USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 564 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 15:sc= 0.0812 USER MOD Single : A 5 SER OG : rot 50:sc= 0.00195 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot -74:sc= -4.62! USER MOD Single : A 22 ASN : amide:sc= -0.318 X(o=-0.32,f=-0.06) USER MOD Single : A 23 GLN : amide:sc= -0.163 K(o=-0.16,f=-1.8!) USER MOD Single : A 25 ASN : amide:sc= -0.267 K(o=-0.27,f=-3!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 146:sc= -1.03 (180deg=-2.1!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 49 HIS : no HD1:sc= -0.71 K(o=-0.71,f=-1.3) USER MOD Single : A 50 TYR OH : rot 159:sc= -0.238 USER MOD Single : A 54 ASN : amide:sc= -0.978 K(o=-0.98,f=-2.5) USER MOD Single : A 62 THR OG1 : rot -165:sc= -1.6 USER MOD Single : A 63 HIS :FLIP no HE2:sc= -0.504 F(o=-1.6!,f=-0.5) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= -0.136 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.120 -14.380 10.434 1.00 0.00 N ATOM 2 CA GLY A 1 23.200 -13.999 9.034 1.00 0.00 C ATOM 3 C GLY A 1 22.315 -12.784 8.744 1.00 0.00 C ATOM 4 O GLY A 1 22.815 -11.672 8.581 1.00 0.00 O ATOM 0 H1 GLY A 1 23.729 -15.206 10.604 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.437 -13.588 11.028 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.137 -14.620 10.673 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.234 -13.771 8.774 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.891 -14.836 8.408 1.00 0.00 H new ATOM 8 N SER A 2 21.016 -13.039 8.691 1.00 0.00 N ATOM 9 CA SER A 2 20.057 -11.980 8.423 1.00 0.00 C ATOM 10 C SER A 2 20.302 -11.390 7.033 1.00 0.00 C ATOM 11 O SER A 2 21.439 -11.085 6.677 1.00 0.00 O ATOM 12 CB SER A 2 20.137 -10.884 9.487 1.00 0.00 C ATOM 13 OG SER A 2 19.062 -10.965 10.420 1.00 0.00 O ATOM 0 H SER A 2 20.605 -13.962 8.829 1.00 0.00 H new ATOM 0 HA SER A 2 19.056 -12.409 8.456 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.085 -10.964 10.019 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.124 -9.907 9.003 1.00 0.00 H new ATOM 0 HG SER A 2 19.150 -10.249 11.084 1.00 0.00 H new ATOM 18 N SER A 3 19.217 -11.248 6.286 1.00 0.00 N ATOM 19 CA SER A 3 19.300 -10.701 4.943 1.00 0.00 C ATOM 20 C SER A 3 18.054 -9.865 4.641 1.00 0.00 C ATOM 21 O SER A 3 16.971 -10.411 4.436 1.00 0.00 O ATOM 22 CB SER A 3 19.459 -11.811 3.904 1.00 0.00 C ATOM 23 OG SER A 3 20.791 -12.316 3.860 1.00 0.00 O ATOM 0 H SER A 3 18.276 -11.502 6.586 1.00 0.00 H new ATOM 0 HA SER A 3 20.181 -10.062 4.888 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.771 -12.624 4.134 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.184 -11.429 2.921 1.00 0.00 H new ATOM 0 HG SER A 3 21.280 -12.020 4.656 1.00 0.00 H new ATOM 28 N GLY A 4 18.249 -8.555 4.623 1.00 0.00 N ATOM 29 CA GLY A 4 17.155 -7.639 4.349 1.00 0.00 C ATOM 30 C GLY A 4 16.720 -7.727 2.885 1.00 0.00 C ATOM 31 O GLY A 4 17.384 -8.369 2.074 1.00 0.00 O ATOM 0 H GLY A 4 19.149 -8.106 4.794 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.310 -7.871 4.998 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.463 -6.619 4.580 1.00 0.00 H new ATOM 35 N SER A 5 15.605 -7.072 2.592 1.00 0.00 N ATOM 36 CA SER A 5 15.073 -7.069 1.240 1.00 0.00 C ATOM 37 C SER A 5 14.092 -5.908 1.066 1.00 0.00 C ATOM 38 O SER A 5 13.525 -5.419 2.043 1.00 0.00 O ATOM 39 CB SER A 5 14.387 -8.397 0.914 1.00 0.00 C ATOM 40 OG SER A 5 15.140 -9.174 -0.012 1.00 0.00 O ATOM 0 H SER A 5 15.056 -6.540 3.268 1.00 0.00 H new ATOM 0 HA SER A 5 15.904 -6.941 0.546 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.244 -8.966 1.833 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.397 -8.202 0.502 1.00 0.00 H new ATOM 0 HG SER A 5 16.069 -9.237 0.293 1.00 0.00 H new ATOM 45 N SER A 6 13.921 -5.500 -0.182 1.00 0.00 N ATOM 46 CA SER A 6 13.018 -4.406 -0.496 1.00 0.00 C ATOM 47 C SER A 6 11.721 -4.953 -1.095 1.00 0.00 C ATOM 48 O SER A 6 11.744 -5.611 -2.134 1.00 0.00 O ATOM 49 CB SER A 6 13.670 -3.411 -1.459 1.00 0.00 C ATOM 50 OG SER A 6 13.833 -2.125 -0.869 1.00 0.00 O ATOM 0 H SER A 6 14.393 -5.908 -0.989 1.00 0.00 H new ATOM 0 HA SER A 6 12.788 -3.877 0.429 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.642 -3.793 -1.771 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.059 -3.323 -2.357 1.00 0.00 H new ATOM 0 HG SER A 6 14.254 -1.520 -1.515 1.00 0.00 H new ATOM 55 N GLY A 7 10.622 -4.660 -0.415 1.00 0.00 N ATOM 56 CA GLY A 7 9.319 -5.114 -0.868 1.00 0.00 C ATOM 57 C GLY A 7 9.354 -6.598 -1.239 1.00 0.00 C ATOM 58 O GLY A 7 8.945 -6.977 -2.335 1.00 0.00 O ATOM 0 H GLY A 7 10.608 -4.114 0.446 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.580 -4.949 -0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.005 -4.527 -1.731 1.00 0.00 H new ATOM 62 N GLY A 8 9.847 -7.398 -0.304 1.00 0.00 N ATOM 63 CA GLY A 8 9.941 -8.831 -0.519 1.00 0.00 C ATOM 64 C GLY A 8 8.725 -9.351 -1.291 1.00 0.00 C ATOM 65 O GLY A 8 8.790 -9.537 -2.505 1.00 0.00 O ATOM 0 H GLY A 8 10.185 -7.080 0.604 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.852 -9.060 -1.071 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.013 -9.342 0.441 1.00 0.00 H new ATOM 69 N GLU A 9 7.646 -9.570 -0.554 1.00 0.00 N ATOM 70 CA GLU A 9 6.419 -10.063 -1.154 1.00 0.00 C ATOM 71 C GLU A 9 5.209 -9.339 -0.559 1.00 0.00 C ATOM 72 O GLU A 9 5.114 -9.176 0.656 1.00 0.00 O ATOM 73 CB GLU A 9 6.292 -11.578 -0.976 1.00 0.00 C ATOM 74 CG GLU A 9 5.722 -11.923 0.401 1.00 0.00 C ATOM 75 CD GLU A 9 6.270 -13.262 0.900 1.00 0.00 C ATOM 76 OE1 GLU A 9 5.885 -14.291 0.303 1.00 0.00 O ATOM 77 OE2 GLU A 9 7.060 -13.226 1.869 1.00 0.00 O ATOM 0 H GLU A 9 7.596 -9.415 0.453 1.00 0.00 H new ATOM 0 HA GLU A 9 6.452 -9.857 -2.224 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.646 -11.986 -1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.270 -12.045 -1.096 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.974 -11.135 1.111 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.634 -11.968 0.348 1.00 0.00 H new ATOM 82 N ILE A 10 4.314 -8.925 -1.445 1.00 0.00 N ATOM 83 CA ILE A 10 3.114 -8.221 -1.022 1.00 0.00 C ATOM 84 C ILE A 10 2.207 -9.185 -0.255 1.00 0.00 C ATOM 85 O ILE A 10 1.611 -10.085 -0.844 1.00 0.00 O ATOM 86 CB ILE A 10 2.433 -7.558 -2.220 1.00 0.00 C ATOM 87 CG1 ILE A 10 3.172 -6.285 -2.636 1.00 0.00 C ATOM 88 CG2 ILE A 10 0.953 -7.295 -1.933 1.00 0.00 C ATOM 89 CD1 ILE A 10 2.875 -5.139 -1.668 1.00 0.00 C ATOM 0 H ILE A 10 4.395 -9.063 -2.452 1.00 0.00 H new ATOM 0 HA ILE A 10 3.368 -7.410 -0.339 1.00 0.00 H new ATOM 0 HB ILE A 10 2.480 -8.247 -3.064 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.245 -6.475 -2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.874 -6.000 -3.645 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.492 -6.823 -2.801 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.450 -8.239 -1.723 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.861 -6.635 -1.070 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.412 -4.246 -1.986 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.804 -4.936 -1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.197 -5.418 -0.665 1.00 0.00 H new ATOM 100 N ILE A 11 2.133 -8.965 1.050 1.00 0.00 N ATOM 101 CA ILE A 11 1.308 -9.803 1.905 1.00 0.00 C ATOM 102 C ILE A 11 0.143 -8.976 2.451 1.00 0.00 C ATOM 103 O ILE A 11 0.112 -7.757 2.288 1.00 0.00 O ATOM 104 CB ILE A 11 2.161 -10.459 2.993 1.00 0.00 C ATOM 105 CG1 ILE A 11 2.639 -9.424 4.013 1.00 0.00 C ATOM 106 CG2 ILE A 11 3.324 -11.242 2.381 1.00 0.00 C ATOM 107 CD1 ILE A 11 1.562 -9.153 5.065 1.00 0.00 C ATOM 0 H ILE A 11 2.631 -8.219 1.536 1.00 0.00 H new ATOM 0 HA ILE A 11 0.875 -10.624 1.333 1.00 0.00 H new ATOM 0 HB ILE A 11 1.539 -11.175 3.529 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.547 -9.780 4.500 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.895 -8.496 3.502 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.914 -11.698 3.176 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.934 -12.021 1.726 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.954 -10.565 1.804 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.927 -8.414 5.778 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.664 -8.774 4.577 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.326 -10.078 5.591 1.00 0.00 H new ATOM 118 N GLU A 12 -0.787 -9.671 3.088 1.00 0.00 N ATOM 119 CA GLU A 12 -1.951 -9.016 3.660 1.00 0.00 C ATOM 120 C GLU A 12 -1.552 -8.206 4.895 1.00 0.00 C ATOM 121 O GLU A 12 -0.988 -8.750 5.843 1.00 0.00 O ATOM 122 CB GLU A 12 -3.041 -10.035 4.001 1.00 0.00 C ATOM 123 CG GLU A 12 -3.486 -10.800 2.753 1.00 0.00 C ATOM 124 CD GLU A 12 -4.443 -11.937 3.119 1.00 0.00 C ATOM 125 OE1 GLU A 12 -5.385 -11.659 3.893 1.00 0.00 O ATOM 126 OE2 GLU A 12 -4.210 -13.058 2.619 1.00 0.00 O ATOM 0 H GLU A 