USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 815 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 14 SER OG : rot -32:sc= 1.4 USER MOD Set 1.2: A 97 ASN : amide:sc= 0.581 K(o=2,f=0.26!) USER MOD Set 2.1: A 28 THR OG1 : rot 180:sc= -0.0984 USER MOD Set 2.2: A 31 GLN : amide:sc= 0.725 K(o=0.63,f=-5.4!) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0214 (180deg=-0.296) USER MOD Single : A 1 MET N :NH3+ -156:sc= 0.441 (180deg=-0.0156) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.141 K(o=-0.14,f=-1.1) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -171:sc= 1.23 (180deg=1.18) USER MOD Single : A 37 SER OG : rot -48:sc= 1.25 USER MOD Single : A 44 SER OG : rot -105:sc= 0.884 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 168:sc= 0.667 (180deg=0.571) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 144:sc= 1.26 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0238 X(o=-0.024,f=-0.067) USER MOD Single : A 67 GLN : amide:sc= 0.774 K(o=0.77,f=-9.2!) USER MOD Single : A 69 THR OG1 : rot -11:sc= 0.78 USER MOD Single : A 72 SER OG : rot 64:sc= 1.43 USER MOD Single : A 74 MET CE :methyl 161:sc= -0.0468 (180deg=-0.451) USER MOD Single : A 76 ASN : amide:sc= -0.0264 K(o=-0.026,f=-1.5!) USER MOD Single : A 78 ASN : amide:sc= 0.328 K(o=0.33,f=-3.9!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0.106 K(o=0.11,f=-11!) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0945 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 179:sc= 1.21 (180deg=1.14) USER MOD Single : A 102 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.21) USER MOD Single : A 103 SER OG : rot -51:sc= 1.27 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.659 -4.600 3.240 1.00 0.00 N ATOM 2 CA MET A 1 13.466 -4.107 4.598 1.00 0.00 C ATOM 3 C MET A 1 12.969 -2.667 4.596 1.00 0.00 C ATOM 4 O MET A 1 13.336 -1.875 3.728 1.00 0.00 O ATOM 5 CB MET A 1 14.767 -4.221 5.391 1.00 0.00 C ATOM 6 CG MET A 1 15.305 -5.639 5.517 1.00 0.00 C ATOM 7 SD MET A 1 14.162 -6.743 6.372 1.00 0.00 S ATOM 8 CE MET A 1 14.229 -6.078 8.033 1.00 0.00 C ATOM 0 H1 MET A 1 13.595 -5.638 3.235 1.00 0.00 H new ATOM 0 H2 MET A 1 12.924 -4.205 2.620 1.00 0.00 H new ATOM 0 H3 MET A 1 14.596 -4.309 2.895 1.00 0.00 H new ATOM 0 HA MET A 1 12.705 -4.723 5.077 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.525 -3.599 4.914 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.606 -3.817 6.390 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.511 -6.035 4.523 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.253 -5.617 6.054 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.797 -6.796 8.730 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.267 -5.886 8.307 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.664 -5.147 8.075 1.00 0.00 H new ATOM 18 N ALA A 2 12.133 -2.334 5.573 1.00 0.00 N ATOM 19 CA ALA A 2 11.518 -1.013 5.638 1.00 0.00 C ATOM 20 C ALA A 2 12.574 0.084 5.673 1.00 0.00 C ATOM 21 O ALA A 2 13.526 0.019 6.451 1.00 0.00 O ATOM 22 CB ALA A 2 10.609 -0.912 6.854 1.00 0.00 C ATOM 0 H ALA A 2 11.865 -2.961 6.332 1.00 0.00 H new ATOM 0 HA ALA A 2 10.919 -0.875 4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.157 0.079 6.889 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.825 -1.666 6.786 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.193 -1.077 7.759 1.00 0.00 H new ATOM 28 N GLY A 3 12.399 1.093 4.827 1.00 0.00 N ATOM 29 CA GLY A 3 13.355 2.191 4.735 1.00 0.00 C ATOM 30 C GLY A 3 14.283 2.015 3.541 1.00 0.00 C ATOM 31 O GLY A 3 15.401 2.530 3.530 1.00 0.00 O ATOM 0 H GLY A 3 11.603 1.174 4.194 1.00 0.00 H new ATOM 0 HA2 GLY A 3 12.820 3.136 4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 3 13.943 2.242 5.651 1.00 0.00 H new ATOM 35 N LEU A 4 13.814 1.283 2.536 1.00 0.00 N ATOM 36 CA LEU A 4 14.608 1.024 1.341 1.00 0.00 C ATOM 37 C LEU A 4 14.189 1.932 0.192 1.00 0.00 C ATOM 38 O LEU A 4 13.000 2.088 -0.087 1.00 0.00 O ATOM 39 CB LEU A 4 14.465 -0.444 0.918 1.00 0.00 C ATOM 40 CG LEU A 4 15.206 -0.842 -0.365 1.00 0.00 C ATOM 41 CD1 LEU A 4 16.707 -0.710 -0.147 1.00 0.00 C ATOM 42 CD2 LEU A 4 14.832 -2.266 -0.747 1.00 0.00 C ATOM 0 H LEU A 4 12.887 0.858 2.526 1.00 0.00 H new ATOM 0 HA LEU A 4 15.650 1.233 1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 4 14.823 -1.074 1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 4 13.405 -0.664 0.787 1.00 0.00 H new ATOM 0 HG LEU A 4 14.918 -0.180 -1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 4 17.233 -0.993 -1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 4 16.949 0.322 0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 4 17.015 -1.365 0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 4 15.359 -2.548 -1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 4 15.112 -2.944 0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.757 -2.327 -0.915 1.00 0.00 H new ATOM 54 N THR A 5 15.173 2.531 -0.471 1.00 0.00 N ATOM 55 CA THR A 5 14.909 3.400 -1.612 1.00 0.00 C ATOM 56 C THR A 5 14.155 2.658 -2.707 1.00 0.00 C ATOM 57 O THR A 5 14.494 1.525 -3.049 1.00 0.00 O ATOM 58 CB THR A 5 16.218 3.976 -2.183 1.00 0.00 C ATOM 59 OG1 THR A 5 16.893 4.732 -1.170 1.00 0.00 O ATOM 60 CG2 THR A 5 15.929 4.877 -3.374 1.00 0.00 C ATOM 0 H THR A 5 16.161 2.430 -0.238 1.00 0.00 H new ATOM 0 HA THR A 5 14.288 4.222 -1.256 1.00 0.00 H new ATOM 0 HB THR A 5 16.849 3.149 -2.510 1.00 0.00 H new ATOM 0 HG1 THR A 5 17.727 5.096 -1.535 1.00 0.00 H new ATOM 0 HG21 THR A 5 16.865 5.275 -3.765 1.00 0.00 H new ATOM 0 HG22 THR A 5 15.427 4.302 -4.152 1.00 0.00 H new ATOM 0 HG23 THR A 5 15.288 5.700 -3.060 1.00 0.00 H new ATOM 68 N VAL A 6 13.131 3.303 -3.255 1.00 0.00 N ATOM 69 CA VAL A 6 12.304 2.691 -4.288 1.00 0.00 C ATOM 70 C VAL A 6 13.161 2.095 -5.398 1.00 0.00 C ATOM 71 O VAL A 6 13.929 2.803 -6.050 1.00 0.00 O ATOM 72 CB VAL A 6 11.342 3.733 -4.890 1.00 0.00 C ATOM 73 CG1 VAL A 6 10.570 3.134 -6.056 1.00 0.00 C ATOM 74 CG2 VAL A 6 10.391 4.240 -3.816 1.00 0.00 C ATOM 0 H VAL A 6 12.854 4.251 -3.000 1.00 0.00 H new ATOM 0 HA VAL A 6 11.730 1.890 -3.822 1.00 0.00 H new ATOM 0 HB VAL A 6 11.923 4.575 -5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.895 3.884 -6.469 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.269 2.810 -6.827 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.992 2.278 -5.708 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.713 4.976 -4.248 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.814 3.406 -3.418 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.964 4.702 -3.012 1.00 0.00 H new ATOM 84 N ARG A 7 13.025 0.790 -5.608 1.00 0.00 N ATOM 85 CA ARG A 7 13.851 0.080 -6.577 1.00 0.00 C ATOM 86 C ARG A 7 13.294 0.225 -7.987 1.00 0.00 C ATOM 87 O ARG A 7 14.021 0.085 -8.970 1.00 0.00 O ATOM 88 CB ARG A 7 13.944 -1.396 -6.221 1.00 0.00 C ATOM 89 CG ARG A 7 14.626 -1.693 -4.895 1.00 0.00 C ATOM 90 CD ARG A 7 14.883 -3.145 -4.722 1.00 0.00 C ATOM 91 NE ARG A 7 13.648 -3.912 -4.674 1.00 0.00 N ATOM 92 CZ ARG A 7 13.585 -5.256 -4.603 1.00 0.00 C ATOM 93 NH1 ARG A 7 14.691 -5.966 -4.573 1.00 0.00 N ATOM 94 NH2 ARG A 7 12.410 -5.861 -4.564 1.00 0.00 N ATOM 0 H ARG A 7 12.350 0.202 -5.119 1.00 0.00 H new ATOM 0 HA ARG A 7 14.846 0.523 -6.546 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.937 -1.813 -6.197 1.00 0.00 H new ATOM 0 HB3 ARG A 7 14.484 -1.913 -7.014 1.00 0.00 H new ATOM 0 HG2 ARG A 7 15.568 -1.148 -4.840 1.00 0.00 H new ATOM 0 HG3 ARG A 7 14.002 -1.334 -4.077 1.00 0.00 H new ATOM 0 HD2 ARG A 7 15.502 -3.505 -5.544 1.00 0.00 H new ATOM 0 HD3 ARG A 7 15.447 -3.307 -3.803 1.00 0.00 H new ATOM 0 HE ARG A 7 12.768 -3.396 -4.696 1.00 0.00 H new ATOM 0 HH11 ARG A 7 15.598 -5.499 -4.603 1.00 0.00 H new ATOM 0 HH12 ARG A 7 14.643 -6.983 -4.519 1.00 0.00 H new ATOM 0 HH21 ARG A 7 11.552 -5.310 -4.588 1.00 0.00 H new ATOM 0 HH22 ARG A 7 12.362 -6.878 -4.510 1.00 0.00 H new ATOM 108 N ASP A 8 11.998 0.507 -8.080 1.00 0.00 N ATOM 109 CA ASP A 8 11.339 0.667 -9.371 1.00 0.00 C ATOM 110 C ASP A 8 10.438 1.895 -9.380 1.00 0.00 C ATOM 111 O ASP A 8 9.376 1.903 -8.758 1.00 0.00 O ATOM 112 CB ASP A 8 10.518 -0.578 -9.712 1.00 0.00 C ATOM 113 CG ASP A 8 9.905 -0.520 -11.104 1.00 0.00 C ATOM 114 OD1 ASP A 8 10.033 0.495 -11.747 1.00 0.00 O ATOM 115 OD2 ASP A 8 9.314 -1.492 -11.512 1.00 0.00 O ATOM 0 H ASP A 8 11.383 0.629 -7.275 1.00 0.00 H new ATOM 0 HA ASP A 8 12.115 0.802 -10.124 1.00 0.00 H new ATOM 0 HB2 ASP A 8 11.155 -1.459 -9.638 1.00 0.00 H new ATOM 0 HB3 ASP A 8 9.723 -0.696 -8.975 1.00 0.00 H new ATOM 120 N PRO A 9 10.869 2.933 -10.090 1.00 0.00 N ATOM 121 CA PRO A 9 10.116 4.180 -10.157 1.00 0.00 C ATOM 122 C PRO A 9 8.680 3.934 -10.601 1.00 0.00 C ATOM 123 O PRO A 9 7.765 4.654 -10.201 1.00 0.00 O ATOM 124 CB PRO A 9 10.895 4.998 -11.192 1.00 0.00 C ATOM 125 CG PRO A 9 12.299 4.514 -11.059 1.00 0.00 C ATOM 126 CD PRO A 9 12.163 3.035 -10.810 1.00 0.00 C ATOM 0 HA PRO A 9 10.030 4.684 -9.195 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.511 4.835 -12.199 1.00 0.00 H new ATOM 0 HB3 PRO A 9 10.822 6.067 -10.992 1.00 0.00 H new ATOM 0 HG2 PRO A 9 12.875 4.714 -11.962 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.814 5.010 -10.236 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.152 2.469 -11.741 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.989 2.649 -10.212 1.00 0.00 H new ATOM 134 N ALA A 10 8.489 2.913 -11.429 1.00 0.00 N ATOM 135 CA ALA A 10 7.167 2.588 -11.952 1.00 0.00 C ATOM 136 C ALA A 10 6.205 2.225 -10.829 1.00 0.00 C ATOM 137 O ALA A 10 5.008 2.502 -10.910 1.00 0.00 O ATOM 138 CB ALA A 10 7.261 1.449 -12.957 1.00 0.00 C ATOM 0 H ALA A 10 9.234 2.296 -11.753 1.00 0.00 H new ATOM 0 HA ALA A 10 6.778 3.472 -12.456 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.267 1.218 -13.339 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.907 1.745 -13.783 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.677 0.567 -12.470 1.00 0.00 H new ATOM 144 N VAL A 11 6.734 1.602 -9.781 1.00 0.00 N ATOM 145 CA VAL A 11 5.934 1.256 -8.612 1.00 0.00 C ATOM 146 C VAL A 11 5.491 2.503 -7.858 1.00 0.00 C ATOM 147 O VAL A 11 4.327 2.629 -7.478 1.00 0.00 O ATOM 148 CB VAL A 11 6.739 0.346 -7.665 1.00 0.00 C ATOM 149 CG1 VAL A 11 5.995 0.152 -6.352 1.00 0.00 C ATOM 150 CG2 VAL A 11 7.007 -0.993 -8.336 1.00 0.00 C ATOM 0 H VAL A 11 7.714 1.326 -9.717 1.00 0.00 H new ATOM 0 HA VAL A 11 5.047 0.727 -8.962 1.00 0.00 H new ATOM 0 HB VAL A 11 7.694 0.823 -7.445 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.578 -0.493 -5.695 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.846 1.119 -5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.027 -0.309 -6.547 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.577 -1.631 -7.660 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.060 -1.475 -8.578 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.577 -0.834 -9.251 1.00 0.00 H new ATOM 160 N ASP A 12 6.426 3.423 -7.645 1.00 0.00 N ATOM 161 CA ASP A 12 6.111 4.707 -7.032 1.00 0.00 C ATOM 162 C ASP A 12 5.093 5.479 -7.861 1.00 0.00 C ATOM 163 O ASP A 12 4.180 6.101 -7.318 1.00 0.00 O ATOM 164 CB ASP A 12 7.380 5.546 -6.862 1.00 0.00 C ATOM 165 CG ASP A 12 7.125 6.870 -6.153 1.00 0.00 C ATOM 166 OD1 ASP A 12 6.928 6.855 -4.961 1.00 0.00 O ATOM 167 OD2 ASP A 12 7.131 7.883 -6.811 1.00 0.00 O ATOM 0 H ASP A 12 7.409 3.302 -7.888 1.00 0.00 H new ATOM 0 HA ASP A 12 5.678 4.507 -6.052 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.115 4.973 -6.297 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.814 5.742 -7.843 1.00 0.00 H new ATOM 172 N ARG A 13 5.255 5.434 -9.179 1.00 0.00 N ATOM 173 CA ARG A 13 4.332 6.103 -10.088 1.00 0.00 C ATOM 174 C ARG A 13 2.918 5.556 -9.938 1.00 0.00 C ATOM 175 O ARG A 13 1.955 6.316 -9.843 1.00 0.00 O ATOM 176 CB ARG A 13 4.786 5.938 -11.530 1.00 0.00 C ATOM 177 CG ARG A 13 3.918 6.645 -12.559 1.00 0.00 C ATOM 178 CD ARG A 13 4.473 6.511 -13.931 1.00 0.00 C ATOM 179 NE ARG A 13 3.652 7.196 -14.917 1.00 0.00 N ATOM 180 CZ ARG A 13 3.871 7.169 -16.246 1.00 0.00 C ATOM 181 NH1 ARG A 13 4.887 6.489 -16.731 1.00 0.00 N ATOM 182 NH2 ARG A 13 3.066 7.826 -17.062 1.00 0.00 N ATOM 0 H ARG A 13 6.018 4.940 -9.642 1.00 0.00 H new ATOM 0 HA ARG A 13 4.328 7.162 -9.829 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.806 6.311 -11.619 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.813 4.875 -11.768 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.910 6.230 -12.532 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.835 7.701 -12.301 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.484 6.917 -13.955 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.548 5.455 -14.191 1.00 0.00 H new ATOM 0 HE ARG A 13 2.855 7.735 -14.579 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.509 