 73 9.879 -7.825 -2.317 1.00 0.00 O ATOM 1175 OD2 ASP A 73 11.072 -6.649 -0.856 1.00 0.00 O ATOM 0 H ASP A 73 7.029 -4.299 -1.565 1.00 0.00 H new ATOM 0 HA ASP A 73 7.387 -7.137 -1.810 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.946 -5.298 -2.615 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.293 -4.922 -0.939 1.00 0.00 H new ATOM 1180 N ALA A 74 6.747 -6.160 1.096 1.00 0.00 N ATOM 1181 CA ALA A 74 6.757 -6.483 2.512 1.00 0.00 C ATOM 1182 C ALA A 74 5.386 -6.870 3.055 1.00 0.00 C ATOM 1183 O ALA A 74 5.312 -7.340 4.192 1.00 0.00 O ATOM 1184 CB ALA A 74 7.284 -5.274 3.273 1.00 0.00 C ATOM 0 H ALA A 74 6.024 -5.497 0.816 1.00 0.00 H new ATOM 0 HA ALA A 74 7.397 -7.355 2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.300 -5.495 4.340 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.294 -5.043 2.935 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.635 -4.417 3.089 1.00 0.00 H new ATOM 1190 N MET A 75 4.306 -6.688 2.286 1.00 0.00 N ATOM 1191 CA MET A 75 2.994 -7.024 2.819 1.00 0.00 C ATOM 1192 C MET A 75 1.977 -7.551 1.809 1.00 0.00 C ATOM 1193 O MET A 75 0.985 -8.151 2.222 1.00 0.00 O ATOM 1194 CB MET A 75 2.430 -5.787 3.509 1.00 0.00 C ATOM 1195 CG MET A 75 1.576 -6.223 4.692 1.00 0.00 C ATOM 1196 SD MET A 75 1.165 -4.909 5.875 1.00 0.00 S ATOM 1197 CE MET A 75 0.607 -3.623 4.735 1.00 0.00 C ATOM 0 H MET A 75 4.316 -6.325 1.333 1.00 0.00 H new ATOM 0 HA MET A 75 3.154 -7.856 3.505 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.241 -5.143 3.848 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.832 -5.205 2.808 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.648 -6.651 4.312 1.00 0.00 H new ATOM 0 HG3 MET A 75 2.099 -7.018 5.224 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.248 -2.764 5.303 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.437 -3.316 4.099 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.201 -4.012 4.115 1.00 0.00 H new ATOM 1207 N ASP A 76 2.177 -7.353 0.503 1.00 0.00 N ATOM 1208 CA ASP A 76 1.213 -7.883 -0.453 1.00 0.00 C ATOM 1209 C ASP A 76 1.152 -9.406 -0.354 1.00 0.00 C ATOM 1210 O ASP A 76 2.175 -10.082 -0.249 1.00 0.00 O ATOM 1211 CB ASP A 76 1.558 -7.424 -1.874 1.00 0.00 C ATOM 1212 CG ASP A 76 1.209 -8.453 -2.945 1.00 0.00 C ATOM 1213 OD1 ASP A 76 0.061 -8.400 -3.441 1.00 0.00 O ATOM 1214 OD2 ASP A 76 2.087 -9.284 -3.263 1.00 0.00 O ATOM 0 H ASP A 76 2.967 -6.849 0.099 1.00 0.00 H new ATOM 0 HA ASP A 76 0.224 -7.493 -0.212 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.028 -6.495 -2.087 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.624 -7.202 -1.927 1.00 0.00 H new ATOM 1219 N GLY A 77 -0.076 -9.934 -0.388 1.00 0.00 N ATOM 1220 CA GLY A 77 -0.325 -11.368 -0.412 1.00 0.00 C ATOM 1221 C GLY A 77 -0.011 -12.067 0.913 1.00 0.00 C ATOM 1222 O GLY A 77 -0.031 -13.295 0.970 1.00 0.00 O ATOM 0 H GLY A 77 -0.926 -9.370 -0.400 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.370 -11.543 -0.666 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.275 -11.819 -1.202 1.00 0.00 H new ATOM 1226 N ALA A 78 0.271 -11.312 1.982 1.00 0.00 N ATOM 1227 CA ALA A 78 0.629 -11.882 3.278 1.00 0.00 C ATOM 1228 C ALA A 78 -0.603 -12.324 4.071 1.00 0.00 C ATOM 1229 O ALA A 78 -0.602 -12.303 5.303 1.00 0.00 O ATOM 1230 CB ALA A 78 1.466 -10.868 4.055 1.00 0.00 C ATOM 0 H ALA A 78 0.256 -10.292 1.969 1.00 0.00 H new ATOM 0 HA ALA A 78 1.220 -12.783 3.114 