12 -0.758 -10.682 3.221 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.359 -8.331 2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.668 -10.736 4.748 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.896 -9.524 4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.976 -10.117 2.059 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.614 -11.205 2.240 1.00 0.00 H new ATOM 131 N GLY A 13 -1.861 -6.918 4.844 1.00 0.00 N ATOM 132 CA GLY A 13 -1.542 -6.028 5.947 1.00 0.00 C ATOM 133 C GLY A 13 -0.582 -4.924 5.499 1.00 0.00 C ATOM 134 O GLY A 13 -0.600 -3.822 6.045 1.00 0.00 O ATOM 0 H GLY A 13 -2.329 -6.470 4.056 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.458 -5.583 6.337 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.093 -6.598 6.761 1.00 0.00 H new ATOM 138 N CYS A 14 0.234 -5.259 4.510 1.00 0.00 N ATOM 139 CA CYS A 14 1.200 -4.310 3.983 1.00 0.00 C ATOM 140 C CYS A 14 0.464 -3.007 3.656 1.00 0.00 C ATOM 141 O CYS A 14 -0.640 -3.033 3.115 1.00 0.00 O ATOM 142 CB CYS A 14 1.937 -4.870 2.765 1.00 0.00 C ATOM 143 SG CYS A 14 3.312 -5.950 3.308 1.00 0.00 S ATOM 0 H CYS A 14 0.246 -6.174 4.060 1.00 0.00 H new ATOM 0 HA CYS A 14 1.968 -4.115 4.732 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.246 -5.434 2.139 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.324 -4.053 2.156 1.00 0.00 H new ATOM 0 HG CYS A 14 4.281 -5.218 3.773 1.00 0.00 H new ATOM 148 N ARG A 15 1.108 -1.901 3.998 1.00 0.00 N ATOM 149 CA ARG A 15 0.529 -0.592 3.748 1.00 0.00 C ATOM 150 C ARG A 15 1.391 0.189 2.753 1.00 0.00 C ATOM 151 O ARG A 15 2.565 0.445 3.012 1.00 0.00 O ATOM 152 CB ARG A 15 0.404 0.212 5.043 1.00 0.00 C ATOM 153 CG ARG A 15 -0.980 0.029 5.671 1.00 0.00 C ATOM 154 CD ARG A 15 -1.234 1.080 6.754 1.00 0.00 C ATOM 155 NE ARG A 15 -1.256 0.437 8.087 1.00 0.00 N ATOM 156 CZ ARG A 15 -0.161 0.179 8.815 1.00 0.00 C ATOM 157 NH1 ARG A 15 1.049 0.508 8.343 1.00 0.00 N ATOM 158 NH2 ARG A 15 -0.276 -0.406 10.015 1.00 0.00 N ATOM 0 H ARG A 15 2.024 -1.884 4.446 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.466 -0.745 3.331 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.172 -0.106 5.748 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.577 1.268 4.838 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.746 0.104 4.899 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.059 -0.969 6.102 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.456 1.843 6.722 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.183 1.584 6.568 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.161 0.174 8.476 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.136 0.955 7.430 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.883 0.312 8.897 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.197 -0.655 10.375 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.558 -0.602 10.569 1.00 0.00 H new ATOM 169 N LEU A 16 0.774 0.544 1.636 1.00 0.00 N ATOM 170 CA LEU A 16 1.470 1.289 0.601 1.00 0.00 C ATOM 171 C LEU A 16 0.480 2.216 -0.106 1.00 0.00 C ATOM 172 O LEU A 16 -0.724 1.964 -0.104 1.00 0.00 O ATOM 173 CB LEU A 16 2.202 0.335 -0.346 1.00 0.00 C ATOM 174 CG LEU A 16 1.660 -1.094 -0.410 1.00 0.00 C ATOM 175 CD1 LEU A 16 0.130 -1.102 -0.394 1.00 0.00 C ATOM 176 CD2 LEU A 16 2.225 -1.840 -1.621 1.00 0.00 C ATOM 0 H LEU A 16 -0.201 0.329 1.425 1.00 0.00 H new ATOM 0 HA LEU A 16 2.242 1.921 1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.173 0.759 -1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.250 0.292 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 16 1.993 -1.626 0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.229 -2.130 -0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.227 -0.634 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.246 -0.547 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.824 -2.853 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.942 -1.317 -2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.312 -1.881 -1.548 1.00 0.00 H new ATOM 187 N PRO A 17 1.038 3.300 -0.710 1.00 0.00 N ATOM 188 CA PRO A 17 0.218 4.267 -1.420 1.00 0.00 C ATOM 189 C PRO A 17 -0.243 3.710 -2.767 1.00 0.00 C ATOM 190 O PRO A 17 0.549 3.599 -3.702 1.00 0.00 O ATOM 191 CB PRO A 17 1.095 5.502 -1.556 1.00 0.00 C ATOM 192 CG PRO A 17 2.521 5.026 -1.335 1.00 0.00 C ATOM 193 CD PRO A 17 2.460 3.632 -0.733 1.00 0.00 C ATOM 0 HA PRO A 17 -0.704 4.506 -0.891 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.982 5.954 -2.541 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.818 6.260 -0.823 1.00 0.00 H new ATOM 0 HG2 PRO A 17 3.069 5.011 -2.277 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.051 5.706 -0.669 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.024 2.917 -1.332 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.887 3.615 0.270 1.00 0.00 H new ATOM 198 N VAL A 18 -1.525 3.375 -2.826 1.00 0.00 N ATOM 199 CA VAL A 18 -2.101 2.833 -4.044 1.00 0.00 C ATOM 200 C VAL A 18 -2.631 3.979 -4.907 1.00 0.00 C ATOM 201 O VAL A 18 -3.575 4.668 -4.520 1.00 0.00 O ATOM 202 CB VAL A 18 -3.174 1.798 -3.700 1.00 0.00 C ATOM 203 CG1 VAL A 18 -3.988 1.419 -4.939 1.00 0.00 C ATOM 204 CG2 VAL A 18 -2.553 0.559 -3.051 1.00 0.00 C ATOM 0 H VAL A 18 -2.180 3.469 -2.050 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.341 2.312 -4.627 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.855 2.249 -2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.743 0.682 -4.667 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.476 2.308 -5.340 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.325 0.997 -5.695 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.337 -0.161 -2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.839 0.107 -3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.039 0.847 -2.134 1.00 0.00 H new ATOM 214 N LEU A 19 -2.003 4.150 -6.060 1.00 0.00 N ATOM 215 CA LEU A 19 -2.399 5.202 -6.982 1.00 0.00 C ATOM 216 C LEU A 19 -3.921 5.182 -7.145 1.00 0.00 C ATOM 217 O LEU A 19 -4.546 4.128 -7.050 1.00 0.00 O ATOM 218 CB LEU A 19 -1.637 5.074 -8.302 1.00 0.00 C ATOM 219 CG LEU A 19 -2.109 5.981 -9.440 1.00 0.00 C ATOM 220 CD1 LEU A 19 -1.377 7.325 -9.408 1.00 0.00 C ATOM 221 CD2 LEU A 19 -1.967 5.283 -10.793 1.00 0.00 C ATOM 0 H LEU A 19 -1.221 3.577 -6.378 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.132 6.180 -6.582 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.584 5.281 -8.112 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.703 4.039 -8.638 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.169 6.188 -9.295 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.730 7.951 -10.227 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.573 7.824 -8.459 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.305 7.158 -9.515 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.310 5.950 -11.584 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.921 5.026 -10.962 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.569 4.374 -10.799 1.00 0.00 H new ATOM 232 N ARG A 20 -4.472 6.363 -7.388 1.00 0.00 N ATOM 233 CA ARG A 20 -5.908 6.495 -7.566 1.00 0.00 C ATOM 234 C ARG A 20 -6.238 7.824 -8.249 1.00 0.00 C ATOM 235 O ARG A 20 -6.155 8.882 -7.629 1.00 0.00 O ATOM 236 CB ARG A 20 -6.638 6.424 -6.223 1.00 0.00 C ATOM 237 CG ARG A 20 -8.128 6.730 -6.392 1.00 0.00 C ATOM 238 CD ARG A 20 -8.939 6.173 -5.221 1.00 0.00 C ATOM 239 NE ARG A 20 -10.124 7.024 -4.975 1.00 0.00 N ATOM 240 CZ ARG A 20 -11.224 7.019 -5.740 1.00 0.00 C ATOM 241 NH1 ARG A 20 -11.296 6.208 -6.804 1.00 0.00 N ATOM 242 NH2 ARG A 20 -12.252 7.826 -5.441 1.00 0.00 N ATOM 0 H ARG A 20 -3.950 7.236 -7.466 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.242 5.668 -8.192 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.514 5.432 -5.789 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.194 7.134 -5.526 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.276 7.808 -6.461 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.488 6.298 -7.326 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.253 5.152 -5.439 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.319 6.132 -4.326 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.102 7.654 -4.173 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.514 5.595 -7.032 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.133 6.204 -7.386 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.197 8.444 -4.631 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.089 7.822 -6.023 1.00 0.00 H new ATOM 253 N ARG A 21 -6.606 7.725 -9.518 1.00 0.00 N ATOM 254 CA ARG A 21 -6.949 8.906 -10.292 1.00 0.00 C ATOM 255 C ARG A 21 -8.418 9.274 -10.076 1.00 0.00 C ATOM 256 O ARG A 21 -9.310 8.633 -10.630 1.00 0.00 O ATOM 257 CB ARG A 21 -6.702 8.677 -11.785 1.00 0.00 C ATOM 258 CG ARG A 21 -5.213 8.796 -12.118 1.00 0.00 C ATOM 259 CD ARG A 21 -5.008 9.146 -13.594 1.00 0.00 C ATOM 260 NE ARG A 21 -3.654 8.734 -14.028 1.00 0.00 N ATOM 261 CZ ARG A 21 -3.026 9.231 -15.101 1.00 0.00 C ATOM 262 NH1 ARG A 21 -3.625 10.162 -15.857 1.00 0.00 N ATOM 263 NH2 ARG A 21 -1.799 8.798 -15.420 1.00 0.00 N ATOM 0 H ARG A 21 -6.674 6.845 -10.030 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.312 9.722 -9.951 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.064 7.689 -12.070 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.268 9.404 -12.367 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.757 9.563 -11.492 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.709 7.857 -11.890 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.762 8.647 -14.203 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.136 10.218 -13.743 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.169 8.027 -13.475 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.559 10.492 -15.615 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.146 10.541 -16.674 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.343 8.089 -14.845 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.321 9.177 -16.238 1.00 0.00 H new ATOM 274 N ASN A 22 -8.625 10.305 -9.269 1.00 0.00 N ATOM 275 CA ASN A 22 -9.971 10.765 -8.973 1.00 0.00 C ATOM 276 C ASN A 22 -10.604 11.328 -10.247 1.00 0.00 C ATOM 277 O ASN A 22 -9.970 11.354 -11.301 1.00 0.00 O ATOM 278 CB ASN A 22 -9.954 11.876 -7.922 1.00 0.00 C ATOM 279 CG ASN A 22 -9.147 11.456 -6.692 1.00 0.00 C ATOM 280 OD1 ASN A 22 -9.635 10.790 -5.795 1.00 0.00 O ATOM 281 ND2 ASN A 22 -7.886 11.881 -6.702 1.00 0.00 N ATOM 0 H ASN A 22 -7.883 10.834 -8.811 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.542 9.918 -8.593 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.524 12.781 -8.351 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.975 12.117 -7.626 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.264 11.652 -5.926 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.541 12.436 -7.485 1.00 0.00 H new ATOM 287 N GLN A 23 -11.846 11.766 -10.108 1.00 0.00 N ATOM 288 CA GLN A 23 -12.573 12.327 -11.235 1.00 0.00 C ATOM 289 C GLN A 23 -11.745 13.425 -11.906 1.00 0.00 C ATOM 290 O GLN A 23 -11.599 13.440 -13.128 1.00 0.00 O ATOM 291 CB GLN A 23 -13.937 12.861 -10.797 1.00 0.00 C ATOM 292 CG GLN A 23 -15.029 11.808 -10.998 1.00 0.00 C ATOM 293 CD GLN A 23 -15.562 11.306 -9.654 1.00 0.00 C ATOM 294 OE1 GLN A 23 -14.905 11.384 -8.629 1.00 0.00 O ATOM 295 NE2 GLN A 23 -16.786 10.788 -9.717 1.00 0.00 N ATOM 0 H GLN A 23 -12.368 11.744 -9.232 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.747 11.533 -11.961 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.897 13.153 -9.748 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -14.181 13.757 -11.368 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -15.846 12.233 -11.581 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -14.630 10.971 -11.571 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -17.280 10.754 -10.609 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -17.230 10.425 -8.874 1.00 0.00 H new ATOM 302 N ASP A 24 -11.222 14.318 -11.078 1.00 0.00 N ATOM 303 CA ASP A 24 -10.413 15.416 -11.576 1.00 0.00 C ATOM 304 C ASP A 24 -9.228 14.855 -12.364 1.00 0.00 C ATOM 305 O ASP A 24 -8.649 15.547 -13.200 1.00 0.00 O ATOM 306 CB ASP A 24 -9.859 16.259 -10.425 1.00 0.00 C ATOM 307 CG ASP A 24 -10.804 17.346 -9.906 1.00 0.00 C ATOM 308 OD1 ASP A 24 -11.225 18.177 -10.740 1.00 0.00 O ATOM 309 OD2 ASP A 24 -11.083 17.320 -8.689 1.00 0.00 O ATOM 0 H ASP A 24 -11.343 14.303 -10.065 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.045 16.040 -12.208 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.604 15.596 -9.599 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.933 16.730 -10.753 1.00 0.00 H new ATOM 313 N ASN A 25 -8.901 13.605 -12.069 1.00 0.00 N ATOM 314 CA ASN A 25 -7.795 12.942 -12.738 1.00 0.00 C ATOM 315 C ASN A 25 -6.479 13.370 -12.086 1.00 0.00 C ATOM 316 O ASN A 25 -5.495 13.632 -12.776 1.00 0.00 O ATOM 317 CB ASN A 25 -7.736 13.328 -14.217 1.00 0.00 C ATOM 318 CG ASN A 25 -7.192 12.176 -15.064 1.00 0.00 C ATOM 319 OD1 ASN A 25 -7.245 11.017 -14.687 1.00 0.00 O ATOM 320 ND2 ASN A 25 -6.668 12.558 -16.225 1.00 0.00 N ATOM 0 H ASN A 25 -9.383 13.034 -11.375 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.945 11.866 -12.651 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.732 13.601 -14.565 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.103 14.206 -14.342 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.278 11.863 -16.862 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.656 13.546 -16.479 1.00 0.00 H new ATOM 326 N GLU A 26 -6.504 13.428 -10.762 1.00 0.00 N ATOM 327 CA GLU A 26 -5.324 13.820 -10.008 1.00 0.00 C ATOM 328 C GLU A 26 -4.656 12.589 -9.391 1.00 0.00 C ATOM 329 O GLU A 26 -4.968 12.209 -8.264 1.00 0.00 O ATOM 330 CB GLU A 26 -5.678 14.849 -8.933 1.00 0.00 C ATOM 331 CG GLU A 26 -6.210 16.139 -9.562 1.00 0.00 C ATOM 332 CD GLU A 26 -6.233 17.278 -8.540 1.00 0.00 C ATOM 333 OE1 GLU A 26 -5.128 17.709 -8.145 1.00 0.00 O ATOM 334 OE2 GLU A 26 -7.355 17.692 -8.178 1.00 0.00 O ATOM 0 H GLU A 26 -7.322 13.210 -10.192 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.617 14.288 -10.693 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.427 14.433 -8.259 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.796 15.070 -8.332 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.585 16.419 -10.410 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.215 15.972 -9.948 1.00 0.00 H new ATOM 339 N ASP A 27 -3.749 12.001 -10.156 1.00 0.00 N ATOM 340 CA ASP A 27 -3.035 10.822 -9.699 1.00 0.00 C ATOM 341 C ASP A 27 -2.626 11.013 -8.237 1.00 0.00 C ATOM 342 O ASP A 27 -1.611 11.645 -7.951 1.00 0.00 O ATOM 343 CB ASP A 27 -1.763 10.596 -10.519 1.00 0.00 C ATOM 344 CG ASP A 27 -1.996 10.132 -11.959 1.00 0.00 C ATOM 345 OD1 ASP A 27 -2.217 11.019 -12.812 1.00 0.00 O ATOM 346 OD2 ASP A 27 -1.947 8.903 -12.174 1.00 0.00 O ATOM 0 H ASP A 27 -3.492 12.320 -11.090 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.696 9.963 -9.813 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.193 11.525 -10.540 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.147 9.855 -10.009 1.00 0.00 H new ATOM 350 N GLU A 28 -3.439 10.456 -7.351 1.00 0.00 N ATOM 351 CA GLU A 28 -3.175 10.558 -5.926 1.00 0.00 C ATOM 352 C GLU A 28 -2.404 9.330 -5.441 1.00 0.00 C ATOM 353 O GLU A 28 -2.268 8.349 -6.170 1.00 0.00 O ATOM 354 CB GLU A 28 -4.475 10.735 -5.139 1.00 0.00 C ATOM 355 CG GLU A 28 -4.189 11.138 -3.690 1.00 0.00 C ATOM 356 CD GLU A 28 -5.345 11.955 -3.110 1.00 0.00 C ATOM 357 OE1 GLU A 28 -6.492 11.471 -3.216 1.00 0.00 O ATOM 358 OE2 GLU A 28 -5.055 13.045 -2.573 1.00 0.00 O ATOM 0 H GLU A 28 -4.281 9.933 -7.593 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.560 11.441 -5.752 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.093 11.496 -5.617 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.044 9.805 -5.156 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.030 10.245 -3.085 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.269 11.721 -3.646 1.00 0.00 H new ATOM 363 N TRP A 29 -1.918 9.424 -4.211 1.00 0.00 N ATOM 364 CA TRP A 29 -1.163 8.332 -3.619 1.00 0.00 C ATOM 365 C TRP A 29 -1.597 8.196 -2.158 1.00 0.00 C ATOM 366 O TRP A 29 -0.801 8.415 -1.248 1.00 0.00 O ATOM 367 CB TRP A 29 0.342 8.557 -3.777 1.00 0.00 C ATOM 368 CG TRP A 29 0.837 8.462 -5.222 1.00 0.00 C ATOM 369 CD1 TRP A 29 1.024 9.460 -6.097 1.00 0.00 C ATOM 370 CD2 TRP A 29 1.203 7.258 -5.928 1.00 0.00 C ATOM 371 NE1 TRP A 29 1.482 8.989 -7.310 1.00 0.00 N ATOM 372 CE2 TRP A 29 1.595 7.608 -7.204 1.00 0.00 C ATOM 373 CE3 TRP A 29 1.204 5.919 -5.503 1.00 0.00 C ATOM 374 CZ2 TRP A 29 2.015 6.674 -8.160 1.00 0.00 C ATOM 375 CZ3 TRP A 29 1.626 4.998 -6.469 1.00 0.00 C ATOM 376 CH2 TRP A 29 2.024 5.334 -7.758 1.00 0.00 C ATOM 0 H TRP A 29 -2.032 10.239 -3.609 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.372 7.394 -4.134 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.596 9.540 -3.381 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.874 7.823 -3.172 1.00 0.00 H new ATOM 0 HD1 TRP A 29 0.839 10.502 -5.880 1.00 0.00 H new ATOM 0 HE1 TRP A 29 1.698 9.551 -8.133 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.903 5.623 -4.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.316 6.972 -9.