5.982 -16.101 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.053 6.468 -17.737 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.278 8.354 -16.686 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.232 7.805 -18.068 1.00 0.00 H new ATOM 196 N SER A 14 2.800 4.233 -9.917 1.00 0.00 N ATOM 197 CA SER A 14 1.499 3.581 -9.835 1.00 0.00 C ATOM 198 C SER A 14 0.876 3.767 -8.457 1.00 0.00 C ATOM 199 O SER A 14 -0.345 3.726 -8.307 1.00 0.00 O ATOM 200 CB SER A 14 1.636 2.102 -10.141 1.00 0.00 C ATOM 201 OG SER A 14 2.287 1.431 -9.098 1.00 0.00 O ATOM 0 H SER A 14 3.591 3.590 -9.956 1.00 0.00 H new ATOM 0 HA SER A 14 0.844 4.044 -10.573 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.649 1.667 -10.298 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.194 1.969 -11.068 1.00 0.00 H new ATOM 0 HG SER A 14 2.933 2.034 -8.674 1.00 0.00 H new ATOM 207 N LEU A 15 1.722 3.973 -7.454 1.00 0.00 N ATOM 208 CA LEU A 15 1.254 4.296 -6.111 1.00 0.00 C ATOM 209 C LEU A 15 0.605 5.673 -6.071 1.00 0.00 C ATOM 210 O LEU A 15 -0.511 5.830 -5.575 1.00 0.00 O ATOM 211 CB LEU A 15 2.421 4.244 -5.116 1.00 0.00 C ATOM 212 CG LEU A 15 2.100 4.711 -3.691 1.00 0.00 C ATOM 213 CD1 LEU A 15 0.990 3.846 -3.110 1.00 0.00 C ATOM 214 CD2 LEU A 15 3.357 4.633 -2.836 1.00 0.00 C ATOM 0 H LEU A 15 2.737 3.922 -7.546 1.00 0.00 H new ATOM 0 HA LEU A 15 0.506 3.555 -5.830 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.789 3.219 -5.069 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.234 4.857 -5.505 1.00 0.00 H new ATOM 0 HG LEU A 15 1.757 5.746 -3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.762 4.178 -2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.098 3.934 -3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.314 2.806 -3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.129 4.965 -1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.715 3.604 -2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.128 5.274 -3.263 1.00 0.00 H new ATOM 226 N ARG A 16 1.310 6.670 -6.596 1.00 0.00 N ATOM 227 CA ARG A 16 0.815 8.041 -6.598 1.00 0.00 C ATOM 228 C ARG A 16 -0.265 8.236 -7.654 1.00 0.00 C ATOM 229 O ARG A 16 -1.071 9.163 -7.569 1.00 0.00 O ATOM 230 CB ARG A 16 1.951 9.020 -6.852 1.00 0.00 C ATOM 231 CG ARG A 16 2.920 9.192 -5.693 1.00 0.00 C ATOM 232 CD ARG A 16 3.936 10.238 -5.976 1.00 0.00 C ATOM 233 NE ARG A 16 4.932 9.781 -6.931 1.00 0.00 N ATOM 234 CZ ARG A 16 4.987 10.164 -8.222 1.00 0.00 C ATOM 235 NH1 ARG A 16 4.098 11.009 -8.695 1.00 0.00 N ATOM 236 NH2 ARG A 16 5.935 9.691 -9.012 1.00 0.00 N ATOM 0 H ARG A 16 2.227 6.553 -7.026 1.00 0.00 H new ATOM 0 HA ARG A 16 0.384 8.234 -5.616 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.509 8.687 -7.727 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.525 9.993 -7.097 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.366 9.457 -4.792 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.420 8.244 -5.493 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.442 11.128 -6.365 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.429 10.526 -5.047 1.00 0.00 H new ATOM 0 HE ARG A 16 5.639 9.124 -6.601 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.367 11.375 -8.085 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.139 11.299 -9.672 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.625 9.036 -8.645 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.976 9.981 -9.989 1.00 0.00 H new ATOM 250 N SER A 17 -0.277 7.356 -8.649 1.00 0.00 N ATOM 251 CA SER A 17 -1.340 7.342 -9.647 1.00 0.00 C ATOM 252 C SER A 17 -2.632 6.779 -9.069 1.00 0.00 C ATOM 253 O SER A 17 -2.623 5.753 -8.387 1.00 0.00 O ATOM 254 CB SER A 17 -0.916 6.524 -10.851 1.00 0.00 C ATOM 255 OG SER A 17 -1.954 6.434 -11.788 1.00 0.00 O ATOM 0 H SER A 17 0.439 6.642 -8.786 1.00 0.00 H new ATOM 0 HA SER A 17 -1.524 8.371 -9.956 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.041 6.980 -11.315 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.623 5.524 -10.531 1.00 0.00 H new ATOM 0 HG SER A 17 -1.656 5.903 -12.556 1.00 0.00 H new ATOM 261 N VAL A 18 -3.742 7.454 -9.344 1.00 0.00 N ATOM 262 CA VAL A 18 -5.043 7.030 -8.839 1.00 0.00 C ATOM 263 C VAL A 18 -6.016 6.762 -9.980 1.00 0.00 C ATOM 264 O VAL A 18 -6.242 7.623 -10.831 1.00 0.00 O ATOM 265 CB VAL A 18 -5.631 8.106 -7.908 1.00 0.00 C ATOM 266 CG1 VAL A 18 -7.009 7.689 -7.416 1.00 0.00 C ATOM 267 CG2 VAL A 18 -4.691 8.348 -6.737 1.00 0.00 C ATOM 0 H VAL A 18 -3.767 8.299 -9.915 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.897 6.105 -8.281 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.739 9.036 -8.466 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.410 8.461 -6.759 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.675 7.556 -8.269 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.931 6.750 -6.867 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.114 9.110 -6.083 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.561 7.422 -6.178 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.724 8.686 -7.110 1.00 0.00 H new ATOM 277 N PHE A 19 -6.590 5.564 -9.992 1.00 0.00 N ATOM 278 CA PHE A 19 -7.532 5.177 -11.036 1.00 0.00 C ATOM 279 C PHE A 19 -8.928 5.713 -10.744 1.00 0.00 C ATOM 280 O PHE A 19 -9.468 5.508 -9.657 1.00 0.00 O ATOM 281 CB PHE A 19 -7.583 3.654 -11.171 1.00 0.00 C ATOM 282 CG PHE A 19 -8.551 3.170 -12.213 1.00 0.00 C ATOM 283 CD1 PHE A 19 -8.334 3.435 -13.557 1.00 0.00 C ATOM 284 CD2 PHE A 19 -9.680 2.450 -11.852 1.00 0.00 C ATOM 285 CE1 PHE A 19 -9.223 2.990 -14.517 1.00 0.00 C ATOM 286 CE2 PHE A 19 -10.570 2.004 -12.810 1.00 0.00 C ATOM 287 CZ PHE A 19 -10.341 2.275 -14.144 1.00 0.00 C ATOM 0 H PHE A 19 -6.419 4.844 -9.290 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.184 5.610 -11.974 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.586 3.287 -11.416 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.854 3.222 -10.208 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.461 3.995 -13.857 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.866 2.235 -10.810 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.042 3.203 -15.560 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.445 1.443 -12.515 1.00 0.00 H new ATOM 0 HZ PHE A 19 -11.036 1.928 -14.894 1.00 0.00 H new ATOM 297 N VAL A 20 -9.508 6.401 -11.722 1.00 0.00 N ATOM 298 CA VAL A 20 -10.860 6.930 -11.589 1.00 0.00 C ATOM 299 C VAL A 20 -11.755 6.444 -12.722 1.00 0.00 C ATOM 300 O VAL A 20 -11.373 6.490 -13.891 1.00 0.00 O ATOM 301 CB VAL A 20 -10.834 8.470 -11.583 1.00 0.00 C ATOM 302 CG1 VAL A 20 -12.240 9.026 -11.418 1.00 0.00 C ATOM 303 CG2 VAL A 20 -9.923 8.968 -10.472 1.00 0.00 C ATOM 0 H VAL A 20 -9.062 6.605 -12.616 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.266 6.568 -10.644 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.443 8.821 -12.538 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -12.203 10.115 -11.416 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -12.865 8.686 -12.244 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -12.662 8.676 -10.476 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.909 10.058 -10.474 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.293 8.611 -9.511 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.913 8.592 -10.634 1.00 0.00 H new ATOM 313 N GLY A 21 -12.949 5.979 -12.369 1.00 0.00 N ATOM 314 CA GLY A 21 -13.887 5.451 -13.352 1.00 0.00 C ATOM 315 C GLY A 21 -15.279 6.038 -13.156 1.00 0.00 C ATOM 316 O GLY A 21 -15.489 6.885 -12.289 1.00 0.00 O ATOM 0 H GLY A 21 -13.290 5.957 -11.408 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.531 5.679 -14.357 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.932 4.365 -13.269 1.00 0.00 H new ATOM 320 N ASN A 22 -16.227 5.582 -13.968 1.00 0.00 N ATOM 321 CA ASN A 22 -17.579 6.127 -13.948 1.00 0.00 C ATOM 322 C ASN A 22 -17.576 7.621 -14.245 1.00 0.00 C ATOM 323 O ASN A 22 -18.350 8.381 -13.663 1.00 0.00 O ATOM 324 CB ASN A 22 -18.247 5.849 -12.614 1.00 0.00 C ATOM 325 CG ASN A 22 -18.457 4.381 -12.367 1.00 0.00 C ATOM 326 OD1 ASN A 22 -18.514 3.582 -13.310 1.00 0.00 O ATOM 327 ND2 ASN A 22 -18.572 4.009 -11.118 1.00 0.00 N ATOM 0 H ASN A 22 -16.083 4.836 -14.648 1.00 0.00 H new ATOM 0 HA ASN A 22 -18.151 5.631 -14.732 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.636 6.265 -11.813 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -19.209 6.361 -12.580 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -18.715 3.025 -10.890 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -18.519 4.703 -10.372 1.00 0.00 H new ATOM 334 N ILE A 23 -16.701 8.036 -15.154 1.00 0.00 N ATOM 335 CA ILE A 23 -16.573 9.445 -15.507 1.00 0.00 C ATOM 336 C ILE A 23 -17.527 9.820 -16.633 1.00 0.00 C ATOM 337 O ILE A 23 -17.471 9.250 -17.723 1.00 0.00 O ATOM 338 CB ILE A 23 -15.129 9.778 -15.925 1.00 0.00 C ATOM 339 CG1 ILE A 23 -14.166 9.533 -14.760 1.00 0.00 C ATOM 340 CG2 ILE A 23 -15.032 11.217 -16.406 1.00 0.00 C ATOM 341 CD1 ILE A 23 -12.707 9.616 -15.146 1.00 0.00 C ATOM 0 H ILE A 23 -16.069 7.416 -15.660 1.00 0.00 H new ATOM 0 HA ILE A 23 -16.831 10.025 -14.621 1.00 0.00 H new ATOM 0 HB ILE A 23 -14.847 9.122 -16.749 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -14.367 10.263 -13.976 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -14.365 8.548 -14.338 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -14.004 11.435 -16.697 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -15.690 11.359 -17.263 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -15.332 11.890 -15.603 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.087 9.431 -14.268 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.489 8.868 -15.908 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.491 10.609 -15.540 1.00 0.00 H new ATOM 353 N PRO A 24 -18.403 10.782 -16.364 1.00 0.00 N ATOM 354 CA PRO A 24 -19.323 11.286 -17.377 1.00 0.00 C ATOM 355 C PRO A 24 -18.571 11.787 -18.603 1.00 0.00 C ATOM 356 O PRO A 24 -17.555 12.471 -18.484 1.00 0.00 O ATOM 357 CB PRO A 24 -20.043 12.427 -16.651 1.00 0.00 C ATOM 358 CG PRO A 24 -19.953 12.058 -15.209 1.00 0.00 C ATOM 359 CD PRO A 24 -18.585 11.445 -15.065 1.00 0.00 C ATOM 0 HA PRO A 24 -20.006 10.526 -17.756 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -19.566 13.387 -16.847 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -21.080 12.514 -16.976 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -20.067 12.932 -14.567 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -20.736 11.353 -14.929 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.819 12.198 -14.882 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -18.541 10.737 -14.237 1.00 0.00 H new ATOM 367 N TYR A 25 -19.078 11.443 -19.782 1.00 0.00 N ATOM 368 CA TYR A 25 -18.468 11.876 -21.034 1.00 0.00 C ATOM 369 C TYR A 25 -18.524 13.391 -21.179 1.00 0.00 C ATOM 370 O TYR A 25 -17.745 13.982 -21.927 1.00 0.00 O ATOM 371 CB TYR A 25 -19.154 11.203 -22.225 1.00 0.00 C ATOM 372 CG TYR A 25 -20.549 11.722 -22.498 1.00 0.00 C ATOM 373 CD1 TYR A 25 -20.736 12.780 -23.376 1.00 0.00 C ATOM 374 CD2 TYR A 25 -21.640 11.141 -21.871 1.00 0.00 C ATOM 375 CE1 TYR A 25 -22.009 13.254 -23.626 1.00 0.00 C ATOM 376 CE2 TYR A 25 -22.914 11.614 -22.120 1.00 0.00 C ATOM 377 CZ TYR A 25 -23.100 12.666 -22.994 1.00 0.00 C ATOM 378 OH TYR A 25 -24.368 13.138 -23.243 1.00 0.00 O ATOM 0 H TYR A 25 -19.911 10.865 -19.897 1.00 0.00 H new ATOM 0 HA TYR A 25 -17.420 11.577 -21.017 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -18.542 11.348 -23.115 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -19.205 10.129 -22.044 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -19.886 13.233 -23.864 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -21.494 10.318 -21.187 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -22.157 14.077 -24.309 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -23.764 11.161 -21.631 1.00 0.00 H new ATOM 0 HH TYR A 25 -25.018 12.619 -22.724 1.00 0.00 H new ATOM 388 N GLU A 26 -19.449 14.016 -20.458 1.00 0.00 N ATOM 389 CA GLU A 26 -19.578 15.468 -20.469 1.00 0.00 C ATOM 390 C GLU A 26 -18.477 16.125 -19.647 1.00 0.00 C ATOM 391 O GLU A 26 -18.124 17.282 -19.877 1.00 0.00 O ATOM 392 CB GLU A 26 -20.949 15.886 -19.932 1.00 0.00 C ATOM 393 CG GLU A 26 -22.119 15.492 -20.822 1.00 0.00 C ATOM 394 CD GLU A 26 -23.448 15.919 -20.263 1.00 0.00 C ATOM 395 OE1 GLU A 26 -23.493 16.311 -19.122 1.00 0.00 O ATOM 396 OE2 GLU A 26 -24.420 15.853 -20.978 1.00 0.00 O ATOM 0 H GLU A 26 -20.121 13.538 -19.858 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.481 15.803 -21.502 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -21.091 15.441 -18.947 