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.737 -11.287 5.024 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.371 -10.637 3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.888 -9.956 4.203 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.655 -12.716 3.349 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.968 -13.032 3.852 1.00 0.00 C ATOM 1238 C VAL A 79 -3.011 -14.260 4.752 1.00 0.00 C ATOM 1239 O VAL A 79 -2.003 -14.942 4.932 1.00 0.00 O ATOM 1240 CB VAL A 79 -3.870 -13.204 2.638 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -3.663 -12.047 1.657 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -3.704 -14.539 1.919 1.00 0.00 C ATOM 0 H VAL A 79 -1.595 -12.824 2.336 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.305 -12.220 4.497 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.890 -13.196 3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.314 -12.182 0.793 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.904 -11.105 2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.624 -12.030 1.329 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.382 -14.580 1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.676 -14.639 1.570 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.935 -15.353 2.606 1.00 0.00 H new ATOM 1252 N LEU A 80 -4.190 -14.549 5.323 1.00 0.00 N ATOM 1253 CA LEU A 80 -4.325 -15.703 6.212 1.00 0.00 C ATOM 1254 C LEU A 80 -5.691 -16.396 6.143 1.00 0.00 C ATOM 1255 O LEU A 80 -5.906 -17.371 6.860 1.00 0.00 O ATOM 1256 CB LEU A 80 -3.992 -15.303 7.656 1.00 0.00 C ATOM 1257 CG LEU A 80 -5.175 -14.735 8.455 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -4.690 -14.351 9.852 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -5.785 -13.502 7.796 1.00 0.00 C ATOM 0 H LEU A 80 -5.045 -14.010 5.187 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.606 -16.441 5.856 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.603 -16.176 8.180 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.194 -14.561 7.638 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.944 -15.507 8.497 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.522 -13.946 10.428 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.295 -15.234 10.356 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.906 -13.599 9.771 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.617 -13.140 8.401 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.029 -12.721 7.715 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.146 -13.762 6.801 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.615 -15.922 5.305 1.00 0.00 N ATOM 1272 CA ASP A 81 -7.948 -16.516 5.222 1.00 0.00 C ATOM 1273 C ASP A 81 -8.475 -16.544 3.784 1.00 0.00 C ATOM 1274 O ASP A 81 -9.612 -16.945 3.536 1.00 0.00 O ATOM 1275 CB ASP A 81 -8.884 -15.740 6.149 1.00 0.00 C ATOM 1276 CG ASP A 81 -10.246 -16.415 6.292 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -10.262 -17.600 6.690 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -11.258 -15.737 6.002 1.00 0.00 O ATOM 0 H ASP A 81 -6.465 -15.132 4.677 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.897 -17.557 5.542 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.422 -15.646 7.132 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -9.020 -14.730 5.762 1.00 0.00 H new ATOM 1283 N GLY A 82 -7.641 -16.115 2.834 1.00 0.00 N ATOM 1284 CA GLY A 82 -7.984 -16.070 1.423 1.00 0.00 C ATOM 1285 C GLY A 