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.644 3.954 -6.194 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.339 4.564 -8.446 1.00 0.00 H new ATOM 386 N PRO A 30 -2.892 7.823 -1.976 1.00 0.00 N ATOM 387 CA PRO A 30 -3.442 7.654 -0.642 1.00 0.00 C ATOM 388 C PRO A 30 -2.942 6.356 -0.003 1.00 0.00 C ATOM 389 O PRO A 30 -2.588 5.411 -0.706 1.00 0.00 O ATOM 390 CB PRO A 30 -4.950 7.682 -0.830 1.00 0.00 C ATOM 391 CG PRO A 30 -5.190 7.399 -2.304 1.00 0.00 C ATOM 392 CD PRO A 30 -3.864 7.554 -3.031 1.00 0.00 C ATOM 0 HA PRO A 30 -3.126 8.439 0.045 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.436 6.933 -0.204 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.361 8.651 -0.546 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.584 6.392 -2.440 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.930 8.089 -2.709 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.608 6.651 -3.584 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.901 8.370 -3.753 1.00 0.00 H new ATOM 397 N LEU A 31 -2.930 6.352 1.321 1.00 0.00 N ATOM 398 CA LEU A 31 -2.480 5.185 2.062 1.00 0.00 C ATOM 399 C LEU A 31 -3.513 4.066 1.918 1.00 0.00 C ATOM 400 O LEU A 31 -4.702 4.280 2.150 1.00 0.00 O ATOM 401 CB LEU A 31 -2.175 5.558 3.515 1.00 0.00 C ATOM 402 CG LEU A 31 -1.071 4.747 4.197 1.00 0.00 C ATOM 403 CD1 LEU A 31 -1.524 3.308 4.448 1.00 0.00 C ATOM 404 CD2 LEU A 31 0.230 4.808 3.393 1.00 0.00 C ATOM 0 H LEU A 31 -3.225 7.138 1.901 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.543 4.810 1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.898 6.612 3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.090 5.450 4.097 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.869 5.195 5.170 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.721 2.753 4.933 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.404 3.311 5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.770 2.833 3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.998 4.224 3.899 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.061 4.400 2.396 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.558 5.844 3.310 1.00 0.00 H new ATOM 415 N ALA A 32 -3.022 2.896 1.538 1.00 0.00 N ATOM 416 CA ALA A 32 -3.888 1.743 1.361 1.00 0.00 C ATOM 417 C ALA A 32 -3.258 0.528 2.046 1.00 0.00 C ATOM 418 O ALA A 32 -2.036 0.394 2.078 1.00 0.00 O ATOM 419 CB ALA A 32 -4.129 1.510 -0.131 1.00 0.00 C ATOM 0 H ALA A 32 -2.035 2.722 1.348 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.859 1.917 1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.779 0.645 -0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.604 2.390 -0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.177 1.328 -0.629 1.00 0.00 H new ATOM 425 N GLU A 33 -4.121 -0.327 2.575 1.00 0.00 N ATOM 426 CA GLU A 33 -3.664 -1.525 3.257 1.00 0.00 C ATOM 427 C GLU A 33 -4.089 -2.773 2.478 1.00 0.00 C ATOM 428 O GLU A 33 -5.228 -2.869 2.026 1.00 0.00 O ATOM 429 CB GLU A 33 -4.187 -1.573 4.693 1.00 0.00 C ATOM 430 CG GLU A 33 -3.482 -2.666 5.499 1.00 0.00 C ATOM 431 CD GLU A 33 -4.330 -3.097 6.698 1.00 0.00 C ATOM 432 OE1 GLU A 33 -4.935 -2.196 7.318 1.00 0.00 O ATOM 433 OE2 GLU A 33 -4.352 -4.318 6.967 1.00 0.00 O ATOM 0 H GLU A 33 -5.134 -0.213 2.545 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.575 -1.500 3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.032 -0.606 5.172 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.261 -1.757 4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.287 -3.526 4.859 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.515 -2.301 5.845 1.00 0.00 H new ATOM 438 N ILE A 34 -3.148 -3.697 2.346 1.00 0.00 N ATOM 439 CA ILE A 34 -3.410 -4.934 1.630 1.00 0.00 C ATOM 440 C ILE A 34 -4.406 -5.779 2.428 1.00 0.00 C ATOM 441 O ILE A 34 -4.371 -5.789 3.657 1.00 0.00 O ATOM 442 CB ILE A 34 -2.101 -5.660 1.317 1.00 0.00 C ATOM 443 CG1 ILE A 34 -1.131 -4.743 0.567 1.00 0.00 C ATOM 444 CG2 ILE A 34 -2.363 -6.961 0.555 1.00 0.00 C ATOM 445 CD1 ILE A 34 -1.478 -4.678 -0.922 1.00 0.00 C ATOM 0 H ILE A 34 -2.204 -3.614 2.723 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.870 -4.725 0.664 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.627 -5.929 2.261 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.166 -3.742 0.996 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.111 -5.107 0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.415 -7.457 0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.990 -7.617 1.159 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.871 -6.737 -0.383 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.774 -4.020 -1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.418 -5.677 -1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.489 -4.290 -1.043 1.00 0.00 H new ATOM 456 N LEU A 35 -5.269 -6.467 1.696 1.00 0.00 N ATOM 457 CA LEU A 35 -6.272 -7.313 2.320 1.00 0.00 C ATOM 458 C LEU A 35 -6.150 -8.735 1.767 1.00 0.00 C ATOM 459 O LEU A 35 -6.080 -9.697 2.530 1.00 0.00 O ATOM 460 CB LEU A 35 -7.667 -6.705 2.151 1.00 0.00 C ATOM 461 CG LEU A 35 -7.808 -5.232 2.539 1.00 0.00 C ATOM 462 CD1 LEU A 35 -9.239 -4.739 2.310 1.00 0.00 C ATOM 463 CD2 LEU A 35 -7.345 -4.998 3.978 1.00 0.00 C ATOM 0 H LEU A 35 -5.295 -6.456 0.676 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.104 -7.373 3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.966 -6.816 1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.370 -7.286 2.748 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.157 -4.644 1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.312 -3.689 2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.498 -4.849 1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.928 -5.327 2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.456 -3.943 4.229 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.951 -5.598 4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.298 -5.286 4.075 1.00 0.00 H new ATOM 474 N SER A 36 -6.128 -8.822 0.446 1.00 0.00 N ATOM 475 CA SER A 36 -6.015 -10.110 -0.218 1.00 0.00 C ATOM 476 C SER A 36 -5.330 -9.941 -1.575 1.00 0.00 C ATOM 477 O SER A 36 -5.514 -8.927 -2.246 1.00 0.00 O ATOM 478 CB SER A 36 -7.389 -10.760 -0.394 1.00 0.00 C ATOM 479 OG SER A 36 -7.384 -12.131 -0.006 1.00 0.00 O ATOM 0 H SER A 36 -6.186 -8.021 -0.183 1.00 0.00 H new ATOM 0 HA SER A 36 -5.410 -10.766 0.408 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.125 -10.218 0.199 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.698 -10.679 -1.436 1.00 0.00 H new ATOM 0 HG SER A 36 -8.279 -12.510 -0.131 1.00 0.00 H new ATOM 484 N VAL A 37 -4.552 -10.951 -1.939 1.00 0.00 N ATOM 485 CA VAL A 37 -3.838 -10.927 -3.203 1.00 0.00 C ATOM 486 C VAL A 37 -4.444 -11.968 -4.146 1.00 0.00 C ATOM 487 O VAL A 37 -5.235 -12.808 -3.722 1.00 0.00 O ATOM 488 CB VAL A 37 -2.341 -11.137 -2.963 1.00 0.00 C ATOM 489 CG1 VAL A 37 -1.575 -11.186 -4.286 1.00 0.00 C ATOM 490 CG2 VAL A 37 -1.776 -10.055 -2.042 1.00 0.00 C ATOM 0 H VAL A 37 -4.401 -11.791 -1.380 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.943 -9.954 -3.682 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.213 -12.099 -2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.514 -11.336 -4.087 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.950 -12.010 -4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.714 -10.247 -4.822 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.711 -10.228 -1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.922 -9.076 -2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.291 -10.089 -1.082 1.00 0.00 H new ATOM 500 N LYS A 38 -4.050 -11.877 -5.408 1.00 0.00 N ATOM 501 CA LYS A 38 -4.545 -12.800 -6.414 1.00 0.00 C ATOM 502 C LYS A 38 -3.602 -12.790 -7.619 1.00 0.00 C ATOM 503 O LYS A 38 -2.566 -12.128 -7.594 1.00 0.00 O ATOM 504 CB LYS A 38 -5.998 -12.478 -6.769 1.00 0.00 C ATOM 505 CG LYS A 38 -6.720 -13.716 -7.305 1.00 0.00 C ATOM 506 CD LYS A 38 -7.137 -13.520 -8.764 1.00 0.00 C ATOM 507 CE LYS A 38 -8.645 -13.288 -8.877 1.00 0.00 C ATOM 508 NZ LYS A 38 -8.976 -11.879 -8.570 1.00 0.00 N ATOM 0 H LYS A 38 -3.394 -11.178 -5.756 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.554 -13.818 -6.024 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.517 -12.104 -5.887 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.026 -11.685 -7.516 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.068 -14.585 -7.223 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.601 -13.920 -6.696 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.602 -12.670 -9.188 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.856 -14.397 -9.347 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.983 -13.536 -9.883 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.173 -13.950 -8.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.781 -11.576 -9.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.226 -11.792 -7.