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -20.959 16.968 -19.797 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -21.985 15.937 -21.808 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -22.118 14.410 -20.958 1.00 0.00 H new ATOM 403 N ALA A 27 -17.939 15.381 -18.687 1.00 0.00 N ATOM 404 CA ALA A 27 -16.913 15.907 -17.795 1.00 0.00 C ATOM 405 C ALA A 27 -15.563 15.990 -18.496 1.00 0.00 C ATOM 406 O ALA A 27 -15.085 15.006 -19.061 1.00 0.00 O ATOM 407 CB ALA A 27 -16.807 15.048 -16.543 1.00 0.00 C ATOM 0 H ALA A 27 -18.197 14.411 -18.507 1.00 0.00 H new ATOM 0 HA ALA A 27 -17.205 16.917 -17.506 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -16.037 15.454 -15.887 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.764 15.046 -16.021 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.544 14.028 -16.823 1.00 0.00 H new ATOM 413 N THR A 28 -14.952 17.169 -18.456 1.00 0.00 N ATOM 414 CA THR A 28 -13.645 17.376 -19.068 1.00 0.00 C ATOM 415 C THR A 28 -12.522 17.059 -18.089 1.00 0.00 C ATOM 416 O THR A 28 -12.753 16.919 -16.888 1.00 0.00 O ATOM 417 CB THR A 28 -13.494 18.821 -19.578 1.00 0.00 C ATOM 418 OG1 THR A 28 -13.491 19.725 -18.465 1.00 0.00 O ATOM 419 CG2 THR A 28 -14.639 19.179 -20.513 1.00 0.00 C ATOM 0 H THR A 28 -15.342 17.997 -18.005 1.00 0.00 H new ATOM 0 HA THR A 28 -13.574 16.694 -19.915 1.00 0.00 H new ATOM 0 HB THR A 28 -12.554 18.901 -20.124 1.00 0.00 H new ATOM 0 HG1 THR A 28 -13.393 20.644 -18.790 1.00 0.00 H new ATOM 0 HG21 THR A 28 -14.516 20.204 -20.864 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.637 18.501 -21.366 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.586 19.089 -19.980 1.00 0.00 H new ATOM 427 N GLU A 29 -11.305 16.946 -18.610 1.00 0.00 N ATOM 428 CA GLU A 29 -10.141 16.650 -17.782 1.00 0.00 C ATOM 429 C GLU A 29 -9.899 17.752 -16.759 1.00 0.00 C ATOM 430 O GLU A 29 -9.540 17.481 -15.613 1.00 0.00 O ATOM 431 CB GLU A 29 -8.898 16.469 -18.655 1.00 0.00 C ATOM 432 CG GLU A 29 -8.887 15.187 -19.476 1.00 0.00 C ATOM 433 CD GLU A 29 -7.678 15.070 -20.361 1.00 0.00 C ATOM 434 OE1 GLU A 29 -7.239 16.072 -20.872 1.00 0.00 O ATOM 435 OE2 GLU A 29 -7.192 13.976 -20.528 1.00 0.00 O ATOM 0 H GLU A 29 -11.099 17.055 -19.603 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.340 15.722 -17.246 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.817 17.320 -19.331 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.015 16.484 -18.016 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.923 14.330 -18.803 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.786 15.147 -20.091 1.00 0.00 H new ATOM 442 N GLU A 30 -10.098 18.997 -17.179 1.00 0.00 N ATOM 443 CA GLU A 30 -9.830 20.147 -16.324 1.00 0.00 C ATOM 444 C GLU A 30 -10.831 20.227 -15.178 1.00 0.00 C ATOM 445 O GLU A 30 -10.480 20.603 -14.060 1.00 0.00 O ATOM 446 CB GLU A 30 -9.870 21.440 -17.140 1.00 0.00 C ATOM 447 CG GLU A 30 -8.762 21.565 -18.176 1.00 0.00 C ATOM 448 CD GLU A 30 -7.387 21.503 -17.572 1.00 0.00 C ATOM 449 OE1 GLU A 30 -7.145 22.203 -16.619 1.00 0.00 O ATOM 450 OE2 GLU A 30 -6.577 20.753 -18.064 1.00 0.00 O ATOM 0 H GLU A 30 -10.445 19.235 -18.108 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.833 20.022 -15.901 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.833 21.506 -17.646 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.810 22.288 -16.458 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.867 20.767 -18.911 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.876 22.508 -18.711 1.00 0.00 H new ATOM 457 N GLN A 31 -12.078 19.870 -15.464 1.00 0.00 N ATOM 458 CA GLN A 31 -13.106 19.788 -14.433 1.00 0.00 C ATOM 459 C GLN A 31 -12.778 18.704 -13.413 1.00 0.00 C ATOM 460 O GLN A 31 -12.993 18.882 -12.214 1.00 0.00 O ATOM 461 CB GLN A 31 -14.476 19.516 -15.062 1.00 0.00 C ATOM 462 CG GLN A 31 -15.052 20.693 -15.831 1.00 0.00 C ATOM 463 CD GLN A 31 -16.345 20.342 -16.541 1.00 0.00 C ATOM 464 OE1 GLN A 31 -16.451 19.297 -17.189 1.00 0.00 O ATOM 465 NE2 GLN A 31 -17.339 21.216 -16.425 1.00 0.00 N ATOM 0 H GLN A 31 -12.402 19.633 -16.402 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.136 20.747 -13.916 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -14.392 18.663 -15.735 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -15.175 19.233 -14.275 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -15.231 21.520 -15.144 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.321 21.038 -16.562 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -17.208 22.068 -15.879 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -18.233 21.035 -16.882 1.00 0.00 H new ATOM 474 N LEU A 32 -12.257 17.582 -13.897 1.00 0.00 N ATOM 475 CA LEU A 32 -11.844 16.490 -13.023 1.00 0.00 C ATOM 476 C LEU A 32 -10.636 16.883 -12.184 1.00 0.00 C ATOM 477 O LEU A 32 -10.534 16.515 -11.014 1.00 0.00 O ATOM 478 CB LEU A 32 -11.515 15.243 -13.853 1.00 0.00 C ATOM 479 CG LEU A 32 -12.705 14.580 -14.559 1.00 0.00 C ATOM 480 CD1 LEU A 32 -12.194 13.545 -15.553 1.00 0.00 C ATOM 481 CD2 LEU A 32 -13.617 13.940 -13.523 1.00 0.00 C ATOM 0 H LEU A 32 -12.110 17.405 -14.891 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.672 16.269 -12.350 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.775 15.515 -14.606 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.048 14.507 -13.199 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.278 15.328 -15.106 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.039 13.074 -16.055 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.559 14.033 -16.293 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.617 12.786 -15.024 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.463 13.469 -14.024 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.061 13.187 -12.964 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.982 14.705 -12.837 1.00 0.00 H new ATOM 493 N LYS A 33 -9.721 17.633 -12.789 1.00 0.00 N ATOM 494 CA LYS A 33 -8.551 18.137 -12.078 1.00 0.00 C ATOM 495 C LYS A 33 -8.958 18.993 -10.886 1.00 0.00 C ATOM 496 O LYS A 33 -8.362 18.902 -9.812 1.00 0.00 O ATOM 497 CB LYS A 33 -7.656 18.941 -13.022 1.00 0.00 C ATOM 498 CG LYS A 33 -6.876 18.097 -14.021 1.00 0.00 C ATOM 499 CD LYS A 33 -6.074 18.970 -14.975 1.00 0.00 C ATOM 500 CE LYS A 33 -5.396 18.136 -16.052 1.00 0.00 C ATOM 501 NZ LYS A 33 -4.657 18.982 -17.028 1.00 0.00 N ATOM 0 H LYS A 33 -9.767 17.906 -13.771 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.992 17.279 -11.706 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.273 19.653 -13.570 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.951 19.522 -12.428 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.204 17.426 -13.487 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.565 17.472 -14.589 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.733 19.703 -15.441 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.322 19.527 -14.416 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.706 17.433 -15.586 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.145 17.545 -16.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.339 18.395 -17.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.283 19.734 -17.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.831 19.409 -16.562 1.00 0.00 H new ATOM 515 N ASP A 34 -9.975 19.825 -11.080 1.00 0.00 N ATOM 516 CA ASP A 34 -10.517 20.639 -9.999 1.00 0.00 C ATOM 517 C ASP A 34 -11.008 19.770 -8.848 1.00 0.00 C ATOM 518 O ASP A 34 -10.749 20.064 -7.681 1.00 0.00 O ATOM 519 CB ASP A 34 -11.663 21.515 -10.509 1.00 0.00 C ATOM 520 CG ASP A 34 -11.186 22.654 -11.402 1.00 0.00 C ATOM 521 OD1 ASP A 34 -10.010 22.928 -11.404 1.00 0.00 O ATOM 522 OD2 ASP A 34 -12.003 23.238 -12.072 1.00 0.00 O ATOM 0 H ASP A 34 -10.441 19.953 -11.978 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.714 21.278 -9.632 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.368 20.896 -11.064 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.204 21.929 -9.658 1.00 0.00 H new ATOM 527 N ILE A 35 -11.718 18.698 -9.184 1.00 0.00 N ATOM 528 CA ILE A 35 -12.161 17.729 -8.188 1.00 0.00 C ATOM 529 C ILE A 35 -10.977 17.124 -7.445 1.00 0.00 C ATOM 530 O ILE A 35 -11.022 16.944 -6.228 1.00 0.00 O ATOM 531 CB ILE A 35 -12.985 16.606 -8.843 1.00 0.00 C ATOM 532 CG1 ILE A 35 -14.326 17.150 -9.343 1.00 0.00 C ATOM 533 CG2 ILE A 35 -13.203 15.465 -7.862 1.00 0.00 C ATOM 534 CD1 ILE A 35 -15.077 16.193 -10.240 1.00 0.00 C ATOM 0 H ILE A 35 -11.999 18.478 -10.140 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.789 18.261 -7.474 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.429 16.222 -9.698 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -14.951 17.394 -8.484 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -14.151 18.079 -9.885 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.787 14.680 -8.341 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.239 15.062 -7.552 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.740 15.834 -6.988 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -16.016 16.649 -10.553 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -14.472 15.967 -11.118 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -15.285 15.272 -9.696 1.00 0.00 H new ATOM 546 N PHE A 36 -9.918 16.811 -8.184 1.00 0.00 N ATOM 547 CA PHE A 36 -8.750 16.155 -7.610 1.00 0.00 C ATOM 548 C PHE A 36 -7.952 17.115 -6.736 1.00 0.00 C ATOM 549 O PHE A 36 -7.330 16.706 -5.755 1.00 0.00 O ATOM 550 CB PHE A 36 -7.852 15.598 -8.716 1.00 0.00 C ATOM 551 CG PHE A 36 -8.535 14.599 -9.606 1.00 0.00 C ATOM 552 CD1 PHE A 36 -8.232 14.532 -10.958 1.00 0.00 C ATOM 553 CD2 PHE A 36 -9.482 13.725 -9.093 1.00 0.00 C ATOM 554 CE1 PHE A 36 -8.860 13.613 -11.777 1.00 0.00 C ATOM 555 CE2 PHE A 36 -10.110 12.805 -9.910 1.00 0.00 C ATOM 556 CZ PHE A 36 -9.799 12.750 -11.253 1.00 0.00 C ATOM 0 H PHE A 36 -9.845 17.002 -9.183 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.105 15.334 -6.987 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.488 16.425 -9.326 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.980 15.129 -8.261 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.498 15.205 -11.375 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.731 13.764 -8.043 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.615 13.571 -12.828 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -10.844 12.129 -9.498 1.00 0.00 H new ATOM 0 HZ PHE A 36 -10.290 12.032 -11.893 1.00 0.00 H new ATOM 566 N SER A 37 -7.973 18.393 -7.098 1.00 0.00 N ATOM 567 CA SER A 37 -7.192 19.402 -6.394 1.00 0.00 C ATOM 568 C SER A 37 -7.710 19.611 -4.977 1.00 0.00 C ATOM 569 O SER A 37 -6.997 20.122 -4.114 1.00 0.00 O ATOM 570 CB SER A 37 -7.227 20.714 -7.153 1.00 0.00 C ATOM 571 OG SER A 37 -8.485 21.322 -7.046 1.00 0.00 O ATOM 0 H SER A 37 -8.524 18.755 -7.877 1.00 0.00 H new ATOM 0 HA SER A 37 -6.163 19.047 -6.333 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.461 21.384 -6.763 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.992 20.537 -8.203 1.00 0.00 H new ATOM 0 HG SER A 37 -9.184 20.662 -7.236 1.00 0.00 H new ATOM 577 N GLU A 38 -8.956 19.211 -4.744 1.00 0.00 N ATOM 578 CA GLU A 38 -9.549 19.288 -3.414 1.00 0.00 C ATOM 579 C GLU A 38 -8.863 18.329 -2.449 1.00 0.00 C ATOM 580 O GLU A 38 -8.825 18.569 -1.242 1.00 0.00 O ATOM 581 CB GLU A 38 -11.046 18.979 -3.478 1.00 0.00 C ATOM 582 CG GLU A 38 -11.878 20.042 -4.182 1.00 0.00 C ATOM 583 CD GLU A 38 -13.354 19.766 -4.117 1.00 0.00 C ATOM 584 OE1 GLU A 38 -13.726 18.740 -3.600 1.00 0.00 O ATOM 585 OE2 GLU A 38 -14.112 20.584 -4.586 1.00 0.00 O ATOM 0 H GLU A 38 -9.575 18.830 -5.460 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.409 20.304 -3.046 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.187 18.027 -3.990 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.422 18.854 -2.463 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.675 21.013 -3.731 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.571 20.105 -5.226 1.00 0.00 H new ATOM 592 N VAL A 39 -8.323 17.241 -2.988 1.00 0.00 N ATOM 593 CA VAL A 39 -7.626 16.250 -2.178 1.00 0.00 C ATOM 594 C VAL A 39 -6.205 16.696 -1.862 1.00 0.00 C ATOM 595 O VAL A 39 -5.771 16.652 -0.710 1.00 0.00 O ATOM 596 CB VAL A 39 -7.585 14.895 -2.909 1.00 0.00 C ATOM 597 CG1 VAL A 39 -6.728 13.900 -2.141 1.00 0.00 C ATOM 598 CG2 VAL A 39 -8.998 14.362 -3.092 1.00 0.00 C ATOM 0 H VAL A 39 -8.355 17.023 -3.984 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.174 16.144 -1.242 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.136 15.038 -3.892 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.711 12.948 -2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.712 14.286 -2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.146 13.752 -1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.961 13.403 -3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.466 14.230 -2.117 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.581 15.070 -3.681 1.00 0.00 H new ATOM 608 N GLY A 40 -5.483 17.126 -2.891 1.00 0.00 N ATOM 609 CA GLY A 40 -4.104 17.573 -2.726 1.00 0.00 C ATOM 610 C GLY A 40 -3.479 17.936 -4.067 1.00 0.00 C ATOM 611 O GLY A 40 -4.143 17.899 -5.103 1.00 0.00 O ATOM 0 H GLY A 40 -5.830 17.175 -3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.076 18.437 -2.063 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.518 16.787 -2.250 1.00 0.00 H new ATOM 615 N PRO A 41 -2.198 18.288 -4.041 1.00 0.00 N ATOM 616 CA PRO A 41 -1.486 18.679 -5.252 1.00 0.00 C ATOM 617 C PRO A 41 -1.513 17.565 -6.290 1.00 0.00 C ATOM 618 O PRO A 41 -1.251 16.403 -5.976 1.00 0.00 O ATOM 619 CB PRO A 41 -0.065 18.945 -4.745 1.00 0.00 C ATOM 620 CG PRO A 41 -0.251 19.317 -3.314 1.00 0.00 C ATOM 621 CD PRO A 41 -1.368 18.427 -2.837 1.00 0.00 C ATOM 0 HA PRO A 41 -1.926 19.541 -5.753 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.566 18.062 -4.848 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.414 19.747 -5.306 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.661 19.153 -2.739 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.510 20.371 -3.208 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.998 17.464 -2.486 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.921 18.876 -2.012 1.00 0.00 H new ATOM 629 N VAL A 42 -1.830 17.925 -7.529 1.00 0.00 N ATOM 630 CA VAL A 42 -1.881 16.958 -8.619 1.00 0.00 C ATOM 631 C VAL A 42 -0.805 17.242 -9.659 1.00 0.00 C ATOM 632 O VAL A 42 -0.688 18.362 -10.155 1.00 0.00 O ATOM 633 CB VAL A 42 -3.265 16.988 -9.295 1.00 0.00 C ATOM 634 CG1 VAL A 42 -3.306 16.019 -10.467 1.00 0.00 C ATOM 635 CG2 VAL A 42 -4.346 16.651 -8.279 1.00 0.00 C ATOM 0 H VAL A 42 -2.056 18.881 -7.804 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.703 15.970 -8.194 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.449 17.991 -9.679 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.291 16.053 -10.933 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.549 16.301 -11.199 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.108 15.008 -10.110 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.322 16.674 -8.765 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.166 15.655 -7.873 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.326 17.382 -7.470 1.00 0.00 H new ATOM 645 N VAL A 43 -0.020 16.220 -9.984 1.00 0.00 N ATOM 646 CA VAL A 43 1.054 16.360 -10.960 1.00 0.00 C ATOM 647 C VAL A 43 0.510 16.342 -12.383 1.00 0.00 C ATOM 648 O VAL A 43 0.829 17.215 -13.191 1.00 0.00 O ATOM 649 CB VAL A 43 2.081 15.224 -10.792 1.00 0.00 C ATOM 650 CG1 VAL A 43 3.114 15.271 -11.908 1.00 0.00 C ATOM 651 CG2 VAL A 43 2.751 15.330 -9.431 1.00 0.00 C ATOM 0 H VAL A 43 -0.108 15.285 -9.585 1.00 0.00 H new ATOM 0 HA VAL A 43 1.539 17.320 -10.783 1.00 0.00 H new ATOM 0 HB VAL A 43 1.563 14.267 -10.852 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.832 14.462 -11.774 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.615 15.158 -12.871 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.636 16.227 -11.880 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.476 14.524 -9.319 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.261 16.290 -9.350 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.997 15.252 -8.647 1.00 0.00 H new ATOM 661 N SER A 44 -0.312 15.343 -12.684 1.00 0.00 N ATOM 662 CA SER A 44 -0.848 15.171 -14.030 1.00 0.00 C ATOM 663 C SER A 44 -2.143 14.370 -14.008 1.00 0.00 C ATOM 664 O SER A 44 -2.465 13.719 -13.014 1.00 0.00 O ATOM 665 CB SER A 44 0.171 14.478 -14.912 1.00 0.00 C ATOM 666 OG SER A 44 0.301 13.127 -14.565 1.00 0.00 O ATOM 0 H SER A 44 -0.622 14.639 -12.014 1.00 0.00 H new ATOM 0 HA SER A 44 -1.064 16.159 -14.435 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.130 14.561 -15.956 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.136 14.976 -14.818 1.00 0.00 H new ATOM 0 HG SER A 44 1.138 12.995 -14.073 1.00 0.00 H new ATOM 672 N PHE A 45 -2.883 14.421 -15.110 1.00 0.00 N ATOM 673 CA PHE A 45 -4.061 13.579 -15.282 1.00 0.00 C ATOM 674 C PHE A 45 -4.300 13.259 -16.753 1.00 0.00 C ATOM 675 O PHE A 45 -4.134 14.117 -17.619 1.00 0.00 O ATOM 676 CB PHE A 45 -5.298 14.265 -14.698 1.00 0.00 C ATOM 677 CG PHE A 45 -6.585 13.553 -15.002 1.00 0.00 C ATOM 678 CD1 PHE A 45 -6.867 12.323 -14.427 1.00 0.00 C ATOM 679 CD2 PHE A 45 -7.517 14.112 -15.863 1.00 0.00 C ATOM 680 CE1 PHE A 45 -8.052 11.668 -14.706 1.00 0.00 C ATOM 681 CE2 PHE A 45 -8.702 13.461 -16.143 1.00 0.00 C ATOM 682 CZ PHE A 45 -8.969 12.236 -15.564 1.00 0.00 C ATOM 0 H PHE A 45 -2.687 15.038 -15.899 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.881 12.645 -14.749 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.183 14.342 -13.617 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.356 15.282 -15.086 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.153 11.872 -13.754 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.313 15.069 -16.321 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.259 10.711 -14.251 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -9.419 13.909 -16.814 1.00 0.00 H new ATOM 0 HZ PHE A 45 -9.894 11.724 -15.783 1.00 0.00 H new ATOM 692 N ARG A 46 -4.689 12.019 -17.027 1.00 0.00 N ATOM 693 CA ARG A 46 -5.012 11.600 -18.386 1.00 0.00 C ATOM 694 C ARG A 46 -6.330 10.837 -18.428 1.00 0.00 C ATOM 695 O ARG A 46 -6.463 9.776 -17.818 1.00 0.00 O ATOM 696 CB ARG A 46 -3.904 10.727 -18.955 1.00 0.00 C ATOM 697 CG ARG A 46 -2.573 11.432 -19.156 1.00 0.00 C ATOM 698 CD ARG A 46 -2.637 12.424 -20.260 1.00 0.00 C ATOM 699 NE ARG A 46 -1.351 13.060 -20.493 1.00 0.00 N ATOM 700 CZ ARG A 46 -0.917 14.166 -19.857 1.00 0.00 C ATOM 701 NH1 ARG A 46 -1.677 14.745 -18.953 1.00 0.00 N ATOM 702 NH2 ARG A 46 0.271 14.668 -20.141 1.00 0.00 N ATOM 0 H ARG A 46 -4.788 11.285 -16.325 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.109 12.501 -18.992 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.752 9.878 -18.288 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.234 10.325 -19.913 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.284 11.934 -18.232 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.800 10.695 -19.374 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.968 11.930 -21.173 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.380 13.185 -20.022 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.733 12.639 -21.187 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.594 14.357 -18.734 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.349 15.582 -18.471 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.860 14.219 -20.842 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.599 15.505 -19.660 1.00 0.00 H new ATOM 716 N LEU A 47 -7.301 11.382 -19.153 1.00 0.00 N ATOM 717 CA LEU A 47 -8.555 10.682 -19.403 1.00 0.00 C ATOM 718 C LEU A 47 -8.476 9.849 -20.676 1.00 0.00 C ATOM 719 O LEU A 47 -8.089 10.347 -21.733 1.00 0.00 O ATOM 720 CB LEU A 47 -9.709 11.686 -19.513 1.00 0.00 C ATOM 721 CG LEU A 47 -11.097 11.080 -19.762 1.00 0.00 C ATOM 722 CD1 LEU A 47 -11.516 10.257 -18.551 1.00 0.00 C ATOM 723 CD2 LEU A 47 -12.095 12.194 -20.039 1.00 0.00 C ATOM 0 H LEU A 47 -7.243 12.307 -19.578 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.737 10.011 -18.563 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.747 12.270 -18.593 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.486 12.381 -20.322 1.00 0.00 H new ATOM 0 HG LEU A 47 -11.067 10.422 -20.631 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -12.502 9.826 -18.727 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -10.794 9.457 -18.388 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -11.552 10.898 -17.670 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -13.081 11.764 -20.216 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -12.140 12.864 -19.180 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.780 12.754 -20.920 1.00 0.00 H new ATOM 735 N VAL A 48 -8.846 8.577 -20.569 1.00 0.00 N ATOM 736 CA VAL A 48 -8.742 7.651 -21.690 1.00 0.00 C ATOM 737 C VAL A 48 -9.846 7.897 -22.711 1.00 0.00 C ATOM 738 O VAL A 48 -11.030 7.875 -22.377 1.00 0.00 O ATOM 739 CB VAL A 48 -8.823 6.196 -21.192 1.00 0.00 C ATOM 740 CG1 VAL A 48 -8.796 5.229 -22.366 1.00 0.00 C ATOM 741 CG2 VAL A 48 -7.677 5.913 -20.233 1.00 0.00 C ATOM 0 H VAL A 48 -9.221 8.164 -19.715 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.778 7.819 -22.170 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.765 6.055 -20.661 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.854 4.205 -21.996 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.645 5.427 -23.020 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.869 5.361 -22.925 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.740 4.882 -19.885 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.727 6.065 -20.746 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.741 6.589 -19.380 1.00 0.00 H new ATOM 751 N TYR A 49 -9.450 8.132 -23.958 1.00 0.00 N ATOM 752 CA TYR A 49 -10.406 8.358 -25.035 1.00 0.00 C ATOM 753 C TYR A 49 -10.445 7.175 -25.994 1.00 0.00 C ATOM 754 O TYR A 49 -9.463 6.448 -26.138 1.00 0.00 O ATOM 755 CB TYR A 49 -10.064 9.644 -25.792 1.00 0.00 C ATOM 756 CG TYR A 49 -10.234 10.901 -24.968 1.00 0.00 C ATOM 757 CD1 TYR A 49 -9.149 11.438 -24.292 1.00 0.00 C ATOM 758 CD2 TYR A 49 -11.474 11.516 -24.889 1.00 0.00 C ATOM 759 CE1 TYR A 49 -9.303 12.587 -23.539 1.00 0.00 C ATOM 760 CE2 TYR A 49 -11.629 12.664 -24.137 1.00 0.00 C ATOM 761 CZ TYR A 49 -10.549 13.199 -23.464 1.00 0.00 C ATOM 762 OH TYR A 49 -10.704 14.342 -22.714 1.00 0.00 O ATOM 0 H TYR A 49 -8.473 8.171 -24.247 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.395 8.464 -24.589 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.033 9.586 -26.141 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -10.696 9.713 -26.677 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.183 10.958 -24.354 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -12.319 11.097 -25.416 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.459 13.007 -23.012 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -12.595 13.143 -24.075 1.00 0.00 H new ATOM 0 HH TYR A 49 -11.635 14.644 -22.767 1.00 0.00 H new ATOM 772 N ASP A 50 -11.587 6.988 -26.648 1.00 0.00 N ATOM 773 CA ASP A 50 -11.747 5.909 -27.616 1.00 0.00 C ATOM 774 C ASP A 50 -10.869 6.133 -28.840 1.00 0.00 C ATOM 775 O ASP A 50 -10.824 7.233 -29.392 1.00 0.00 O ATOM 776 CB ASP A 50 -13.211 5.788 -28.045 1.00 0.00 C ATOM 777 CG ASP A 50 -13.482 4.543 -28.879 1.00 0.00 C ATOM 778 OD1 ASP A 50 -13.471 3.468 -28.328 1.00 0.00 O ATOM 779 OD2 ASP A 50 -13.698 4.679 -30.060 1.00 0.00 O ATOM 0 H ASP A 50 -12.416 7.570 -26.525 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.437 4.982 -27.134 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.844 5.770 -27.158 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.491 6.672 -28.619 1.00 0.00 H new ATOM 784 N ARG A 51 -10.172 5.083 -29.262 1.00 0.00 N ATOM 785 CA ARG A 51 -9.219 5.187 -30.360 1.00 0.00 C ATOM 786 C ARG A 51 -9.925 5.492 -31.675 1.00 0.00 C ATOM 787 O ARG A 51 -9.374 6.168 -32.544 1.00 0.00 O ATOM 788 CB ARG A 51 -8.424 3.898 -30.503 1.00 0.00 C ATOM 789 CG ARG A 51 -7.432 3.631 -29.382 1.00 0.00 C ATOM 790 CD ARG A 51 -6.731 2.334 -29.566 1.00 0.00 C ATOM 791 NE ARG A 51 -5.780 2.075 -28.496 1.00 0.00 N ATOM 792 CZ ARG A 51 -5.101 0.922 -28.339 1.00 0.00 C ATOM 793 NH1 ARG A 51 -5.278 -0.065 -29.188 1.00 0.00 N ATOM 794 NH2 ARG A 51 -4.257 0.785 -27.331 1.00 0.00 N ATOM 0 H ARG A 51 -10.250 4.149 -28.859 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.540 6.007 -30.127 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.121 3.062 -30.558 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.883 3.925 -31.449 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.700 4.438 -29.344 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.955 3.629 -28.426 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.463 1.528 -29.604 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.209 2.336 -30.523 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.616 2.818 -27.817 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.929 0.042 -29.966 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.764 -0.938 -29.069 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.120 1.552 -26.673 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.743 -0.088 -27.212 1.00 0.00 H new ATOM 808 N GLU A 52 -11.148 4.991 -31.815 