82 -7.578 -14.728 0.829 1.00 0.00 C ATOM 1286 O GLY A 82 -7.294 -14.637 -0.363 1.00 0.00 O ATOM 0 H GLY A 82 -6.696 -15.786 3.033 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.481 -16.879 0.892 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.056 -16.224 1.296 1.00 0.00 H new ATOM 1290 N ARG A 83 -7.542 -13.684 1.668 1.00 0.00 N ATOM 1291 CA ARG A 83 -7.083 -12.374 1.264 1.00 0.00 C ATOM 1292 C ARG A 83 -6.662 -11.571 2.489 1.00 0.00 C ATOM 1293 O ARG A 83 -7.062 -11.892 3.605 1.00 0.00 O ATOM 1294 CB ARG A 83 -8.203 -11.627 0.543 1.00 0.00 C ATOM 1295 CG ARG A 83 -9.186 -11.054 1.560 1.00 0.00 C ATOM 1296 CD ARG A 83 -10.084 -10.039 0.877 1.00 0.00 C ATOM 1297 NE ARG A 83 -10.942 -10.667 -0.133 1.00 0.00 N ATOM 1298 CZ ARG A 83 -11.701 -9.994 -0.997 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -11.758 -8.666 -0.967 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -12.416 -10.655 -1.904 1.00 0.00 N ATOM 0 H ARG A 83 -7.833 -13.737 2.644 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.233 -12.495 0.593 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.784 -10.824 -0.063 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.723 -12.302 -0.137 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.786 -11.854 1.993 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.644 -10.583 2.380 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.704 -9.542 1.623 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.472 -9.269 0.407 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.959 -11.686 -0.177 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.216 -8.148 -0.276 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.344 -8.165 -1.635 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.382 -11.674 -1.936 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.998 -10.143 -2.567 1.00 0.00 H new ATOM 1314 N GLU A 84 -5.861 -10.535 2.254 1.00 0.00 N ATOM 1315 CA GLU A 84 -5.567 -9.481 3.213 1.00 0.00 C ATOM 1316 C GLU A 84 -5.043 -8.245 2.489 1.00 0.00 C ATOM 1317 O GLU A 84 -5.472 -7.134 2.799 1.00 0.00 O ATOM 1318 CB GLU A 84 -4.599 -9.837 4.349 1.00 0.00 C ATOM 1319 CG GLU A 84 -5.202 -10.711 5.447 1.00 0.00 C ATOM 1320 CD GLU A 84 -4.395 -10.552 6.732 1.00 0.00 C ATOM 1321 OE1 GLU A 84 -3.256 -11.066 6.759 1.00 0.00 O ATOM 1322 OE2 GLU A 84 -4.921 -9.917 7.672 1.00 0.00 O ATOM 0 H GLU A 84 -5.385 -10.405 1.361 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.525 -9.300 3.701 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.736 -10.352 3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.231 -8.914 4.798 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.240 -10.428 5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.204 -11.755 5.134 1.00 0.00 H new ATOM 1329 N LEU A 85 -4.124 -8.428 1.529 1.00 0.00 N ATOM 1330 CA LEU A 85 -3.503 -7.328 0.795 1.00 0.00 C ATOM 1331 C LEU A 85 -3.293 -7.663 -0.675 1.00 0.00 C ATOM 1332 O LEU A 85 -3.125 -8.823 -1.045 1.00 0.00 O ATOM 1333 CB LEU A 85 -2.077 -7.051 1.302 1.00 0.00 C ATOM 1334 CG LEU A 85 -1.871 -6.411 2.673 1.00 0.00 C ATOM 1335 CD1 LEU A 85 -2.791 -5.213 2.875 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -2.038 -7.427 3.790 1.00 0.00 C ATOM 0 H LEU A 85 -3.793 -9.349 1.243 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.182 -6.487 0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.542 -8.001 1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.589 -6.410 0.567 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.845 -6.046 2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.617 -4.783 3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.586 -4.464 2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.830 -5.535 2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.885 -6.938 4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.043 -7.847 3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.306 -8.225 3.668 1.00 0.00 H new ATOM 1348 N ARG A 86 -3.303 -6.603 -1.484 1.00 0.00 N ATOM 1349 CA ARG A 86 -2.847 -6.565 -2.865 1.00 0.00 C ATOM 1350 C ARG A 86 -2.433 -5.125 -3.124 1.00 0.00 C ATOM 1351 O ARG A 86 -3.273 -4.224 -3.112 1.00 0.00 O ATOM 1352 CB ARG A 86 -3.932 -7.002 -3.855 1.00 0.00 C ATOM 1353 CG ARG A 86 -4.127 -8.518 -3.893 1.00 0.00 C ATOM 1354 CD ARG A 86 -2.803 -9.231 -4.161 1.00 0.00 C ATOM 1355 NE ARG A 86 -2.983 -10.671 -4.320 1.00 0.00 N ATOM 1356 CZ ARG A 86 -1.976 -11.545 -4.286 1.00 0.00 C ATOM 1357 NH1 ARG A 86 -0.725 -11.137 -4.088 1.00 0.00 N ATOM 1358 NH2 ARG A 86 -2.217 -12.845 -4.449 1.00 0.00 N ATOM 0 H ARG A 86 -3.651 -5.697 -1.170 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.023 -7.264 -3.011 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.875 -6.526 -3.586 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.670 -6.649 -4.853 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.543 -8.859 -2.945 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.848 -8.777 -4.669 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.345 -8.821 -5.061 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.115 -9.040 -3.338 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.928 -11.027 -4.465 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.526 -10.145 -3.960 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.035 -11.817 -4.064 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.171 -13.172 -4.600 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.447 -13.514 -4.423 1.00 0.00 H new ATOM 1372 N VAL A 87 -1.140 -4.909 -3.355 1.00 0.00 N ATOM 1373 CA VAL A 87 -0.587 -3.570 -3.498 1.00 0.00 C ATOM 1374 C VAL A 87 0.443 -3.535 -4.621 1.00 0.00 C ATOM 1375 O VAL A 87 1.477 -4.198 -4.555 1.00 0.00 O ATOM 1376 CB VAL A 87 -0.024 -3.096 -2.154 1.00 0.00 C ATOM 1377 CG1 VAL A 87 0.752 -4.174 -1.408 1.00 0.00 C ATOM 1378 CG2 VAL A 87 0.897 -1.886 -2.312 1.00 0.00 C ATOM 0 H VAL A 87 -0.451 -5.656 -3.448 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.375 -2.872 -3.781 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.906 -2.829 -1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.122 -3.770 -0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.096 -5.021 -1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.594 -4.503 -2.017 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.273 -1.585 -1.334 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.735 -2.148 -2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.341 -1.061 -2.757 1.00 0.00 H new ATOM 1388 N GLN A 88 0.136 -2.747 -5.653 1.00 0.00 N ATOM 1389 CA GLN A 88 0.939 -2.596 -6.859 1.00 0.00 C ATOM 1390 C GLN A 88 0.700 -1.200 -7.428 1.00 0.00 C ATOM 1391 O GLN A 88 -0.245 -0.512 -7.055 1.00 0.00 O ATOM 1392 CB GLN A 88 0.535 -3.643 -7.908 1.00 0.00 C ATOM 1393 CG GLN A 88 0.984 -5.069 -7.560 1.00 0.00 C ATOM 1394 CD GLN A 88 0.057 -5.788 -6.582 1.00 0.00 C ATOM 1395 