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.154 -11.277 -8.775 1.00 0.00 H new ATOM 518 N ASP A 39 -3.993 -13.531 -8.644 1.00 0.00 N ATOM 519 CA ASP A 39 -3.196 -13.615 -9.856 1.00 0.00 C ATOM 520 C ASP A 39 -4.071 -14.118 -11.005 1.00 0.00 C ATOM 521 O ASP A 39 -4.618 -15.218 -10.938 1.00 0.00 O ATOM 522 CB ASP A 39 -2.034 -14.596 -9.683 1.00 0.00 C ATOM 523 CG ASP A 39 -1.504 -15.207 -10.982 1.00 0.00 C ATOM 524 OD1 ASP A 39 -0.767 -14.486 -11.689 1.00 0.00 O ATOM 525 OD2 ASP A 39 -1.849 -16.380 -11.238 1.00 0.00 O ATOM 0 H ASP A 39 -4.853 -14.080 -8.661 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.802 -12.621 -10.069 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.215 -14.081 -9.181 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.355 -15.403 -9.024 1.00 0.00 H new ATOM 529 N ILE A 40 -4.178 -13.288 -12.032 1.00 0.00 N ATOM 530 CA ILE A 40 -4.979 -13.635 -13.194 1.00 0.00 C ATOM 531 C ILE A 40 -4.092 -13.626 -14.441 1.00 0.00 C ATOM 532 O ILE A 40 -4.184 -12.718 -15.266 1.00 0.00 O ATOM 533 CB ILE A 40 -6.197 -12.716 -13.300 1.00 0.00 C ATOM 534 CG1 ILE A 40 -7.096 -12.853 -12.069 1.00 0.00 C ATOM 535 CG2 ILE A 40 -6.964 -12.968 -14.600 1.00 0.00 C ATOM 536 CD1 ILE A 40 -7.744 -11.514 -11.711 1.00 0.00 C ATOM 0 H ILE A 40 -3.724 -12.376 -12.084 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.378 -14.644 -13.093 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.845 -11.685 -13.329 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.870 -13.596 -12.261 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.509 -13.214 -11.224 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.825 -12.301 -14.650 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.310 -12.779 -15.451 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.305 -14.003 -14.627 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.377 -11.640 -10.833 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.967 -10.780 -11.496 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.349 -11.167 -12.549 1.00 0.00 H new ATOM 547 N SER A 41 -3.250 -14.645 -14.537 1.00 0.00 N ATOM 548 CA SER A 41 -2.347 -14.766 -15.670 1.00 0.00 C ATOM 549 C SER A 41 -1.233 -13.723 -15.563 1.00 0.00 C ATOM 550 O SER A 41 -1.014 -12.947 -16.491 1.00 0.00 O ATOM 551 CB SER A 41 -3.098 -14.606 -16.993 1.00 0.00 C ATOM 552 OG SER A 41 -2.722 -15.598 -17.943 1.00 0.00 O ATOM 0 H SER A 41 -3.174 -15.394 -13.849 1.00 0.00 H new ATOM 0 HA SER A 41 -1.907 -15.763 -15.652 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.171 -14.667 -16.811 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.900 -13.616 -17.405 1.00 0.00 H new ATOM 0 HG SER A 41 -3.225 -15.463 -18.773 1.00 0.00 H new ATOM 557 N GLY A 42 -0.559 -13.739 -14.422 1.00 0.00 N ATOM 558 CA GLY A 42 0.528 -12.804 -14.182 1.00 0.00 C ATOM 559 C GLY A 42 0.008 -11.511 -13.551 1.00 0.00 C ATOM 560 O GLY A 42 0.733 -10.838 -12.818 1.00 0.00 O ATOM 0 H GLY A 42 -0.744 -14.384 -13.654 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.268 -13.262 -13.525 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.032 -12.578 -15.122 1.00 0.00 H new ATOM 564 N ARG A 43 -1.243 -11.201 -13.857 1.00 0.00 N ATOM 565 CA ARG A 43 -1.867 -10.000 -13.328 1.00 0.00 C ATOM 566 C ARG A 43 -2.241 -10.199 -11.858 1.00 0.00 C ATOM 567 O ARG A 43 -3.375 -10.555 -11.545 1.00 0.00 O ATOM 568 CB ARG A 43 -3.124 -9.638 -14.122 1.00 0.00 C ATOM 569 CG ARG A 43 -3.429 -8.143 -14.014 1.00 0.00 C ATOM 570 CD ARG A 43 -4.457 -7.871 -12.913 1.00 0.00 C ATOM 571 NE ARG A 43 -5.517 -6.973 -13.423 1.00 0.00 N ATOM 572 CZ ARG A 43 -5.298 -5.728 -13.868 1.00 0.00 C ATOM 573 NH1 ARG A 43 -4.055 -5.227 -13.870 1.00 0.00 N ATOM 574 NH2 ARG A 43 -6.322 -4.985 -14.311 1.00 0.00 N ATOM 0 H ARG A 43 -1.842 -11.761 -14.465 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.147 -9.186 -13.416 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.988 -9.910 -15.169 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.972 -10.214 -13.750 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.511 -7.595 -13.802 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.807 -7.775 -14.968 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.896 -8.809 -12.573 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.968 -7.417 -12.051 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.475 -7.324 -13.437 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.276 -5.793 -13.533 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.888 -4.280 -14.209 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.268 -5.367 -14.309 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.156 -4.037 -14.650 1.00 0.00 H new ATOM 585 N LYS A 44 -1.264 -9.959 -10.995 1.00 0.00 N ATOM 586 CA LYS A 44 -1.476 -10.107 -9.565 1.00 0.00 C ATOM 587 C LYS A 44 -2.408 -8.998 -9.074 1.00 0.00 C ATOM 588 O LYS A 44 -2.155 -7.819 -9.313 1.00 0.00 O ATOM 589 CB LYS A 44 -0.136 -10.156 -8.827 1.00 0.00 C ATOM 590 CG LYS A 44 0.179 -11.577 -8.356 1.00 0.00 C ATOM 591 CD LYS A 44 0.387 -11.618 -6.841 1.00 0.00 C ATOM 592 CE LYS A 44 1.747 -11.032 -6.458 1.00 0.00 C ATOM 593 NZ LYS A 44 2.782 -12.090 -6.438 1.00 0.00 N ATOM 0 H LYS A 44 -0.324 -9.663 -11.259 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.968 -11.056 -9.349 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.658 -9.803 -9.484 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.164 -9.483 -7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.636 -12.245 -8.633 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.074 -11.941 -8.860 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.407 -11.058 -6.346 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.318 -12.647 -6.489 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.027 -10.255 -7.169 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.683 -10.560 -5.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.699 -11.674 -6.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.521 -12.818 -5.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.855 -12.522 -7.381 1.00 0.00 H new ATOM 603 N LEU A 45 -3.469 -9.417 -8.399 1.00 0.00 N ATOM 604 CA LEU A 45 -4.441 -8.473 -7.873 1.00 0.00 C ATOM 605 C LEU A 45 -4.252 -8.343 -6.360 1.00 0.00 C ATOM 606 O LEU A 45 -3.784 -9.275 -5.707 1.00 0.00 O ATOM 607 CB LEU A 45 -5.858 -8.878 -8.283 1.00 0.00 C ATOM 608 CG LEU A 45 -6.573 -7.932 -9.249 1.00 0.00 C ATOM 609 CD1 LEU A 45 -5.580 -7.282 -10.215 1.00 0.00 C ATOM 610 CD2 LEU A 45 -7.702 -8.653 -9.988 1.00 0.00 C ATOM 0 H LEU A 45 -3.677 -10.397 -8.204 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.281 -7.483 -8.301 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.814 -9.867 -8.740 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.463 -8.970 -7.381 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.029 -7.131 -8.667 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.114 -6.614 -10.891 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.842 -6.712 -9.650 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.075 -8.056 -10.793 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.194 -7.958 -10.668 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.290 -9.487 -10.557 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.427 -9.029 -9.266 1.00 0.00 H new ATOM 621 N PHE A 46 -4.626 -7.181 -5.847 1.00 0.00 N ATOM 622 CA PHE A 46 -4.504 -6.918 -4.423 1.00 0.00 C ATOM 623 C PHE A 46 -5.651 -6.033 -3.928 1.00 0.00 C ATOM 624 O PHE A 46 -5.793 -4.893 -4.367 1.00 0.00 O ATOM 625 CB PHE A 46 -3.180 -6.179 -4.216 1.00 0.00 C ATOM 626 CG PHE A 46 -1.987 -6.834 -4.915 1.00 0.00 C ATOM 627 CD1 PHE A 46 -1.754 -6.593 -6.233 1.00 0.00 C ATOM 628 CD2 PHE A 46 -1.159 -7.657 -4.217 1.00 0.00 C ATOM 629 CE1 PHE A 46 -0.646 -7.201 -6.881 1.00 0.00 C ATOM 630 CE2 PHE A 46 -0.051 -8.265 -4.865 1.00 0.00 C ATOM 631 CZ PHE A 46 0.182 -8.024 -6.183 1.00 0.00 C ATOM 0 H PHE A 46 -5.014 -6.411 -6.391 1.00 0.00 H new ATOM 0 HA PHE A 46 -4.538 -7.855 -3.868 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.285 -5.157 -4.580 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.973 -6.117 -3.148 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.411 -5.939 -6.787 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.344 -7.848 -3.170 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.461 -7.010 -7.928 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.606 -8.919 -4.311 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.025 -8.486 -6.676 1.00 0.00 H new ATOM 640 N TYR A 47 -6.439 -6.593 -3.021 1.00 0.00 N ATOM 641 CA TYR A 47 -7.568 -5.868 -2.463 1.00 0.00 C ATOM 642 C TYR A 47 -7.109 -4.887 -1.383 1.00 0.00 C ATOM 643 O TYR A 47 -7.012 -5.247 -0.212 1.00 0.00 O ATOM 644 CB TYR A 47 -8.471 -6.925 -1.824 1.00 0.00 C ATOM 645 CG TYR A 47 -9.913 -6.461 -1.606 1.00 0.00 C ATOM 646 CD1 TYR A 47 -10.596 -5.831 -2.625 1.00 0.00 C ATOM 647 CD2 TYR A 47 -10.530 -6.674 -0.390 1.00 0.00 C ATOM 648 CE1 TYR A 47 -11.953 -5.395 -2.420 1.00 0.00 C ATOM 649 CE2 TYR A 47 -11.886 -6.238 -0.185 1.00 0.00 C ATOM 650 CZ TYR A 47 -12.531 -5.620 -1.210 1.00 0.00 C ATOM 651 OH TYR A 47 -13.813 -5.208 -1.016 1.00 0.00 O ATOM 0 H TYR A 47 -6.318 -7.539 -2.659 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.077 -5.294 -3.237 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.477 -7.813 -2.456 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.046 -7.220 -0.865 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.113 -5.665 -3.577 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.995 -7.168 0.408 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.499 -4.900 -3.210 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.380 -6.398 0.762 1.00 0.00 H new ATOM 0 HH TYR A 47 -14.096 -5.436 -0.106 1.00 0.00 H new ATOM 660 N VAL A 48 -6.841 -3.663 -1.817 1.00 0.00 N ATOM 661 CA VAL A 48 -6.395 -2.627 -0.902 1.00 0.00 C ATOM 662 C VAL A 48 -7.597 -1.789 -0.462 1.00 0.00 C ATOM 663 O VAL A 48 -8.596 -1.709 -1.176 1.00 0.00 O ATOM 664 CB VAL A 48 -5.292 -1.791 -1.555 1.00 0.00 C ATOM 665 CG1 VAL A 48 -4.173 -2.686 -2.092 1.00 0.00 C ATOM 666 CG2 VAL A 48 -5.860 -0.900 -2.660 1.00 0.00 C ATOM 0 H VAL A 48 -6.924 -3.367 -2.789 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.962 -3.071 -0.006 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.865 -1.143 -0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.401 -2.068 -2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.739 -3.258 -1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.580 -3.371 -2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.055 -0.317 -3.107 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.326 -1.521 -3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.605 -0.226 -2.237 1.00 0.00 H new ATOM 676 N HIS A 49 -7.462 -1.187 0.710 1.00 0.00 N ATOM 677 CA HIS A 49 -8.525 -0.357 1.253 1.00 0.00 C ATOM 678 C HIS A 49 -7.948 0.985 1.706 1.00 0.00 C ATOM 679 O HIS A 49 -7.131 1.035 2.624 1.00 0.00 O ATOM 680 CB HIS A 49 -9.268 -1.091 2.371 1.00 0.00 C ATOM 681 CG HIS A 49 -10.163 -0.201 3.200 1.00 0.00 C ATOM 682 ND1 HIS A 49 -11.370 0.290 2.736 1.00 0.00 N ATOM 683 CD2 HIS A 49 -10.013 0.279 4.468 1.00 0.00 C ATOM 684 CE1 HIS A 49 -11.914 1.032 3.690 1.00 0.00 C ATOM 685 NE2 HIS A 49 -11.071 1.025 4.762 1.00 0.00 N ATOM 0 H HIS A 49 -6.633 -1.257 1.299 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.264 -0.152 0.478 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -9.870 -1.887 1.932 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.539 -1.567 3.026 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -9.176 0.085 5.122 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -12.859 1.551 3.629 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -11.228 1.513 5.644 1.00 0.00 H new ATOM 692 N TYR A 50 -8.396 2.039 1.041 1.00 0.00 N ATOM 693 CA TYR A 50 -7.935 3.379 1.363 1.00 0.00 C ATOM 694 C TYR A 50 -8.240 3.728 2.822 1.00 0.00 C ATOM 695 O TYR A 50 -9.367 3.555 3.282 1.00 0.00 O ATOM 696 CB TYR A 50 -8.718 4.326 0.451 1.00 0.00 C ATOM 697 CG TYR A 50 -8.530 4.049 -1.041 1.00 0.00 C ATOM 698 CD1 TYR A 50 -7.265 3.835 -1.549 1.00 0.00 C ATOM 699 CD2 TYR A 50 -9.625 4.015 -1.881 1.00 0.00 C ATOM 700 CE1 TYR A 50 -7.087 3.575 -2.954 1.00 0.00 C ATOM 701 CE2 TYR A 50 -9.447 3.755 -3.285 1.00 0.00 C ATOM 702 CZ TYR A 50 -8.187 3.547 -3.754 1.00 0.00 C ATOM 703 OH TYR A 50 -8.019 3.302 -5.080 1.00 0.00 O ATOM 0 H TYR A 50 -9.074 1.993 0.280 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.857 3.458 1.221 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.778 4.253 0.693 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.413 5.351 0.661 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.408 3.863 -0.892 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.615 4.184 -1.484 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.102 3.406 -3.364 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -10.296 3.726 -3.952 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.863 2.983 -5.463 1.00 0.00 H new ATOM 712 N ILE A 51 -7.214 4.211 3.508 1.00 0.00 N ATOM 713 CA ILE A 51 -7.358 4.584 4.904 1.00 0.00 C ATOM 714 C ILE A 51 -7.275 6.107 5.032 1.00 0.00 C ATOM 715 O ILE A 51 -7.011 6.629 6.114 1.00 0.00 O ATOM 716 CB ILE A 51 -6.338 3.839 5.767 1.00 0.00 C ATOM 717 CG1 ILE A 51 -4.973 3.785 5.077 1.00 0.00 C ATOM 718 CG2 ILE A 51 -6.848 2.446 6.139 1.00 0.00 C ATOM 719 CD1 ILE A 51 -4.805 2.478 4.298 1.00 0.00 C ATOM 0 H ILE A 51 -6.280 4.352 3.123 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.337 4.284 5.278 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.207 4.392 6.697 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.870 4.633 4.399 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.181 3.874 5.821 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.104 1.938 6.752 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.779 2.537 6.699 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.025 1.869 5.231 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.827 2.464 3.817 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.885 1.634 4.983 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.584 2.404 3.539 1.00 0.00 H new ATOM 730 N ASP A 52 -7.506 6.776 3.911 1.00 0.00 N ATOM 731 CA ASP A 52 -7.461 8.228 3.884 1.00 0.00 C ATOM 732 C ASP A 52 -8.741 8.762 3.240 1.00 0.00 C ATOM 733 O ASP A 52 -9.460 8.020 2.571 1.00 0.00 O ATOM 734 CB ASP A 52 -6.273 8.726 3.059 1.00 0.00 C ATOM 735 CG ASP A 52 -5.460 9.848 3.707 1.00 0.00 C ATOM 736 OD1 ASP A 52 -6.089 10.862 4.080 1.00 0.00 O ATOM 737 OD2 ASP A 52 -4.228 9.666 3.817 1.00 0.00 O ATOM 0 H ASP A 52 -7.725 6.339 3.016 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.361 8.582 4.910 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.609 7.884 2.861 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.641 9.075 2.094 1.00 0.00 H new ATOM 741 N PHE A 53 -8.988 10.044 3.463 1.00 0.00 N ATOM 742 CA PHE A 53 -10.170 10.686 2.911 1.00 0.00 C ATOM 743 C PHE A 53 -10.393 10.267 1.457 1.00 0.00 C ATOM 744 O PHE A 53 -9.476 10.334 0.640 1.00 0.00 O ATOM 745 CB PHE A 53 -9.924 12.195 2.964 1.00 0.00 C ATOM 746 CG PHE A 53 -10.842 12.942 3.933 1.00 0.00 C ATOM 747 CD1 PHE A 53 -12.170 12.651 3.973 1.00 0.00 C ATOM 748 CD2 PHE A 53 -10.330 13.898 4.755 1.00 0.00 C ATOM 749 CE1 PHE A 53 -13.022 13.344 4.873 1.00 0.00 C ATOM 750 CE2 PHE A 53 -11.183 14.591 5.655 1.00 0.00 C ATOM 751 CZ PHE A 53 -12.511 14.299 5.695 1.00 0.00 C ATOM 0 H PHE A 53 -8.390 10.656 4.018 1.00 0.00 H new ATOM 0 HA PHE A 53 -11.052 10.397 3.482 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -8.888 12.374 3.251 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -10.054 12.609 1.964 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -12.577 11.893 3.320 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -9.276 14.130 4.723 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -14.076 13.112 4.905 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -10.777 15.350 6.308 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.159 14.826 6.380 1.00 0.00 H new ATOM 760 N ASN A 54 -11.618 9.844 1.178 1.00 0.00 N ATOM 761 CA ASN A 54 -11.973 9.415 -0.163 1.00 0.00 C ATOM 762 C ASN A 54 -13.412 8.894 -0.163 1.00 0.00 C ATOM 763 O ASN A 54 -13.984 8.642 0.896 1.00 0.00 O ATOM 764 CB ASN A 54 -11.060 8.283 -0.639 1.00 0.00 C ATOM 765 CG ASN A 54 -10.409 8.631 -1.979 1.00 0.00 C ATOM 766 OD1 ASN A 54 -10.993 9.277 -2.834 1.00 0.00 O ATOM 767 ND2 ASN A 54 -9.169 8.168 -2.115 1.00 0.00 N ATOM 0 H ASN A 54 -12.376 9.790 1.858 1.00 0.00 H new ATOM 0 HA ASN A 54 -11.865 10.270 -0.830 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -10.288 8.096 0.107 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.637 7.363 -0.739 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -8.649 8.347 -2.974 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -8.738 7.634 -1.360 1.00 0.00 H new ATOM 773 N ARG A 55 -13.954 8.747 -1.362 1.00 0.00 N ATOM 774 CA ARG A 55 -15.315 8.261 -1.514 1.00 0.00 C ATOM 775 C ARG A 55 -15.326 6.732 -1.598 1.00 0.00 C ATOM 776 O ARG A 55 -15.752 6.058 -0.662 1.00 0.00 O ATOM 777 CB ARG A 55 -15.972 8.839 -2.769 1.00 0.00 C ATOM 778 CG ARG A 55 -17.041 9.870 -2.403 1.00 0.00 C ATOM 779 CD ARG A 55 -16.486 11.293 -2.495 1.00 0.00 C ATOM 780 NE ARG A 55 -16.722 12.012 -1.224 1.00 0.00 N ATOM 781 CZ ARG A 55 -17.936 12.277 -0.725 1.00 0.00 C ATOM 782 NH1 ARG A 55 -19.033 11.884 -1.387 1.00 0.00 N ATOM 783 NH2 ARG A 55 -18.054 12.935 0.437 1.00 0.00 N ATOM 0 H ARG A 55 -13.475 8.956 -2.238 1.00 0.00 H new ATOM 0 HA ARG A 55 -15.881 8.585 -0.641 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -15.214 9.304 -3.399 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -16.422 8.035 -3.352 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -17.896 