1.00 0.00 N ATOM 809 CA GLU A 52 -11.900 5.141 -33.055 1.00 0.00 C ATOM 810 C GLU A 52 -12.647 6.467 -33.089 1.00 0.00 C ATOM 811 O GLU A 52 -12.512 7.242 -34.036 1.00 0.00 O ATOM 812 CB GLU A 52 -12.887 3.983 -33.223 1.00 0.00 C ATOM 813 CG GLU A 52 -13.693 4.026 -34.513 1.00 0.00 C ATOM 814 CD GLU A 52 -14.566 2.817 -34.699 1.00 0.00 C ATOM 815 OE1 GLU A 52 -14.486 1.921 -33.892 1.00 0.00 O ATOM 816 OE2 GLU A 52 -15.313 2.788 -35.648 1.00 0.00 O ATOM 0 H GLU A 52 -11.640 4.477 -31.084 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.188 5.128 -33.880 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -12.336 3.043 -33.184 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -13.576 3.983 -32.378 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -14.315 4.921 -34.517 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.011 4.109 -35.359 1.00 0.00 H new ATOM 823 N THR A 53 -13.436 6.723 -32.051 1.00 0.00 N ATOM 824 CA THR A 53 -14.356 7.854 -32.049 1.00 0.00 C ATOM 825 C THR A 53 -13.746 9.059 -31.344 1.00 0.00 C ATOM 826 O THR A 53 -14.089 10.203 -31.642 1.00 0.00 O ATOM 827 CB THR A 53 -15.690 7.482 -31.375 1.00 0.00 C ATOM 828 OG1 THR A 53 -15.452 7.102 -30.014 1.00 0.00 O ATOM 829 CG2 THR A 53 -16.355 6.328 -32.110 1.00 0.00 C ATOM 0 H THR A 53 -13.457 6.162 -31.200 1.00 0.00 H new ATOM 0 HA THR A 53 -14.547 8.116 -33.090 1.00 0.00 H new ATOM 0 HB THR A 53 -16.350 8.349 -31.407 1.00 0.00 H new ATOM 0 HG1 THR A 53 -16.302 6.867 -29.586 1.00 0.00 H new ATOM 0 HG21 THR A 53 -17.296 6.079 -31.620 1.00 0.00 H new ATOM 0 HG22 THR A 53 -16.549 6.618 -33.143 1.00 0.00 H new ATOM 0 HG23 THR A 53 -15.697 5.459 -32.095 1.00 0.00 H new ATOM 837 N GLY A 54 -12.840 8.795 -30.409 1.00 0.00 N ATOM 838 CA GLY A 54 -12.195 9.857 -29.646 1.00 0.00 C ATOM 839 C GLY A 54 -13.065 10.301 -28.477 1.00 0.00 C ATOM 840 O GLY A 54 -12.838 11.358 -27.888 1.00 0.00 O ATOM 0 H GLY A 54 -12.535 7.854 -30.161 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.232 9.508 -29.274 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -11.996 10.707 -30.298 1.00 0.00 H new ATOM 844 N LYS A 55 -14.062 9.488 -28.145 1.00 0.00 N ATOM 845 CA LYS A 55 -14.969 9.797 -27.046 1.00 0.00 C ATOM 846 C LYS A 55 -14.445 9.243 -25.727 1.00 0.00 C ATOM 847 O LYS A 55 -13.770 8.214 -25.699 1.00 0.00 O ATOM 848 CB LYS A 55 -16.365 9.241 -27.332 1.00 0.00 C ATOM 849 CG LYS A 55 -17.067 9.884 -28.521 1.00 0.00 C ATOM 850 CD LYS A 55 -18.462 9.309 -28.717 1.00 0.00 C ATOM 851 CE LYS A 55 -19.165 9.953 -29.902 1.00 0.00 C ATOM 852 NZ LYS A 55 -20.540 9.415 -30.093 1.00 0.00 N ATOM 0 H LYS A 55 -14.263 8.609 -28.622 1.00 0.00 H new ATOM 0 HA LYS A 55 -15.031 10.882 -26.959 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.286 8.168 -27.509 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -16.984 9.373 -26.445 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -17.134 10.961 -28.368 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -16.476 9.726 -29.423 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -18.395 8.232 -28.873 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -19.052 9.464 -27.814 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -19.215 11.031 -29.752 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -18.580 9.784 -30.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -20.984 9.880 -30.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -20.491 8.390 -30.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -21.106 9.599 -29.240 1.00 0.00 H new ATOM 866 N PRO A 56 -14.760 9.932 -24.635 1.00 0.00 N ATOM 867 CA PRO A 56 -14.347 9.494 -23.308 1.00 0.00 C ATOM 868 C PRO A 56 -14.775 8.056 -23.044 1.00 0.00 C ATOM 869 O PRO A 56 -15.920 7.682 -23.298 1.00 0.00 O ATOM 870 CB PRO A 56 -15.068 10.477 -22.380 1.00 0.00 C ATOM 871 CG PRO A 56 -15.208 11.715 -23.198 1.00 0.00 C ATOM 872 CD PRO A 56 -15.502 11.215 -24.587 1.00 0.00 C ATOM 0 HA PRO A 56 -13.266 9.496 -23.170 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -16.040 10.092 -22.070 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.494 10.662 -21.472 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -16.013 12.349 -22.825 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.296 12.312 -23.175 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -16.570 11.071 -24.748 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -15.156 11.912 -25.350 1.00 0.00 H new ATOM 880 N LYS A 57 -13.849 7.253 -22.532 1.00 0.00 N ATOM 881 CA LYS A 57 -14.149 5.875 -22.162 1.00 0.00 C ATOM 882 C LYS A 57 -14.747 5.798 -20.763 1.00 0.00 C ATOM 883 O LYS A 57 -15.354 4.793 -20.392 1.00 0.00 O ATOM 884 CB LYS A 57 -12.889 5.011 -22.244 1.00 0.00 C ATOM 885 CG LYS A 57 -12.265 4.939 -23.631 1.00 0.00 C ATOM 886 CD LYS A 57 -13.245 4.378 -24.650 1.00 0.00 C ATOM 887 CE LYS A 57 -13.307 2.859 -24.580 1.00 0.00 C ATOM 888 NZ LYS A 57 -14.149 2.286 -25.666 1.00 0.00 N ATOM 0 H LYS A 57 -12.883 7.533 -22.364 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.886 5.493 -22.869 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.149 5.402 -21.546 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.134 4.001 -21.916 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.945 5.934 -23.940 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.373 4.313 -23.599 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.237 4.793 -24.471 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.947 4.686 -25.652 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.299 2.451 -24.649 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.707 2.556 -23.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.005 1.257 -25.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.151 2.487 -25.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.880 2.713 -26.576 1.00 0.00 H new ATOM 902 N GLY A 58 -14.572 6.865 -19.991 1.00 0.00 N ATOM 903 CA GLY A 58 -15.228 6.988 -18.695 1.00 0.00 C ATOM 904 C GLY A 58 -14.296 6.573 -17.564 1.00 0.00 C ATOM 905 O GLY A 58 -14.741 6.300 -16.449 1.00 0.00 O ATOM 0 H GLY A 58 -13.981 7.658 -20.241 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -15.551 8.018 -18.544 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -16.124 6.367 -18.678 1.00 0.00 H new ATOM 909 N TYR A 59 -13.001 6.526 -17.858 1.00 0.00 N ATOM 910 CA TYR A 59 -11.995 6.236 -16.843 1.00 0.00 C ATOM 911 C TYR A 59 -10.640 6.814 -17.230 1.00 0.00 C ATOM 912 O TYR A 59 -10.382 7.084 -18.403 1.00 0.00 O ATOM 913 CB TYR A 59 -11.884 4.727 -16.616 1.00 0.00 C ATOM 914 CG TYR A 59 -11.468 3.954 -17.848 1.00 0.00 C ATOM 915 CD1 TYR A 59 -10.123 3.766 -18.128 1.00 0.00 C ATOM 916 CD2 TYR A 59 -12.433 3.432 -18.697 1.00 0.00 C ATOM 917 CE1 TYR A 59 -9.743 3.060 -19.253 1.00 0.00 C ATOM 918 CE2 TYR A 59 -12.053 2.726 -19.822 1.00 0.00 C ATOM 919 CZ TYR A 59 -10.715 2.539 -20.101 1.00 0.00 C ATOM 920 OH TYR A 59 -10.337 1.836 -21.222 1.00 0.00 O ATOM 0 H TYR A 59 -12.623 6.685 -18.792 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.311 6.709 -15.913 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.162 4.541 -15.821 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -12.846 4.349 -16.269 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.372 4.172 -17.466 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -13.481 3.577 -18.479 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.696 2.913 -19.473 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -12.804 2.320 -20.484 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.135 1.539 -21.707 1.00 0.00 H new ATOM 930 N GLY A 60 -9.777 7.001 -16.237 1.00 0.00 N ATOM 931 CA GLY A 60 -8.438 7.526 -16.475 1.00 0.00 C ATOM 932 C GLY A 60 -7.578 7.430 -15.221 1.00 0.00 C ATOM 933 O GLY A 60 -7.972 6.810 -14.233 1.00 0.00 O ATOM 0 H GLY A 60 -9.982 6.796 -15.259 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.966 6.972 -17.286 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.504 8.566 -16.795 1.00 0.00 H new ATOM 937 N PHE A 61 -6.402 8.046 -15.268 1.00 0.00 N ATOM 938 CA PHE A 61 -5.455 7.975 -14.161 1.00 0.00 C ATOM 939 C PHE A 61 -4.999 9.365 -13.737 1.00 0.00 C ATOM 940 O PHE A 61 -4.657 10.199 -14.575 1.00 0.00 O ATOM 941 CB PHE A 61 -4.241 7.130 -14.550 1.00 0.00 C ATOM 942 CG PHE A 61 -4.561 5.683 -14.791 1.00 0.00 C ATOM 943 CD1 PHE A 61 -4.948 5.243 -16.048 1.00 0.00 C ATOM 944 CD2 PHE A 61 -4.478 4.758 -13.761 1.00 0.00 C ATOM 945 CE1 PHE A 61 -5.243 3.911 -16.271 1.00 0.00 C ATOM 946 CE2 PHE A 61 -4.772 3.426 -13.981 1.00 0.00 C ATOM 947 CZ PHE A 61 -5.155 3.003 -15.238 1.00 0.00 C ATOM 0 H PHE A 61 -6.081 8.601 -16.062 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.964 7.506 -13.319 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.793 7.548 -15.451 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.493 7.200 -13.760 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.020 5.949 -16.862 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.180 5.083 -12.775 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.543 3.582 -17.255 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.702 2.716 -13.170 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.385 1.962 -15.412 1.00 0.00 H new ATOM 957 N CYS A 62 -4.994 9.607 -12.430 1.00 0.00 N ATOM 958 CA CYS A 62 -4.567 10.893 -11.891 1.00 0.00 C ATOM 959 C CYS A 62 -3.304 10.746 -11.052 1.00 0.00 C ATOM 960 O CYS A 62 -3.283 10.006 -10.069 1.00 0.00 O ATOM 961 CB CYS A 62 -5.673 11.511 -11.035 1.00 0.00 C ATOM 962 SG CYS A 62 -5.244 13.117 -10.322 1.00 0.00 S ATOM 0 H CYS A 62 -5.281 8.929 -11.724 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.354 11.548 -12.736 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.569 11.624 -11.645 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -5.921 10.822 -10.228 1.00 0.00 H new ATOM 0 HG CYS A 62 -6.300 13.875 -10.292 1.00 0.00 H new ATOM 968 N GLU A 63 -2.252 11.456 -11.445 1.00 0.00 N ATOM 969 CA GLU A 63 -0.981 11.400 -10.735 1.00 0.00 C ATOM 970 C GLU A 63 -0.894 12.490 -9.674 1.00 0.00 C ATOM 971 O GLU A 63 -0.916 13.680 -9.990 1.00 0.00 O ATOM 972 CB GLU A 63 0.186 11.535 -11.716 1.00 0.00 C ATOM 973 CG GLU A 63 1.562 11.430 -11.075 1.00 0.00 C ATOM 974 CD GLU A 63 2.681 11.683 -12.047 1.00 0.00 C ATOM 975 OE1 GLU A 63 2.400 12.029 -13.170 1.00 0.00 O ATOM 976 OE2 GLU A 63 3.818 11.530 -11.667 1.00 0.00 O ATOM 0 H GLU A 63 -2.255 12.078 -12.253 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.920 10.432 -10.238 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.094 10.762 -12.479 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.108 12.496 -12.224 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.631 12.145 -10.255 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.681 10.437 -10.642 1.00 0.00 H new ATOM 983 N TYR A 64 -0.795 12.077 -8.415 1.00 0.00 N ATOM 984 CA TYR A 64 -0.662 13.018 -7.309 1.00 0.00 C ATOM 985 C TYR A 64 0.801 13.231 -6.940 1.00 0.00 C ATOM 986 O TYR A 64 1.647 12.376 -7.200 1.00 0.00 O ATOM 987 CB TYR A 64 -1.449 12.528 -6.092 1.00 0.00 C ATOM 988 CG TYR A 64 -2.947 12.697 -6.225 1.00 0.00 C ATOM 989 CD1 TYR A 64 -3.691 11.761 -6.928 1.00 0.00 C ATOM 990 CD2 TYR A 64 -3.575 13.788 -5.645 1.00 0.00 C ATOM 991 CE1 TYR A 64 -5.058 11.915 -7.050 1.00 0.00 C ATOM 992 CE2 TYR A 64 -4.943 13.943 -5.767 1.00 0.00 C ATOM 993 CZ TYR A 64 -5.683 13.012 -6.466 1.00 0.00 C ATOM 994 OH TYR A 64 -7.045 13.166 -6.587 1.00 0.00 O ATOM 0 H TYR A 64 -0.804 11.096 -8.135 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.073 13.975 -7.632 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -1.225 11.474 -5.926 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.109 13.069 -5.209 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -3.201 10.911 -7.380 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -2.996 14.517 -5.098 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -5.639 11.187 -7.596 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.433 14.793 -5.315 1.00 0.00 H new ATOM 0 HH TYR A 64 -7.325 13.982 -6.122 1.00 0.00 H new ATOM 1004 N GLN A 65 1.092 14.377 -6.334 1.00 0.00 N ATOM 1005 CA GLN A 65 2.450 14.697 -5.912 1.00 0.00 C ATOM 1006 C GLN A 65 2.902 13.787 -4.777 1.00 0.00 C ATOM 1007 O GLN A 65 4.028 13.288 -4.779 1.00 0.00 O ATOM 1008 CB GLN A 65 2.545 16.162 -5.476 1.00 0.00 C ATOM 1009 CG GLN A 65 3.944 16.605 -5.084 1.00 0.00 C ATOM 1010 CD GLN A 65 4.912 16.569 -6.251 1.00 0.00 C ATOM 1011 OE1 GLN A 65 4.674 17.187 -7.293 1.00 0.00 O ATOM 1012 NE2 GLN A 65 6.011 15.843 -6.085 1.00 0.00 N ATOM 0 H GLN A 65 0.404 15.100 -6.124 1.00 0.00 H new ATOM 0 HA GLN A 65 3.110 14.536 -6.765 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.190 16.795 -6.289 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.875 