OE1 GLN A 88 -1.120 -5.461 -6.457 1.00 0.00 O ATOM 1396 NE2 GLN A 88 0.588 -6.781 -5.876 1.00 0.00 N ATOM 0 H GLN A 88 -0.710 -2.178 -5.668 1.00 0.00 H new ATOM 0 HA GLN A 88 1.991 -2.736 -6.612 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.549 -3.630 -8.022 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.961 -3.362 -8.871 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.051 -5.653 -8.478 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.986 -5.030 -7.134 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.569 -7.029 -6.003 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.014 -7.295 -5.208 1.00 0.00 H new ATOM 1405 N MET A 89 1.576 -0.783 -8.339 1.00 0.00 N ATOM 1406 CA MET A 89 1.580 0.553 -8.909 1.00 0.00 C ATOM 1407 C MET A 89 0.284 0.839 -9.664 1.00 0.00 C ATOM 1408 O MET A 89 -0.263 -0.049 -10.320 1.00 0.00 O ATOM 1409 CB MET A 89 2.791 0.638 -9.836 1.00 0.00 C ATOM 1410 CG MET A 89 4.051 0.467 -8.981 1.00 0.00 C ATOM 1411 SD MET A 89 4.571 2.008 -8.182 1.00 0.00 S ATOM 1412 CE MET A 89 5.831 1.344 -7.065 1.00 0.00 C ATOM 0 H MET A 89 2.317 -1.380 -8.706 1.00 0.00 H new ATOM 0 HA MET A 89 1.645 1.304 -8.122 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.741 -0.137 -10.601 1.00 0.00 H new ATOM 0 HB3 MET A 89 2.809 1.597 -10.354 1.00 0.00 H new ATOM 0 HG2 MET A 89 3.867 -0.289 -8.217 1.00 0.00 H new ATOM 0 HG3 MET A 89 4.862 0.096 -9.607 1.00 0.00 H new ATOM 0 HE1 MET A 89 6.532 2.134 -6.796 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.353 0.961 -6.164 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.368 0.536 -7.562 1.00 0.00 H new ATOM 1422 N ALA A 90 -0.204 2.077 -9.570 1.00 0.00 N ATOM 1423 CA ALA A 90 -1.392 2.535 -10.286 1.00 0.00 C ATOM 1424 C ALA A 90 -1.105 2.670 -11.781 1.00 0.00 C ATOM 1425 O ALA A 90 0.045 2.593 -12.215 1.00 0.00 O ATOM 1426 CB ALA A 90 -1.835 3.880 -9.718 1.00 0.00 C ATOM 0 H ALA A 90 0.221 2.798 -8.987 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.187 1.801 -10.156 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.722 4.225 -10.250 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.067 3.769 -8.659 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.033 4.608 -9.839 1.00 0.00 H new ATOM 1432 N ARG A 91 -2.164 2.877 -12.571 1.00 0.00 N ATOM 1433 CA ARG A 91 -2.055 3.123 -14.004 1.00 0.00 C ATOM 1434 C ARG A 91 -3.094 4.153 -14.453 1.00 0.00 C ATOM 1435 O ARG A 91 -3.198 4.449 -15.645 1.00 0.00 O ATOM 1436 CB ARG A 91 -2.190 1.792 -14.752 1.00 0.00 C ATOM 1437 CG ARG A 91 -1.758 1.898 -16.222 1.00 0.00 C ATOM 1438 CD ARG A 91 -1.755 0.520 -16.883 1.00 0.00 C ATOM 1439 NE ARG A 91 -3.110 -0.041 -16.965 1.00 0.00 N ATOM 1440 CZ ARG A 91 -3.397 -1.216 -17.536 1.00 0.00 C ATOM 1441 NH1 ARG A 91 -2.437 -1.968 -18.068 1.00 0.00 N ATOM 1442 NH2 ARG A 91 -4.656 -1.639 -17.575 1.00 0.00 N ATOM 0 H ARG A 91 -3.124 2.878 -12.227 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.078 3.546 -14.238 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.585 1.035 -14.252 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.226 1.455 -14.704 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.435 2.563 -16.758 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.763 2.339 -16.283 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.331 0.597 -17.884 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.114 -0.155 -16.316 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.877 