16.322 -4.631 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.902 17.617 -4.682 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.316 15.961 -4.287 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.168 15.348 -5.207 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.699 15.780 -6.836 1.00 0.00 H new ATOM 1021 N ASP A 66 2.019 13.575 -3.807 1.00 0.00 N ATOM 1022 CA ASP A 66 2.321 12.714 -2.670 1.00 0.00 C ATOM 1023 C ASP A 66 1.437 11.473 -2.669 1.00 0.00 C ATOM 1024 O ASP A 66 0.271 11.530 -3.059 1.00 0.00 O ATOM 1025 CB ASP A 66 2.142 13.477 -1.356 1.00 0.00 C ATOM 1026 CG ASP A 66 3.129 14.626 -1.199 1.00 0.00 C ATOM 1027 OD1 ASP A 66 4.157 14.591 -1.832 1.00 0.00 O ATOM 1028 OD2 ASP A 66 2.845 15.528 -0.447 1.00 0.00 O ATOM 0 H ASP A 66 1.087 13.989 -3.786 1.00 0.00 H new ATOM 0 HA ASP A 66 3.360 12.398 -2.761 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.126 13.868 -1.304 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.261 12.786 -0.521 1.00 0.00 H new ATOM 1033 N GLN A 67 1.999 10.353 -2.227 1.00 0.00 N ATOM 1034 CA GLN A 67 1.249 9.106 -2.133 1.00 0.00 C ATOM 1035 C GLN A 67 0.204 9.173 -1.027 1.00 0.00 C ATOM 1036 O GLN A 67 -0.750 8.395 -1.013 1.00 0.00 O ATOM 1037 CB GLN A 67 2.197 7.929 -1.886 1.00 0.00 C ATOM 1038 CG GLN A 67 2.842 7.927 -0.510 1.00 0.00 C ATOM 1039 CD GLN A 67 4.083 8.797 -0.452 1.00 0.00 C ATOM 1040 OE1 GLN A 67 4.177 9.815 -1.143 1.00 0.00 O ATOM 1041 NE2 GLN A 67 5.044 8.400 0.375 1.00 0.00 N ATOM 0 H GLN A 67 2.972 10.283 -1.928 1.00 0.00 H new ATOM 0 HA GLN A 67 0.733 8.956 -3.082 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.645 6.998 -2.017 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.981 7.944 -2.643 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.120 8.279 0.227 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.105 6.905 -0.236 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.923 7.551 0.927 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.903 8.944 0.458 1.00 0.00 H new ATOM 1050 N GLU A 68 0.390 10.107 -0.100 1.00 0.00 N ATOM 1051 CA GLU A 68 -0.588 10.345 0.955 1.00 0.00 C ATOM 1052 C GLU A 68 -1.864 10.961 0.395 1.00 0.00 C ATOM 1053 O GLU A 68 -2.966 10.647 0.845 1.00 0.00 O ATOM 1054 CB GLU A 68 0.001 11.258 2.032 1.00 0.00 C ATOM 1055 CG GLU A 68 1.115 10.625 2.854 1.00 0.00 C ATOM 1056 CD GLU A 68 1.685 11.558 3.885 1.00 0.00 C ATOM 1057 OE1 GLU A 68 1.317 12.708 3.886 1.00 0.00 O ATOM 1058 OE2 GLU A 68 2.490 11.121 4.673 1.00 0.00 O ATOM 0 H GLU A 68 1.210 10.712 -0.058 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.839 9.382 1.400 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.385 12.160 1.556 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.799 11.569 2.705 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.731 9.734 3.351 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.912 10.299 2.186 1.00 0.00 H new ATOM 1065 N THR A 69 -1.708 11.840 -0.589 1.00 0.00 N ATOM 1066 CA THR A 69 -2.850 12.466 -1.245 1.00 0.00 C ATOM 1067 C THR A 69 -3.477 11.531 -2.270 1.00 0.00 C ATOM 1068 O THR A 69 -4.671 11.619 -2.556 1.00 0.00 O ATOM 1069 CB THR A 69 -2.442 13.785 -1.928 1.00 0.00 C ATOM 1070 OG1 THR A 69 -1.427 13.525 -2.907 1.00 0.00 O ATOM 1071 CG2 THR A 69 -1.910 14.775 -0.903 1.00 0.00 C ATOM 0 H THR A 69 -0.801 12.135 -0.950 1.00 0.00 H new ATOM 0 HA THR A 69 -3.587 12.683 -0.472 1.00 0.00 H new ATOM 0 HB THR A 69 -3.321 14.214 -2.410 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.101 12.606 -2.805 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.627 15.701 -1.404 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.683 14.984 -0.164 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.038 14.350 -0.405 1.00 0.00 H new ATOM 1079 N ALA A 70 -2.665 10.635 -2.821 1.00 0.00 N ATOM 1080 CA ALA A 70 -3.167 9.583 -3.696 1.00 0.00 C ATOM 1081 C ALA A 70 -4.077 8.624 -2.939 1.00 0.00 C ATOM 1082 O ALA A 70 -5.158 8.274 -3.414 1.00 0.00 O ATOM 1083 CB ALA A 70 -2.010 8.824 -4.330 1.00 0.00 C ATOM 0 H ALA A 70 -1.655 10.617 -2.677 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.754 10.054 -4.484 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.401 8.042 -4.981 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.401 9.512 -4.916 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.398 8.374 -3.548 1.00 0.00 H new ATOM 1089 N LEU A 71 -3.634 8.203 -1.760 1.00 0.00 N ATOM 1090 CA LEU A 71 -4.429 7.322 -0.913 1.00 0.00 C ATOM 1091 C LEU A 71 -5.646 8.047 -0.352 1.00 0.00 C ATOM 1092 O LEU A 71 -6.716 7.457 -0.199 1.00 0.00 O ATOM 1093 CB LEU A 71 -3.574 6.780 0.239 1.00 0.00 C ATOM 1094 CG LEU A 71 -2.461 5.803 -0.161 1.00 0.00 C ATOM 1095 CD1 LEU A 71 -1.593 5.497 1.052 1.00 0.00 C ATOM 1096 CD2 LEU A 71 -3.079 4.533 -0.725 1.00 0.00 C ATOM 0 H LEU A 71 -2.727 8.458 -1.369 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.776 6.492 -1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.121 7.624 0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.231 6.281 0.951 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.831 6.250 -0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.802 4.803 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.149 6.420 1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.206 5.048 1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.288 3.839 -1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.714 4.070 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.679 4.778 -1.601 1.00 0.00 H new ATOM 1108 N SER A 72 -5.476 9.329 -0.048 1.00 0.00 N ATOM 1109 CA SER A 72 -6.582 10.161 0.410 1.00 0.00 C ATOM 1110 C SER A 72 -7.671 10.262 -0.650 1.00 0.00 C ATOM 1111 O SER A 72 -8.861 10.202 -0.339 1.00 0.00 O ATOM 1112 CB SER A 72 -6.081 11.546 0.767 1.00 0.00 C ATOM 1113 OG SER A 72 -5.228 11.501 1.878 1.00 0.00 O ATOM 0 H SER A 72 -4.581 9.815 -0.111 1.00 0.00 H new ATOM 0 HA SER A 72 -7.010 9.693 1.296 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.553 11.976 -0.084 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.927 12.199 0.980 1.00 0.00 H new ATOM 0 HG SER A 72 -4.425 10.986 1.653 1.00 0.00 H new ATOM 1119 N ALA A 73 -7.258 10.417 -1.903 1.00 0.00 N ATOM 1120 CA ALA A 73 -8.191 10.418 -3.023 1.00 0.00 C ATOM 1121 C ALA A 73 -8.973 9.112 -3.091 1.00 0.00 C ATOM 1122 O ALA A 73 -10.188 9.115 -3.287 1.00 0.00 O ATOM 1123 CB ALA A 73 -7.449 10.659 -4.330 1.00 0.00 C ATOM 0 H ALA A 73 -6.281 10.544 -2.169 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.903 11.229 -2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.159 10.657 -5.157 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.943 11.623 -4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.713 9.869 -4.482 1.00 0.00 H new ATOM 1129 N MET A 74 -8.268 7.998 -2.927 1.00 0.00 N ATOM 1130 CA MET A 74 -8.906 6.687 -2.889 1.00 0.00 C ATOM 1131 C MET A 74 -9.968 6.623 -1.799 1.00 0.00 C ATOM 1132 O MET A 74 -11.046 6.064 -2.002 1.00 0.00 O ATOM 1133 CB MET A 74 -7.857 5.596 -2.677 1.00 0.00 C ATOM 1134 CG MET A 74 -8.429 4.193 -2.532 1.00 0.00 C ATOM 1135 SD MET A 74 -7.163 2.960 -2.170 1.00 0.00 S ATOM 1136 CE MET A 74 -6.694 3.435 -0.508 1.00 0.00 C ATOM 0 H MET A 74 -7.254 7.977 -2.818 1.00 0.00 H new ATOM 0 HA MET A 74 -9.399 6.522 -3.847 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.164 5.607 -3.518 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.279 5.834 -1.784 1.00 0.00 H new ATOM 0 HG2 MET A 74 -9.173 4.189 -1.735 1.00 0.00 H new ATOM 0 HG3 MET A 74 -8.945 3.919 -3.452 1.00 0.00 H new ATOM 0 HE1 MET A 74 -6.188 2.602 -0.021 1.00 0.00 H new ATOM 0 HE2 MET A 74 -6.023 4.293 -0.550 1.00 0.00 H new ATOM 0 HE3 MET A 74 -7.586 3.700 0.060 1.00 0.00 H new ATOM 1146 N ARG A 75 -9.657 7.197 -0.642 1.00 0.00 N ATOM 1147 CA ARG A 75 -10.522 7.086 0.526 1.00 0.00 C ATOM 1148 C ARG A 75 -11.654 8.105 0.472 1.00 0.00 C ATOM 1149 O ARG A 75 -12.742 7.866 0.995 1.00 0.00 O ATOM 1150 CB ARG A 75 -9.724 7.287 1.805 1.00 0.00 C ATOM 1151 CG ARG A 75 -8.709 6.195 2.104 1.00 0.00 C ATOM 1152 CD ARG A 75 -7.944 6.481 3.345 1.00 0.00 C ATOM 1153 NE ARG A 75 -7.121 7.673 3.212 1.00 0.00 N ATOM 1154 CZ ARG A 75 -6.459 8.263 4.226 1.00 0.00 C ATOM 1155 NH1 ARG A 75 -6.533 7.761 5.439 1.00 0.00 N ATOM 1156 NH2 ARG A 75 -5.735 9.346 4.002 1.00 0.00 N ATOM 0 H ARG A 75 -8.810 7.745 -0.488 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.951 6.084 0.521 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.202 8.242 1.744 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.418 7.357 2.642 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.222 5.239 2.205 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.019 6.099 1.265 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.636 6.609 4.177 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.310 5.627 3.586 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.039 8.092 2.285 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.091 6.925 5.612 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.032 8.207 6.207 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.677 9.735 3.061 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.234 9.792 4.770 1.00 0.00 H new ATOM 1170 N ASN A 76 -11.390 9.241 -0.164 1.00 0.00 N ATOM 1171 CA ASN A 76 -12.309 10.372 -0.124 1.00 0.00 C ATOM 1172 C ASN A 76 -13.216 10.389 -1.348 1.00 0.00 C ATOM 1173 O ASN A 76 -14.438 10.479 -1.226 1.00 0.00 O ATOM 1174 CB ASN A 76 -11.543 11.678 -0.009 1.00 0.00 C ATOM 1175 CG ASN A 76 -10.920 11.864 1.346 1.00 0.00 C ATOM 1176 OD1 ASN A 76 -11.329 11.229 2.324 1.00 0.00 O ATOM 1177 ND2 ASN A 76 -9.936 12.724 1.423 1.00 0.00 N ATOM 0 H ASN A 76 -10.546 9.403 -0.714 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.939 10.260 0.758 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.764 11.706 -0.770 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -12.217 12.510 -0.212 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.474 12.892 2.317 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -9.631 13.226 0.589 1.00 0.00 H new ATOM 1184 N LEU A 77 -12.611 10.302 -2.528 1.00 0.00 N ATOM 1185 CA LEU A 77 -13.328 10.536 -3.775 1.00 0.00 C ATOM 1186 C LEU A 77 -14.126 9.307 -4.191 1.00 0.00 C ATOM 1187 O LEU A 77 -15.081 9.406 -4.961 1.00 0.00 O ATOM 1188 CB LEU A 77 -12.345 10.916 -4.889 1.00 0.00 C ATOM 1189 CG LEU A 77 -11.597 12.242 -4.693 1.00 0.00 C ATOM 1190 CD1 LEU A 77 -10.592 12.430 -5.821 1.00 0.00 C ATOM 1191 CD2 LEU A 77 -12.597 13.388 -4.654 1.00 0.00 C ATOM 0 H LEU A 77 -11.625 10.071 -2.646 1.00 0.00 H new ATOM 0 HA LEU A 77 -14.024 11.358 -3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.610 10.117 -4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.892 10.965 -5.830 1.00 0.00 H new ATOM 0 HG LEU A 77 -11.054 12.228 -3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -10.061 13.372 -5.682 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.878 11.606 -5.813 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.116 12.447 -6.776 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.066 14.330 -4.515 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.151 13.419 -5.592 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -13.291 13.237 -3.827 1.00 0.00 H new ATOM 1203 N ASN A 78 -13.727 8.148 -3.678 1.00 0.00 N ATOM 1204 CA ASN A 78 -14.353 6.887 -4.056 1.00 0.00 C ATOM 1205 C ASN A 78 -15.793 6.817 -3.562 1.00 0.00 C ATOM 1206 O ASN A 78 -16.043 6.678 -2.365 1.00 0.00 O ATOM 1207 CB ASN A 78 -13.550 5.712 -3.527 1.00 0.00 C ATOM 1208 CG ASN A 78 -14.090 4.388 -3.991 1.00 0.00 C ATOM 1209 OD1 ASN A 78 -14.599 4.269 -5.112 1.00 0.00 O ATOM 1210 ND2 ASN A 78 -13.989 3.390 -3.151 1.00 0.00 N ATOM 0 H ASN A 78 -12.972 8.056 -2.998 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.369 6.834 -5.145 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -12.513 5.811 -3.849 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.549 5.738 -2.437 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -14.338 2.467 -3.411 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -13.561 3.535 -2.236 1.00 0.00 H new ATOM 1217 N GLY A 79 -16.737 6.915 -4.492 1.00 0.00 N ATOM 1218 CA GLY A 79 -18.153 6.811 -4.160 1.00 0.00 C ATOM 1219 C GLY A 79 -18.756 8.181 -3.882 1.00 0.00 C ATOM 1220 O GLY A 79 -19.935 8.295 -3.546 1.00 0.00 O ATOM 0 H GLY A 79 -16.547 7.066 -5.483 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -18.688 6.336 -4.982 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -18.278 6.172 -3.286 1.00 0.00 H new ATOM 1224 N ARG A 80 -17.941 9.221 -4.025 1.00 0.00 N ATOM 1225 CA ARG A 80 -18.401 10.589 -3.818 1.00 0.00 C ATOM 1226 C ARG A 80 -19.375 11.014 -4.909 1.00 0.00 C ATOM 1227 O ARG A 80 -19.094 10.863 -6.098 1.00 0.00 O ATOM 1228 CB ARG A 80 -17.222 11.551 -3.792 1.00 0.00 C ATOM 1229 CG ARG A 80 -17.588 13.003 -3.528 1.00 0.00 C ATOM 1230 CD ARG A 80 -16.381 13.857 -3.388 1.00 0.00 C ATOM 1231 NE ARG A 80 -16.720 15.270 -3.321 1.00 0.00 N ATOM 1232 CZ ARG A 80 -15.821 16.273 -3.310 1.00 0.00 C ATOM 1233 NH1 ARG A 80 -14.536 16.004 -3.362 1.00 0.00 N ATOM 1234 NH2 ARG A 80 -16.232 17.528 -3.247 1.00 0.00 N ATOM 0 H ARG A 80 -16.958 9.142 -4.284 1.00 0.00 H new ATOM 0 HA ARG A 80 -18.916 10.620 -2.858 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -16.521 11.223 -3.025 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -16.701 11.490 -4.747 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -18.206 13.377 -4.345 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -18.187 13.068 -2.620 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -15.837 13.571 -2.488 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.714 13.684 -4.232 1.00 0.00 H new ATOM 0 HE ARG A 80 -17.708 15.519 -3.279 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.219 15.036 -3.411 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.855 16.764 -3.354 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.230 17.737 -3.207 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.551 18.288 -3.239 1.00 0.00 H new ATOM 1248 N GLU A 81 -20.521 11.546 -4.498 1.00 0.00 N ATOM 1249 CA GLU A 81 -21.563 11.941 -5.438 1.00 0.00 C ATOM 1250 C GLU A 81 -21.333 13.356 -5.953 1.00 0.00 C ATOM 1251 O GLU A 81 -21.092 14.279 -5.175 1.00 0.00 O ATOM 1252 CB GLU A 81 -22.940 11.846 -4.777 1.00 0.00 C ATOM 1253 CG GLU A 81 -24.103 12.193 -5.696 1.00 0.00 C ATOM 1254 CD GLU A 81 -25.440 12.071 -5.020 1.00 0.00 C ATOM 1255 OE1 GLU A 81 -25.474 11.676 -3.879 1.00 0.00 O ATOM 1256 OE2 GLU A 81 -26.430 12.374 -5.644 1.00 0.00 O ATOM 0 H GLU A 81 -20.752 11.714 -3.519 1.00 0.00 H new ATOM 0 HA GLU A 81 -21.524 11.257 -6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -23.080 10.833 -4.401 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -22.963 12.512 -3.915 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -23.978 13.212 -6.062 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -24.080 11.537 -6.566 1.00 0.00 H new ATOM 1263 N PHE A 82 -21.408 13.520 -7.269 1.00 0.00 N ATOM 1264 CA PHE A 82 -21.267 14.833 -7.887 1.00 0.00 C ATOM 1265 C PHE A 82 -22.529 15.225 -8.644 1.00 0.00 C ATOM 1266 O PHE A 82 -22.597 15.093 -9.866 1.00 0.00 O ATOM 1267 CB PHE A 82 -20.069 14.850 -8.839 1.00 0.00 C ATOM 1268 CG PHE A 82 -18.759 14.546 -8.170 1.00 0.00 C ATOM 1269 CD1 PHE A 82 -18.284 13.244 -8.104 1.00 0.00 C ATOM 1270 CD2 PHE A 82 -18.000 15.559 -7.604 1.00 0.00 C ATOM 1271 CE1 PHE A 82 -17.078 12.963 -7.489 1.00 0.00 C ATOM 1272 CE2 PHE A 82 -16.794 15.280 -6.990 1.00 0.00 C ATOM 1273 CZ PHE A 82 -16.334 13.980 -6.932 1.00 0.00 C ATOM 0 H PHE A 82 -21.566 12.759 -7.929 1.00 0.00 H new ATOM 0 HA PHE A 82 -21.104 15.558 -7.090 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -20.238 14.123 -9.634 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -20.006 15.830 -9.312 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -18.862 12.442 -8.538 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -18.356 16.578 -7.644 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -16.719 11.945 -7.445 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -16.211 16.079 -6.556 1.00 0.00 H new ATOM 0 HZ PHE A 82 -15.392 13.760 -6.451 1.00 0.00 H new ATOM 1283 N SER A 83 -23.527 15.706 -7.911 1.00 0.00 N ATOM 1284 CA SER A 83 -24.802 16.086 -8.508 1.00 0.00 C ATOM 1285 C SER A 83 -25.457 14.903 -9.208 1.00 0.00 C ATOM 1286 O SER A 83 -26.035 15.049 -10.285 1.00 0.00 O ATOM 1287 CB SER A 83 -24.599 17.220 -9.494 1.00 0.00 C ATOM 1288 OG SER A 83 -24.060 18.347 -8.860 1.00 0.00 O ATOM 0 H SER A 83 -23.478 15.842 -6.901 1.00 0.00 H new ATOM 0 HA SER A 83 -25.463 16.417 -7.707 1.00 0.00 H new ATOM 0 HB2 SER A 83 -23.934 16.896 -10.294 1.00 0.00 H new ATOM 0 HB3 SER A 83 -25.551 17.479 -9.956 1.00 0.00 H new ATOM 0 HG SER A 83 -23.937 19.064 -9.517 1.00 0.00 H new ATOM 1294 N GLY A 84 -25.363 13.730 -8.590 1.00 0.00 N ATOM 1295 CA GLY A 84 -25.988 12.528 -9.129 1.00 0.00 C ATOM 1296 C GLY A 84 -24.976 11.671 -9.880 1.00 0.00 C ATOM 1297 O GLY A 84 -25.203 10.483 -10.108 1.00 0.00 O ATOM 0 H GLY A 84 -24.859 13.587 -7.715 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -26.428 11.949 -8.318 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -26.801 12.807 -9.799 1.00 0.00 H new ATOM 1301 N ARG A 85 -23.860 12.282 -10.262 1.00 0.00 N ATOM 1302 CA ARG A 85 -22.849 11.600 -11.062 1.00 0.00 C ATOM 1303 C ARG A 85 -21.633 11.238 -10.220 1.00 0.00 C ATOM 1304 O ARG A 85 -20.616 11.931 -10.250 1.00 0.00 O ATOM 1305 CB ARG A 85 -22.412 12.472 -12.230 1.00 0.00 C ATOM 1306 CG ARG A 85 -23.517 12.822 -13.214 1.00 0.00 C ATOM 1307 CD ARG A 85 -23.045 13.773 -14.254 1.00 0.00 C ATOM 1308 NE ARG A 85 -24.105 14.134 -15.180 1.00 0.00 N ATOM 1309 CZ ARG A 85 -23.928 14.864 -16.299 1.00 0.00 C ATOM 1310 NH1 ARG A 85 -22.730 15.302 -16.615 1.00 0.00 N ATOM 1311 NH2 ARG A 85 -24.960 15.139 -17.078 1.00 0.00 N ATOM 0 H ARG A 85 -23.632 13.249 -10.030 1.00 0.00 H new ATOM 0 HA ARG A 85 -23.298 10.683 -11.443 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -21.989 13.396 -11.837 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -21.614 11.960 -12.768 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -23.881 11.912 -13.691 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -24.358 13.259 -12.676 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -22.660 14.673 -13.775 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -22.218 13.326 -14.806 1.00 0.00 H new ATOM 0 HE ARG A 85 -25.049 13.812 -14.968 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -21.934 15.089 -16.013 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -22.596 15.854 -17.462 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -25.890 14.799 -16.832 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -24.827 15.691 -17.925 1.00 0.00 H new ATOM 1325 N ALA A 86 -21.743 10.147 -9.468 1.00 0.00 N ATOM 1326 CA ALA A 86 -20.676 9.727 -8.567 1.00 0.00 C ATOM 1327 C ALA A 86 -19.520 9.102 -9.337 1.00 0.00 C ATOM 1328 O ALA A 86 -19.713 8.525 -10.407 1.00 0.00 O ATOM 1329 CB ALA A 86 -21.212 8.749 -7.532 1.00 0.00 C ATOM 0 H ALA A 86 -22.561 9.538 -9.465 1.00 0.00 H new ATOM 0 HA ALA A 86 -20.300 10.612 -8.054 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -20.404 8.444 -6.867 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -21.999 9.229 -6.951 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -21.617 7.872 -8.036 1.00 0.00 H new ATOM 1335 N LEU A 87 -18.316 9.221 -8.786 1.00 0.00 N ATOM 1336 CA LEU A 87 -17.129 8.645 -9.406 1.00 0.00 C ATOM 1337 C LEU A 87 -16.592 7.478 -8.588 1.00 0.00 C ATOM 1338 O LEU A 87 -16.704 7.462 -7.362 1.00 0.00 O ATOM 1339 CB LEU A 87 -16.040 9.714 -9.561 1.00 0.00 C ATOM 1340 CG LEU A 87 -16.416 10.927 -10.421 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -15.268 11.926 -10.420 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -16.740 10.467 -11.835 1.00 0.00 C ATOM 0 H LEU A 87 -18.137 9.712 -7.910 1.00 0.00 H new ATOM 0 HA LEU A 87 -17.413 8.273 -10.390 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.760 10.068 -8.569 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.156 9.246 -9.993 1.00 0.00 H new ATOM 0 HG LEU A 87 -17.298 11.417 -10.009 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.535 12.788 -11.031 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -15.071 12.252 -9.399 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -14.375 11.454 -10.829 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -17.007 11.329 -12.446 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -15.869 9.973 -12.266 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -17.576 9.769 -11.808 1.00 0.00 H new ATOM 1354 N ARG A 88 -16.007 6.501 -9.273 1.00 0.00 N ATOM 1355 CA ARG A 88 -15.353 5.382 -8.606 1.00 0.00 C ATOM 1356 C ARG A 88 -13.837 5.534 -8.635 1.00 0.00 C ATOM 1357 O ARG A 88 -13.236 5.657 -9.702 1.00 0.00 O ATOM 1358 CB ARG A 88 -15.740 4.066 -9.263 1.00 0.00 C ATOM 1359 CG ARG A 88 -15.079 2.834 -8.666 1.00 0.00 C ATOM 1360 CD ARG A 88 -15.529 1.588 -9.338 1.00 0.00 C ATOM 1361 NE ARG A 88 -14.858 0.412 -8.808 1.00 0.00 N ATOM 1362 CZ ARG A 88 -15.056 -0.845 -9.248 1.00 0.00 C ATOM 1363 NH1 ARG A 88 -15.907 -1.074 -10.224 1.00 0.00 N ATOM 1364 NH2 ARG A 88 -14.395 -1.850 -8.699 1.00 0.00 N ATOM 0 H ARG A 88 -15.973 6.462 -10.292 1.00 0.00 H new ATOM 0 HA ARG A 88 -15.686 5.380 -7.568 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -16.822 3.948 -9.197 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -15.489 4.118 -10.322 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.996 2.924 -8.753 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -15.309 2.777 -7.602 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -16.606 1.478 -9.214 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -15.337 1.664 -10.408 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.190 0.549 -8.049 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -16.417 -0.299 -10.648 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.057 -2.026 -10.557 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -13.735 -1.673 -7.942 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.545 -2.802 -9.033 1.00 0.00 H new ATOM 1378 N VAL A 89 -13.224 5.524 -7.456 1.00 0.00 N ATOM 1379 CA VAL A 89 -11.811 5.859 -7.324 1.00 0.00 C ATOM 1380 C VAL A 89 -11.059 4.784 -6.551 1.00 0.00 C ATOM 1381 O VAL A 89 -11.514 4.327 -5.502 1.00 0.00 O ATOM 1382 CB VAL A 89 -11.648 7.212 -6.606 1.00 0.00 C ATOM 1383 CG1 VAL A 89 -10.175 7.567 -6.467 1.00 0.00 C ATOM 1384 CG2 VAL A 89 -12.395 8.296 -7.369 1.00 0.00 C ATOM 0 H VAL A 89 -13.684 5.287 -6.577 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.391 5.924 -8.328 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.072 7.135 -5.605 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.078 8.526 -5.958 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.668 6.795 -5.888 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.722 7.634 -7.456 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -12.276 9.250 -6.856 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.992 8.374 -8.379 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -13.454 8.041 -7.420 1.00 0.00 H new ATOM 1394 N ASP A 90 -9.907 4.382 -7.076 1.00 0.00 N ATOM 1395 CA ASP A 90 -9.101 3.341 -6.449 1.00 0.00 C ATOM 1396 C ASP A 90 -7.619 3.542 -6.739 1.00 0.00 C ATOM 1397 O ASP A 90 -7.245 4.385 -7.554 1.00 0.00 O ATOM 1398 CB ASP A 90 -9.539 1.958 -6.935 1.00 0.00 C ATOM 1399 CG ASP A 90 -9.300 0.864 -5.903 1.00 0.00 C ATOM 1400 OD1 ASP A 90 -8.530 1.085 -4.998 1.00 0.00 O ATOM 1401 OD2 ASP A 90 -9.889 -0.183 -6.029 1.00 0.00 O ATOM 0 H ASP A 90 -9.510 4.762 -7.935 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.255 3.408 -5.372 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.599 1.986 -7.188 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.999 1.712 -7.849 1.00 0.00 H new ATOM 1406 N ASN A 91 -6.779 2.763 -6.066 1.00 0.00 N ATOM 1407 CA ASN A 91 -5.335 2.864 -6.240 1.00 0.00 C ATOM 1408 C ASN A 91 -4.880 2.149 -7.505 1.00 0.00 C ATOM 1409 O ASN A 91 -5.150 0.962 -7.690 1.00 0.00 O ATOM 1410 CB ASN A 91 -4.611 2.312 -5.025 1.00 0.00 C ATOM 1411 CG ASN A 91 -3.138 2.611 -5.044 1.00 0.00 C ATOM 1412 OD1 ASN A 91 -2.567 2.911 -6.099 1.00 0.00 O ATOM 1413 ND2 ASN A 91 -2.512 2.536 -3.898 1.00 0.00 N ATOM 0 H ASN A 91 -7.074 2.054 -5.394 1.00 0.00 H new ATOM 0 HA ASN A 91 -5.084 3.920 -6.344 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.052 2.733 -4.122 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -4.758 1.233 -4.978 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -1.512 2.729 -3.850 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -3.024 2.285 -3.053 1.00 0.00 H new ATOM 1420 N ALA A 92 -4.189 2.878 -8.375 1.00 0.00 N ATOM 1421 CA ALA A 92 -3.759 2.336 -9.658 1.00 0.00 C ATOM 1422 C ALA A 92 -2.704 1.252 -9.473 1.00 0.00 C ATOM 1423 O ALA A 92 -2.514 0.403 -10.344 1.00 0.00 O ATOM 1424 CB ALA A 92 -3.225 3.447 -10.551 1.00 0.00 C ATOM 0 H ALA A 92 -3.915 3.847 -8.214 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.626 1.883 -10.139 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.908 3.026 -11.505 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.009 4.185 -10.722 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -2.375 3.927 -10.066 1.00 0.00 H new ATOM 1430 N ALA A 93 -2.021 1.287 -8.335 1.00 0.00 N ATOM 1431 CA ALA A 93 -0.960 0.329 -8.048 