0.497 -16.563 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -1.468 -1.651 -18.044 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.670 -2.862 -18.500 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.398 -1.068 -17.171 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.880 -2.534 -18.009 1.00 0.00 H new ATOM 1456 N TYR A 92 -3.869 4.699 -13.508 1.00 0.00 N ATOM 1457 CA TYR A 92 -4.881 5.705 -13.804 1.00 0.00 C ATOM 1458 C TYR A 92 -4.778 6.856 -12.799 1.00 0.00 C ATOM 1459 O TYR A 92 -4.102 6.726 -11.777 1.00 0.00 O ATOM 1460 CB TYR A 92 -6.278 5.087 -13.798 1.00 0.00 C ATOM 1461 CG TYR A 92 -6.386 3.725 -14.454 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -6.063 3.560 -15.809 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -6.814 2.626 -13.696 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -6.161 2.293 -16.404 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -6.920 1.356 -14.282 1.00 0.00 C ATOM 1466 CZ TYR A 92 -6.589 1.188 -15.643 1.00 0.00 C ATOM 1467 OH TYR A 92 -6.684 -0.043 -16.217 1.00 0.00 O ATOM 0 H TYR A 92 -3.808 4.452 -12.520 1.00 0.00 H new ATOM 0 HA TYR A 92 -4.704 6.102 -14.803 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.616 5.002 -12.765 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -6.962 5.770 -14.302 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -5.739 4.408 -16.394 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.064 2.758 -12.654 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -5.908 2.165 -17.446 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.253 0.513 -13.695 1.00 0.00 H new ATOM 0 HH TYR A 92 -6.993 -0.692 -15.551 1.00 0.00 H new ATOM 1477 N GLY A 93 -5.443 7.978 -13.082 1.00 0.00 N ATOM 1478 CA GLY A 93 -5.328 9.188 -12.275 1.00 0.00 C ATOM 1479 C GLY A 93 -6.656 9.579 -11.634 1.00 0.00 C ATOM 1480 O GLY A 93 -7.668 8.906 -11.835 1.00 0.00 O ATOM 0 H GLY A 93 -6.075 8.070 -13.877 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.581 9.034 -11.496 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.972 10.007 -12.900 1.00 0.00 H new ATOM 1484 N ARG A 94 -6.649 10.671 -10.860 1.00 0.00 N ATOM 1485 CA ARG A 94 -7.835 11.136 -10.150 1.00 0.00 C ATOM 1486 C ARG A 94 -8.953 11.484 -11.132 1.00 0.00 C ATOM 1487 O ARG A 94 -8.683 11.968 -12.232 1.00 0.00 O ATOM 1488 CB ARG A 94 -7.498 12.358 -9.293 1.00 0.00 C ATOM 1489 CG ARG A 94 -6.410 12.039 -8.264 1.00 0.00 C ATOM 1490 CD ARG A 94 -6.307 13.167 -7.239 1.00 0.00 C ATOM 1491 NE ARG A 94 -6.038 14.457 -7.881 1.00 0.00 N ATOM 1492 CZ ARG A 94 -6.367 15.640 -7.351 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -6.953 15.707 -6.160 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -6.112 16.762 -8.018 1.00 0.00 N ATOM 0 H ARG A 94 -5.823 11.251 -10.712 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.179 10.330 -9.502 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.165 13.173 -9.935 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.396 12.703 -8.780 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -6.639 11.100 -7.760 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -5.452 11.905 -8.766 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.235 13.229 -6.671 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -5.513 12.941 -6.528 1.00 0.00 H new ATOM 0 HE ARG A 94 -5.571 14.452 -8.788 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -7.155 14.852 -5.642 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -7.200 16.614 -5.764 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.665 16.720 -8.934 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -6.363 17.664 -7.613 1.00 0.00 H new ATOM 1508 N PRO A 95 -10.212 11.239 -10.751 1.00 0.00 N ATOM 1509 CA PRO A 95 -11.370 11.495 -11.592 1.00 0.00 C ATOM 1510 C PRO A 95 -11.789 12.969 -11.552 1.00 0.00 C ATOM 1511 O PRO A 95 -11.580 13.648 -10.543 1.00 0.00 O ATOM 1512 CB PRO A 95 -12.472 10.647 -10.963 1.00 0.00 C ATOM 1513 CG PRO A 95 -12.137 10.705 -9.470 1.00 0.00 C ATOM 1514 CD PRO A 95 -10.609 10.674 -9.474 1.00 0.00 C ATOM 0 HA PRO A 95 -11.166 11.259 -12.636 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.462 11.052 -11.171 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.460 9.624 -11.340 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.524 11.610 -9.002 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.559 9.860 -8.926 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.203 11.254 -8.645 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.237 9.655 -9.363 1.00 0.00 H new ATOM 1522 N PRO A 96 -12.381 13.477 -12.640 1.00 0.00 N ATOM 1523 CA PRO A 96 -12.977 14.799 -12.674 1.00 0.00 C ATOM 1524 C PRO A 96 -14.378 14.785 -12.062 1.00 0.00 C ATOM 1525 O PRO A 96 -14.728 15.694 -11.312 1.00 0.00 O ATOM 1526 CB PRO A 96 -13.051 15.134 -14.159 1.00 0.00 C ATOM 1527 CG PRO A 96 -13.270 13.775 -14.827 1.00 0.00 C ATOM 1528 CD PRO A 96 -12.500 12.811 -13.927 1.00 0.00 C ATOM 0 HA PRO A 96 -12.402 15.527 -12.102 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -13.868 15.822 -14.374 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -12.134 15.609 -14.509 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -14.328 13.518 -14.879 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -12.889 13.763 -15.848 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -13.028 11.862 -13.829 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -11.518 12.588 -14.344 1.00 0.00 H new ATOM 1536 N ASP A 97 -15.175 13.760 -12.381 1.00 0.00 N ATOM 1537 CA ASP A 97 -16.540 13.604 -11.902 1.00 0.00 C ATOM 1538 C ASP A 97 -17.086 12.231 -12.311 1.00 0.00 C ATOM 1539 O ASP A 97 -16.715 11.712 -13.366 1.00 0.00 O ATOM 1540 CB ASP A 97 -17.416 14.690 -12.531 1.00 0.00 C ATOM 1541 CG ASP A 97 -18.878 14.528 -12.131 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -19.160 14.651 -10.919 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -19.694 14.281 -13.047 1.00 0.00 O ATOM 0 H ASP A 97 -14.876 13.002 -12.994 1.00 0.00 H new ATOM 0 HA ASP A 97 -16.550 13.689 -10.815 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -17.059 15.672 -12.221 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -17.328 14.647 -13.617 1.00 0.00 H new ATOM 1548 N SER A 98 -17.969 11.640 -11.500 1.00 0.00 N ATOM 1549 CA SER A 98 -18.658 10.406 -11.870 1.00 0.00 C ATOM 1550 C SER A 98 -19.871 10.124 -10.983 1.00 0.00 C ATOM 1551 O SER A 98 -20.398 9.011 -11.011 1.00 0.00 O ATOM 1552 CB SER A 98 -17.706 9.211 -11.775 1.00 0.00 C ATOM 1553 OG SER A 98 -18.185 8.149 -12.572 1.00 0.00 O ATOM 0 H SER A 98 -18.222 12.000 -10.580 1.00 0.00 H new ATOM 0 HA SER A 98 -19.002 10.544 -12.895 1.00 0.00 H new ATOM 0 HB2 SER A 98 -16.709 9.503 -12.104 1.00 0.00 H new ATOM 0 HB3 SER A 98 -17.617 8.887 -10.738 1.00 0.00 H new ATOM 0 HG SER A 98 -19.129 7.985 -12.365 1.00 0.00 H new