1.00 0.00 C ATOM 1432 C ALA A 93 -1.485 -1.100 -8.081 1.00 0.00 C ATOM 1433 O ALA A 93 -2.527 -1.403 -7.500 1.00 0.00 O ATOM 1434 CB ALA A 93 -0.326 0.628 -6.697 1.00 0.00 C ATOM 0 H ALA A 93 -2.183 1.970 -7.595 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.200 0.427 -8.823 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.464 -0.096 -6.498 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.097 1.633 -6.708 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.084 0.562 -5.917 1.00 0.00 H new ATOM 1440 N SER A 94 -0.758 -1.977 -8.766 1.00 0.00 N ATOM 1441 CA SER A 94 -1.106 -3.392 -8.811 1.00 0.00 C ATOM 1442 C SER A 94 -0.723 -4.095 -7.515 1.00 0.00 C ATOM 1443 O SER A 94 0.004 -3.543 -6.689 1.00 0.00 O ATOM 1444 CB SER A 94 -0.415 -4.062 -9.983 1.00 0.00 C ATOM 1445 OG SER A 94 0.966 -4.156 -9.765 1.00 0.00 O ATOM 0 H SER A 94 0.077 -1.732 -9.298 1.00 0.00 H new ATOM 0 HA SER A 94 -2.186 -3.469 -8.935 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.831 -5.058 -10.134 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.605 -3.495 -10.894 1.00 0.00 H new ATOM 0 HG SER A 94 1.389 -4.593 -10.533 1.00 0.00 H new ATOM 1451 N GLU A 95 -1.217 -5.316 -7.342 1.00 0.00 N ATOM 1452 CA GLU A 95 -0.938 -6.093 -6.140 1.00 0.00 C ATOM 1453 C GLU A 95 0.540 -6.448 -6.046 1.00 0.00 C ATOM 1454 O GLU A 95 1.103 -6.520 -4.953 1.00 0.00 O ATOM 1455 CB GLU A 95 -1.782 -7.369 -6.121 1.00 0.00 C ATOM 1456 CG GLU A 95 -3.279 -7.131 -5.983 1.00 0.00 C ATOM 1457 CD GLU A 95 -3.640 -6.400 -4.720 1.00 0.00 C ATOM 1458 OE1 GLU A 95 -3.170 -6.786 -3.677 1.00 0.00 O ATOM 1459 OE2 GLU A 95 -4.388 -5.453 -4.798 1.00 0.00 O ATOM 0 H GLU A 95 -1.814 -5.790 -8.020 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.199 -5.479 -5.278 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.598 -7.925 -7.040 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.449 -7.998 -5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.632 -6.559 -6.841 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.798 -8.089 -6.003 1.00 0.00 H new ATOM 1466 N LYS A 96 1.165 -6.671 -7.197 1.00 0.00 N ATOM 1467 CA LYS A 96 2.600 -6.924 -7.254 1.00 0.00 C ATOM 1468 C LYS A 96 3.393 -5.696 -6.829 1.00 0.00 C ATOM 1469 O LYS A 96 4.395 -5.806 -6.122 1.00 0.00 O ATOM 1470 CB LYS A 96 3.012 -7.355 -8.663 1.00 0.00 C ATOM 1471 CG LYS A 96 2.527 -8.742 -9.064 1.00 0.00 C ATOM 1472 CD LYS A 96 2.959 -9.090 -10.480 1.00 0.00 C ATOM 1473 CE LYS A 96 2.467 -10.471 -10.886 1.00 0.00 C ATOM 1474 NZ LYS A 96 2.850 -10.810 -12.284 1.00 0.00 N ATOM 0 H LYS A 96 0.699 -6.682 -8.104 1.00 0.00 H new ATOM 0 HA LYS A 96 2.824 -7.732 -6.557 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.628 -6.628 -9.379 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.099 -7.329 -8.734 1.00 0.00 H new ATOM 0 HG2 LYS A 96 2.922 -9.483 -8.369 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.440 -8.785 -8.992 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.570 -8.345 -11.174 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.046 -9.054 -10.550 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.879 -11.217 -10.206 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.382 -10.513 -10.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.496 -11.759 -12.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.436 -10.113 -12.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.886 -10.795 -12.373 1.00 0.00 H new ATOM 1488 N ASN A 97 2.939 -4.525 -7.263 1.00 0.00 N ATOM 1489 CA ASN A 97 3.569 -3.268 -6.877 1.00 0.00 C ATOM 1490 C ASN A 97 3.394 -2.999 -5.388 1.00 0.00 C ATOM 1491 O ASN A 97 4.276 -2.433 -4.742 1.00 0.00 O ATOM 1492 CB ASN A 97 3.012 -2.118 -7.696 1.00 0.00 C ATOM 1493 CG ASN A 97 3.468 -2.154 -9.128 1.00 0.00 C ATOM 1494 OD1 ASN A 97 4.184 -3.074 -9.541 1.00 0.00 O ATOM 1495 ND2 ASN A 97 3.067 -1.172 -9.894 1.00 0.00 N ATOM 0 H ASN A 97 2.136 -4.420 -7.883 1.00 0.00 H new ATOM 0 HA ASN A 97 4.637 -3.352 -7.079 1.00 0.00 H new ATOM 0 HB2 ASN A 97 1.923 -2.148 -7.665 1.00 0.00 H new ATOM 0 HB3 ASN A 97 3.318 -1.174 -7.245 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.345 -1.144 -10.875 1.00 0.00 H new ATOM 0 HD22 ASN A 97 2.477 -0.434 -9.510 1.00 0.00 H new ATOM 1502 N LYS A 98 2.252 -3.408 -4.848 1.00 0.00 N ATOM 1503 CA LYS A 98 1.995 -3.292 -3.417 1.00 0.00 C ATOM 1504 C LYS A 98 2.983 -4.124 -2.611 1.00 0.00 C ATOM 1505 O LYS A 98 3.465 -3.691 -1.564 1.00 0.00 O ATOM 1506 CB LYS A 98 0.562 -3.717 -3.094 1.00 0.00 C ATOM 1507 CG LYS A 98 -0.507 -2.745 -3.574 1.00 0.00 C ATOM 1508 CD LYS A 98 -1.904 -3.269 -3.278 1.00 0.00 C ATOM 1509 CE LYS A 98 -2.973 -2.366 -3.877 1.00 0.00 C ATOM 1510 NZ LYS A 98 -4.344 -2.897 -3.644 1.00 0.00 N ATOM 0 H LYS A 98 1.488 -3.824 -5.380 1.00 0.00 H new ATOM 0 HA LYS A 98 2.125 -2.246 -3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.376 -4.693 -3.542 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.467 -3.839 -2.015 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.368 -1.779 -3.088 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -0.397 -2.581 -4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.009 -4.277 -3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.047 -3.340 -2.200 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.891 -1.370 -3.443 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.801 -2.262 -4.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.043 -2.244 -4.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.436 -3.830 -4.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.512 -2.988 -2.622 1.00 0.00 H new ATOM 1524 N GLU A 99 3.283 -5.321 -3.104 1.00 0.00 N ATOM 1525 CA GLU A 99 4.224 -6.211 -2.437 1.00 0.00 C ATOM 1526 C GLU A 99 5.631 -5.627 -2.438 1.00 0.00 C ATOM 1527 O GLU A 99 6.386 -5.799 -1.481 1.00 0.00 O ATOM 1528 CB GLU A 99 4.232 -7.584 -3.113 1.00 0.00 C ATOM 1529 CG GLU A 99 2.959 -8.394 -2.907 1.00 0.00 C ATOM 1530 CD GLU A 99 2.688 -8.698 -1.460 1.00 0.00 C ATOM 1531 OE1 GLU A 99 3.585 -9.148 -0.788 1.00 0.00 O ATOM 1532 OE2 GLU A 99 1.582 -8.479 -1.025 1.00 0.00 O ATOM 0 H GLU A 99 2.887 -5.697 -3.965 1.00 0.00 H new ATOM 0 HA GLU A 99 3.899 -6.323 -1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.392 -7.448 -4.183 1.00 0.00 H new ATOM 0 HB3 GLU A 99 5.078 -8.157 -2.734 1.00 0.00 H new ATOM 0 HG2 GLU A 99 2.114 -7.845 -3.322 1.00 0.00 H new ATOM 0 HG3 GLU A 99 3.035 -9.329 -3.462 1.00 0.00 H new ATOM 1539 N GLU A 100 5.977 -4.934 -3.517 1.00 0.00 N ATOM 1540 CA GLU A 100 7.226 -4.184 -3.578 1.00 0.00 C ATOM 1541 C GLU A 100 7.258 -3.081 -2.528 1.00 0.00 C ATOM 1542 O GLU A 100 8.257 -2.904 -1.831 1.00 0.00 O ATOM 1543 CB GLU A 100 7.419 -3.581 -4.972 1.00 0.00 C ATOM 1544 CG GLU A 100 8.624 -2.660 -5.097 1.00 0.00 C ATOM 1545 CD GLU A 100 9.932 -3.382 -4.932 1.00 0.00 C ATOM 1546 OE1 GLU A 100 9.935 -4.588 -4.996 1.00 0.00 O ATOM 1547 OE2 GLU A 100 10.930 -2.727 -4.742 1.00 0.00 O ATOM 0 H GLU A 100 5.409 -4.876 -4.362 1.00 0.00 H new ATOM 0 HA GLU A 100 8.041 -4.878 -3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.520 -4.391 -5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.522 -3.024 -5.241 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.604 -2.174 -6.072 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.552 -1.872 -4.347 1.00 0.00 H new ATOM 1554 N LEU A 101 6.160 -2.341 -2.420 1.00 0.00 N ATOM 1555 CA LEU A 101 6.056 -1.261 -1.447 1.00 0.00 C ATOM 1556 C LEU A 101 6.192 -1.787 -0.024 1.00 0.00 C ATOM 1557 O LEU A 101 6.756 -1.121 0.844 1.00 0.00 O ATOM 1558 CB LEU A 101 4.715 -0.533 -1.604 1.00 0.00 C ATOM 1559 CG LEU A 101 4.543 0.272 -2.899 1.00 0.00 C ATOM 1560 CD1 LEU A 101 3.100 0.745 -3.015 1.00 0.00 C ATOM 1561 CD2 LEU A 101 5.506 1.449 -2.896 1.00 0.00 C ATOM 0 H LEU A 101 5.328 -2.470 -2.996 1.00 0.00 H new ATOM 0 HA LEU A 101 6.871 -0.562 -1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.914 -1.270 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.588 0.143 -0.758 1.00 0.00 H new ATOM 0 HG LEU A 101 4.769 -0.355 -3.761 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.977 1.317 -3.935 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.435 -0.118 -3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.854 1.375 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.384 2.021 -3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.295 2.089 -2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.530 1.081 -2.830 1.00 0.00 H new ATOM 1573 N LYS A 102 5.671 -2.987 0.210 1.00 0.00 N ATOM 1574 CA LYS A 102 5.804 -3.641 1.507 1.00 0.00 C ATOM 1575 C LYS A 102 7.267 -3.882 1.854 1.00 0.00 C ATOM 1576 O LYS A 102 7.689 -3.665 2.990 1.00 0.00 O ATOM 1577 CB LYS A 102 5.035 -4.962 1.522 1.00 0.00 C ATOM 1578 CG LYS A 102 3.519 -4.808 1.533 1.00 0.00 C ATOM 1579 CD LYS A 102 2.826 -6.162 1.495 1.00 0.00 C ATOM 1580 CE LYS A 102 1.314 -6.008 1.424 1.00 0.00 C ATOM 1581 NZ LYS A 102 0.624 -7.324 1.341 1.00 0.00 N ATOM 0 H LYS A 102 5.152 -3.527 -0.483 1.00 0.00 H new ATOM 0 HA LYS A 102 5.380 -2.977 2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.322 -5.546 0.647 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.336 -5.534 2.400 1.00 0.00 H new ATOM 0 HG2 LYS A 102 3.213 -4.265 2.427 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.206 -4.212 0.676 1.00 0.00 H new ATOM 0 HD2 LYS A 102 3.177 -6.728 0.632 1.00 0.00 H new ATOM 0 HD3 LYS A 102 3.094 -6.735 2.383 1.00 0.00 H new ATOM 0 HE2 LYS A 102 0.963 -5.469 2.304 1.00 0.00 H new ATOM 0 HE3 LYS A 102 1.051 -5.405 0.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -0.405 -7.181 1.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 0.861 -7.784 0.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 0.933 -7.928 2.129 1.00 0.00 H new ATOM 1595 N SER A 103 8.037 -4.333 0.870 1.00 0.00 N ATOM 1596 CA SER A 103 9.455 -4.609 1.071 1.00 0.00 C ATOM 1597 C SER A 103 10.262 -3.319 1.146 1.00 0.00 C ATOM 1598 O SER A 103 11.343 -3.285 1.734 1.00 0.00 O ATOM 1599 CB SER A 103 9.981 -5.481 -0.052 1.00 0.00 C ATOM 1600 OG SER A 103 10.033 -4.770 -1.258 1.00 0.00 O ATOM 0 H SER A 103 7.703 -4.516 -0.076 1.00 0.00 H new ATOM 0 HA SER A 103 9.564 -5.136 2.019 1.00 0.00 H new ATOM 0 HB2 SER A 103 10.976 -5.846 0.202 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.341 -6.355 -0.169 1.00 0.00 H new ATOM 0 HG SER A 103 9.166 -4.346 -1.425 1.00 0.00 H new ATOM 1606 N LEU A 104 9.731 -2.260 0.545 1.00 0.00 N ATOM 1607 CA LEU A 104 10.358 -0.945 0.617 1.00 0.00 C ATOM 1608 C LEU A 104 10.080 -0.275 1.957 1.00 0.00 C ATOM 1609 O LEU A 104 10.926 0.442 2.490 1.00 0.00 O ATOM 1610 CB LEU A 104 9.850 -0.053 -0.523 1.00 0.00 C ATOM 1611 CG LEU A 104 10.281 -0.468 -1.935 1.00 0.00 C ATOM 1612 CD1 LEU A 104 9.541 0.378 -2.962 1.00 0.00 C ATOM 1613 CD2 LEU A 104 11.787 -0.305 -2.075 1.00 0.00 C ATOM 0 H LEU A 104 8.868 -2.286 0.002 1.00 0.00 H new ATOM 0 HA LEU A 104 11.435 -1.082 0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 104 8.761 -0.034 -0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.193 0.966 -0.343 1.00 0.00 H new ATOM 0 HG LEU A 104 10.031 -1.515 -2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.848 0.083 -3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.467 0.227 -2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 104 9.778 1.430 -2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 104 12.093 -0.600 -3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 104 12.058 0.737 -1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 104 12.291 -0.935 -1.342 1.00 0.00 H new ATOM 1625 N GLY A 105 8.889 -0.513 2.496 1.00 0.00 N ATOM 1626 CA GLY A 105 8.489 0.085 3.764 1.00 0.00 C ATOM 1627 C GLY A 105 7.587 1.292 3.543 1.00 0.00 C ATOM 1628 O GLY A 105 7.539 2.203 4.370 1.00 0.00 O ATOM 0 H GLY A 105 8.183 -1.117 2.074 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.968 -0.656 4.370 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.375 0.387 4.322 1.00 0.00 H new ATOM 1632 N THR A 106 6.872 1.293 2.423 1.00 0.00 N ATOM 1633 CA THR A 106 5.971 2.390 2.091 1.00 0.00 C ATOM 1634 C THR A 106 4.514 1.971 2.240 1.00 0.00 C ATOM 1635 O THR A 106 4.005 1.948 3.326 1.00 0.00 O ATOM 1636 CB THR A 106 6.220 2.897 0.657 1.00 0.00 C ATOM 1637 OG1 THR A 106 7.559 3.395 0.549 1.00 0.00 O ATOM 1638 CG2 THR A 106 5.240 4.006 0.306 1.00 0.00 C ATOM 0 H THR A 106 6.899 0.546 1.729 1.00 0.00 H new ATOM 0 HA THR A 106 6.176 3.199 2.792 1.00 0.00 H new ATOM 0 HB THR A 106 6.077 2.067 -0.036 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.716 3.715 -0.364 1.00 0.00 H new ATOM 0 HG21 THR A 106 5.431 4.352 -0.710 1.00 0.00 H new ATOM 0 HG22 THR A 106 4.221 3.626 0.375 1.00 0.00 H new ATOM 0 HG23 THR A 106 5.365 4.836 1.001 1.00 0.00 H new TER 1646 THR A 106