9.765 -3.071 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -17.402 9.681 -1.392 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -15.418 11.262 -2.712 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -16.963 11.826 -3.318 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.909 12.326 -0.694 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -18.943 11.383 -2.271 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -19.958 12.086 -1.007 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -17.219 13.234 0.941 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -18.979 13.137 0.817 1.00 0.00 H new ATOM 794 N ARG A 56 -14.854 6.232 -2.730 1.00 0.00 N ATOM 795 CA ARG A 56 -14.804 4.796 -2.950 1.00 0.00 C ATOM 796 C ARG A 56 -13.816 4.145 -1.979 1.00 0.00 C ATOM 797 O ARG A 56 -12.750 4.695 -1.710 1.00 0.00 O ATOM 798 CB ARG A 56 -14.384 4.473 -4.385 1.00 0.00 C ATOM 799 CG ARG A 56 -14.993 3.148 -4.849 1.00 0.00 C ATOM 800 CD ARG A 56 -15.030 3.066 -6.376 1.00 0.00 C ATOM 801 NE ARG A 56 -15.106 1.652 -6.806 1.00 0.00 N ATOM 802 CZ ARG A 56 -16.241 0.941 -6.854 1.00 0.00 C ATOM 803 NH1 ARG A 56 -17.402 1.508 -6.499 1.00 0.00 N ATOM 804 NH2 ARG A 56 -16.215 -0.337 -7.256 1.00 0.00 N ATOM 0 H ARG A 56 -14.503 6.795 -3.505 1.00 0.00 H new ATOM 0 HA ARG A 56 -15.804 4.399 -2.778 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -14.701 5.276 -5.050 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -13.297 4.419 -4.446 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.411 2.317 -4.451 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -16.003 3.049 -4.451 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -15.890 3.617 -6.757 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -14.140 3.535 -6.795 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.240 1.190 -7.083 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -17.422 2.481 -6.192 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -18.266 0.967 -6.535 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.331 -0.769 -7.526 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -17.079 -0.878 -7.292 1.00 0.00 H new ATOM 815 N LEU A 57 -14.207 2.982 -1.480 1.00 0.00 N ATOM 816 CA LEU A 57 -13.370 2.249 -0.544 1.00 0.00 C ATOM 817 C LEU A 57 -13.436 0.755 -0.870 1.00 0.00 C ATOM 818 O LEU A 57 -14.419 0.283 -1.439 1.00 0.00 O ATOM 819 CB LEU A 57 -13.760 2.582 0.897 1.00 0.00 C ATOM 820 CG LEU A 57 -13.610 4.047 1.311 1.00 0.00 C ATOM 821 CD1 LEU A 57 -14.790 4.496 2.173 1.00 0.00 C ATOM 822 CD2 LEU A 57 -12.268 4.286 2.007 1.00 0.00 C ATOM 0 H LEU A 57 -15.092 2.529 -1.706 1.00 0.00 H new ATOM 0 HA LEU A 57 -12.328 2.552 -0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -14.798 2.287 1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -13.154 1.972 1.567 1.00 0.00 H new ATOM 0 HG LEU A 57 -13.618 4.659 0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -14.659 5.541 2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -15.716 4.386 1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -14.838 3.882 3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.187 5.335 2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.205 3.663 2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.455 4.030 1.327 1.00 0.00 H new ATOM 833 N ASP A 58 -12.375 0.054 -0.496 1.00 0.00 N ATOM 834 CA ASP A 58 -12.300 -1.376 -0.741 1.00 0.00 C ATOM 835 C ASP A 58 -12.459 -1.641 -2.239 1.00 0.00 C ATOM 836 O ASP A 58 -13.575 -1.657 -2.756 1.00 0.00 O ATOM 837 CB ASP A 58 -13.418 -2.120 -0.008 1.00 0.00 C ATOM 838 CG ASP A 58 -13.181 -2.330 1.490 1.00 0.00 C ATOM 839 OD1 ASP A 58 -12.572 -3.368 1.828 1.00 0.00 O ATOM 840 OD2 ASP A 58 -13.617 -1.449 2.261 1.00 0.00 O ATOM 0 H ASP A 58 -11.561 0.450 -0.026 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.334 -1.730 -0.380 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.349 -1.568 -0.139 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.556 -3.093 -0.479 1.00 0.00 H new ATOM 844 N GLU A 59 -11.325 -1.845 -2.896 1.00 0.00 N ATOM 845 CA GLU A 59 -11.325 -2.109 -4.324 1.00 0.00 C ATOM 846 C GLU A 59 -10.034 -2.822 -4.731 1.00 0.00 C ATOM 847 O GLU A 59 -8.993 -2.636 -4.103 1.00 0.00 O ATOM 848 CB GLU A 59 -11.512 -0.816 -5.121 1.00 0.00 C ATOM 849 CG GLU A 59 -10.271 0.073 -5.021 1.00 0.00 C ATOM 850 CD GLU A 59 -10.409 1.309 -5.913 1.00 0.00 C ATOM 851 OE1 GLU A 59 -11.529 1.863 -5.945 1.00 0.00 O ATOM 852 OE2 GLU A 59 -9.392 1.672 -6.543 1.00 0.00 O ATOM 0 H GLU A 59 -10.401 -1.833 -2.465 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.167 -2.763 -4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.710 -1.054 -6.166 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.382 -0.276 -4.747 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.123 0.382 -3.986 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.388 -0.495 -5.314 1.00 0.00 H new ATOM 857 N TRP A 60 -10.144 -3.623 -5.781 1.00 0.00 N ATOM 858 CA TRP A 60 -8.999 -4.365 -6.279 1.00 0.00 C ATOM 859 C TRP A 60 -8.113 -3.395 -7.065 1.00 0.00 C ATOM 860 O TRP A 60 -8.615 -2.555 -7.811 1.00 0.00 O ATOM 861 CB TRP A 60 -9.445 -5.571 -7.108 1.00 0.00 C ATOM 862 CG TRP A 60 -10.191 -6.637 -6.302 1.00 0.00 C ATOM 863 CD1 TRP A 60 -11.496 -6.681 -6.003 1.00 0.00 C ATOM 864 CD2 TRP A 60 -9.619 -7.818 -5.702 1.00 0.00 C ATOM 865 NE1 TRP A 60 -11.806 -7.800 -5.256 1.00 0.00 N ATOM 866 CE2 TRP A 60 -10.628 -8.514 -5.068 1.00 0.00 C ATOM 867 CE3 TRP A 60 -8.292 -8.284 -5.696 1.00 0.00 C ATOM 868 CZ2 TRP A 60 -10.417 -9.715 -4.380 1.00 0.00 C ATOM 869 CZ3 TRP A 60 -8.098 -9.486 -5.004 1.00 0.00 C ATOM 870 CH2 TRP A 60 -9.104 -10.198 -4.361 1.00 0.00 C ATOM 0 H TRP A 60 -11.009 -3.774 -6.300 1.00 0.00 H new ATOM 0 HA TRP A 60 -8.419 -4.778 -5.454 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -10.088 -5.225 -7.917 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -8.569 -6.026 -7.570 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -12.215 -5.935 -6.308 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -12.729 -8.056 -4.906 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -7.487 -7.757 -6.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -11.224 -10.240 -3.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -7.096 -9.888 -4.967 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -8.873 -11.120 -3.849 1.00 0.00 H new ATOM 880 N VAL A 61 -6.811 -3.544 -6.872 1.00 0.00 N ATOM 881 CA VAL A 61 -5.851 -2.692 -7.552 1.00 0.00 C ATOM 882 C VAL A 61 -4.796 -3.565 -8.236 1.00 0.00 C ATOM 883 O VAL A 61 -4.931 -4.787 -8.282 1.00 0.00 O ATOM 884 CB VAL A 61 -5.249 -1.689 -6.566 1.00 0.00 C ATOM 885 CG1 VAL A 61 -6.337 -0.809 -5.947 1.00 0.00 C ATOM 886 CG2 VAL A 61 -4.439 -2.404 -5.482 1.00 0.00 C ATOM 0 H VAL A 61 -6.398 -4.243 -6.254 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.343 -2.107 -8.329 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.569 -1.042 -7.120 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.883 -0.105 -5.250 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.852 -0.259 -6.735 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.053 -1.436 -5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.022 -1.668 -4.794 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.088 -3.086 -4.933 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.629 -2.967 -5.945 1.00 0.00 H new ATOM 896 N THR A 62 -3.768 -2.903 -8.748 1.00 0.00 N ATOM 897 CA THR A 62 -2.691 -3.603 -9.426 1.00 0.00 C ATOM 898 C THR A 62 -1.348 -3.283 -8.766 1.00 0.00 C ATOM 899 O THR A 62 -1.279 -2.448 -7.865 1.00 0.00 O ATOM 900 CB THR A 62 -2.743 -3.229 -10.909 1.00 0.00 C ATOM 901 OG1 THR A 62 -2.696 -1.805 -10.909 1.00 0.00 O ATOM 902 CG2 THR A 62 -4.095 -3.557 -11.547 1.00 0.00 C ATOM 0 H THR A 62 -3.659 -1.890 -8.707 1.00 0.00 H new ATOM 0 HA THR A 62 -2.809 -4.683 -9.344 1.00 0.00 H new ATOM 0 HB THR A 62 -1.951 -3.753 -11.444 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.961 -1.469 -11.791 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.079 -3.272 -12.599 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.287 -4.627 -11.463 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.883 -3.006 -11.034 1.00 0.00 H new ATOM 910 N HIS A 63 -0.314 -3.963 -9.241 1.00 0.00 N ATOM 911 CA HIS A 63 1.022 -3.761 -8.708 1.00 0.00 C ATOM 912 C HIS A 63 1.495 -2.342 -9.032 1.00 0.00 C ATOM 913 O HIS A 63 2.051 -1.659 -8.174 1.00 0.00 O ATOM 914 CB HIS A 63 1.980 -4.838 -9.223 1.00 0.00 C ATOM 915 CG HIS A 63 3.420 -4.390 -9.303 1.00 0.00 C ATOM 916 ND1 HIS A 63 4.144 -3.568 -8.491 1.00 0.00 N flip ATOM 917 CD2 HIS A 63 4.277 -4.796 -10.312 1.00 0.00 C flip ATOM 918 CE1 HIS A 63 5.377 -3.477 -8.976 1.00 0.00 C flip ATOM 919 NE2 HIS A 63 5.460 -4.238 -10.106 1.00 0.00 N flip ATOM 0 H HIS A 63 -0.375 -4.654 -9.989 1.00 0.00 H new ATOM 0 HA HIS A 63 1.004 -3.861 -7.623 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.917 -5.709 -8.570 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.654 -5.157 -10.213 1.00 0.00 H new ATOM 0 HD1 HIS A 63 3.797 -3.102 -7.653 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.024 -5.456 -11.129 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.181 -2.897 -8.547 1.00 0.00 H new ATOM 926 N GLU A 64 1.257 -1.942 -10.272 1.00 0.00 N ATOM 927 CA GLU A 64 1.651 -0.617 -10.719 1.00 0.00 C ATOM 928 C GLU A 64 1.253 0.433 -9.681 1.00 0.00 C ATOM 929 O GLU A 64 1.979 1.402 -9.464 1.00 0.00 O ATOM 930 CB GLU A 64 1.041 -0.296 -12.085 1.00 0.00 C ATOM 931 CG GLU A 64 -0.471 -0.527 -12.079 1.00 0.00 C ATOM 932 CD GLU A 64 -1.073 -0.253 -13.459 1.00 0.00 C ATOM 933 OE1 GLU A 64 -0.973 0.911 -13.903 1.00 0.00 O ATOM 934 OE2 GLU A 64 -1.620 -1.216 -14.040 1.00 0.00 O ATOM 0 H GLU A 64 0.796 -2.512 -10.981 1.00 0.00 H new ATOM 0 HA GLU A 64 2.735 -0.599 -10.828 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.253 0.741 -12.347 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.505 -0.919 -12.850 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.684 -1.554 -11.783 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.939 0.122 -11.339 1.00 0.00 H new ATOM 939 N ARG A 65 0.101 0.208 -9.068 1.00 0.00 N ATOM 940 CA ARG A 65 -0.401 1.123 -8.058 1.00 0.00 C ATOM 941 C ARG A 65 0.335 0.909 -6.734 1.00 0.00 C ATOM 942 O ARG A 65 0.520 1.850 -5.964 1.00 0.00 O ATOM 943 CB ARG A 65 -1.903 0.929 -7.836 1.00 0.00 C ATOM 944 CG ARG A 65 -2.716 1.834 -8.763 1.00 0.00 C ATOM 945 CD ARG A 65 -3.879 1.067 -9.396 1.00 0.00 C ATOM 946 NE ARG A 65 -4.981 1.999 -9.723 1.00 0.00 N ATOM 947 CZ ARG A 65 -6.111 1.636 -10.346 1.00 0.00 C ATOM 948 NH1 ARG A 65 -6.295 0.361 -10.713 1.00 0.00 N ATOM 949 NH2 ARG A 65 -7.057 2.550 -10.604 1.00 0.00 N ATOM 0 H ARG A 65 -0.500 -0.596 -9.252 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.226 2.138 -8.415 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.169 -0.113 -8.014 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.152 1.148 -6.798 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.100 2.685 -8.201 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.070 2.233 -9.545 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.542 0.559 -10.299 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.234 0.297 -8.711 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.874 2.978 -9.458 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.575 -0.335 -10.518 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.155 0.086 -11.187 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.917 3.521 -10.326 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.917 2.274 -11.078 1.00 0.00 H new ATOM 960 N LEU A 66 0.735 -0.334 -6.510 1.00 0.00 N ATOM 961 CA LEU A 66 1.447 -0.683 -5.293 1.00 0.00 C ATOM 962 C LEU A 66 2.844 -0.059 -5.326 1.00 0.00 C ATOM 963 O LEU A 66 3.665 -0.411 -6.172 1.00 0.00 O ATOM 964 CB LEU A 66 1.457 -2.200 -5.094 1.00 0.00 C ATOM 965 CG LEU A 66 0.086 -2.873 -5.003 1.00 0.00 C ATOM 966 CD1 LEU A 66 0.201 -4.383 -5.219 1.00 0.00 C ATOM 967 CD2 LEU A 66 -0.604 -2.535 -3.680 1.00 0.00 C ATOM 0 H LEU A 66 0.579 -1.112 -7.151 1.00 0.00 H new ATOM 0 HA LEU A 66 0.935 -0.273 -4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.007 -2.651 -5.920 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.011 -2.423 -4.182 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.541 -2.480 -5.803 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.788 -4.837 -5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.621 -4.578 -6.206 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.851 -4.811 -4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.576 -3.026 -3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.011 -2.882 -2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.739 -1.456 -3.605 1.00 0.00 H new ATOM 978 N ASP A 67 3.069 0.859 -4.398 1.00 0.00 N ATOM 979 CA ASP A 67 4.352 1.535 -4.311 1.00 0.00 C ATOM 980 C ASP A 67 5.165 0.934 -3.162 1.00 0.00 C ATOM 981 O ASP A 67 5.332 1.564 -2.120 1.00 0.00 O ATOM 982 CB ASP A 67 4.169 3.028 -4.030 1.00 0.00 C ATOM 983 CG ASP A 67 5.268 3.932 -4.595 1.00 0.00 C ATOM 984 OD1 ASP A 67 6.439 3.498 -4.550 1.00 0.00 O ATOM 985 OD2 ASP A 67 4.910 5.036 -5.060 1.00 0.00 O ATOM 0 H ASP A 67 2.385 1.151 -3.700 1.00 0.00 H new ATOM 0 HA ASP A 67 4.866 1.407 -5.264 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.211 3.345 -4.442 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.117 3.176 -2.951 1.00 0.00 H new ATOM 989 N LEU A 68 5.647 -0.278 -3.393 1.00 0.00 N ATOM 990 CA LEU A 68 6.439 -0.971 -2.389 1.00 0.00 C ATOM 991 C LEU A 68 7.557 -0.049 -1.901 1.00 0.00 C ATOM 992 O LEU A 68 8.097 -0.244 -0.813 1.00 0.00 O ATOM 993 CB LEU A 68 6.940 -2.310 -2.934 1.00 0.00 C ATOM 994 CG LEU A 68 5.950 -3.098 -3.795 1.00 0.00 C ATOM 995 CD1 LEU A 68 6.328 -4.579 -3.852 1.00 0.00 C ATOM 996 CD2 LEU A 68 4.514 -2.892 -3.306 1.00 0.00 C ATOM 0 H LEU A 68 5.505 -0.798 -4.259 1.00 0.00 H new ATOM 0 HA LEU A 68 5.826 -1.215 -1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.838 -2.126 -3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.235 -2.935 -2.091 1.00 0.00 H new ATOM 0 HG LEU A 68 6.003 -2.714 -4.814 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.608 -5.115 -4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.324 -4.684 -4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.322 -4.995 -2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.830 -3.463 -3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.429 -3.233 -2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.259 -1.834 -3.361 1.00 0.00 H new ATOM 1007 N LYS A 69 7.873 0.936 -2.729 1.00 0.00 N ATOM 1008 CA LYS A 69 8.917 1.890 -2.395 1.00 0.00 C ATOM 1009 C LYS A 69 8.483 2.709 -1.178 1.00 0.00 C ATOM 1010 O LYS A 69 9.282 3.452 -0.608 1.00 0.00 O ATOM 1011 CB LYS A 69 9.275 2.741 -3.614 1.00 0.00 C ATOM 1012 CG LYS A 69 9.311 1.891 -4.886 1.00 0.00 C ATOM 1013 CD LYS A 69 10.502 2.274 -5.767 1.00 0.00 C ATOM 1014 CE LYS A 69 10.033 2.785 -7.131 1.00 0.00 C ATOM 1015 NZ LYS A 69 10.935 2.305 -8.203 1.00 0.00 N ATOM 0 H LYS A 69 7.424 1.094 -3.631 1.00 0.00 H new ATOM 0 HA LYS A 69 9.834 1.370 -2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.546 3.543 -3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.246 3.213 -3.460 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.375 0.836 -4.621 1.00 0.00 H new ATOM 0 HG3 LYS A 69 8.384 2.024 -5.443 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.094 3.043 -5.270 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.152 1.409 -5.902 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.016 2.444 -7.324 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.009 3.875 -7.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.602 2.661 -9.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.900 2.651 -8.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.937 1.265 -8.215 1.00 0.00 H new ATOM 1025 N LYS A 70 7.220 2.546 -0.815 1.00 0.00 N ATOM 1026 CA LYS A 70 6.669 3.262 0.325 1.00 0.00 C ATOM 1027 C LYS A 70 5.841 2.298 1.175 1.00 0.00 C ATOM 1028 O LYS A 70 4.974 2.724 1.937 1.00 0.00 O ATOM 1029 CB LYS A 70 5.892 4.495 -0.142 1.00 0.00 C ATOM 1030 CG LYS A 70 6.827 5.691 -0.335 1.00 0.00 C ATOM 1031 CD LYS A 70 6.060 7.010 -0.219 1.00 0.00 C ATOM 1032 CE LYS A 70 6.839 8.155 -0.869 1.00 0.00 C ATOM 1033 NZ LYS A 70 6.524 8.242 -2.313 1.00 0.00 N ATOM 0 H LYS A 70 6.561 1.929 -1.290 1.00 0.00 H new ATOM 0 HA LYS A 70 7.469 3.640 0.961 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.380 4.274 -1.079 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.124 4.744 0.590 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.621 5.661 0.411 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.306 5.629 -1.312 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.085 6.911 -0.696 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.879 7.239 0.831 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.590 9.096 -0.379 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.909 7.998 -0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.061 9.024 -2.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.784 7.349 -2.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.506 8.414 -2.436 1.00 0.00 H new ATOM 1043 N ILE A 71 6.136 1.016 1.016 1.00 0.00 N ATOM 1044 CA ILE A 71 5.428 -0.012 1.760 1.00 0.00 C ATOM 1045 C ILE A 71 5.699 0.168 3.255 1.00 0.00 C ATOM 1046 O ILE A 71 6.607 0.903 3.642 1.00 0.00 O ATOM 1047 CB ILE A 71 5.792 -1.402 1.234 1.00 0.00 C ATOM 1048 CG1 ILE A 71 4.537 -2.189 0.851 1.00 0.00 C ATOM 1049 CG2 ILE A 71 6.660 -2.160 2.240 1.00 0.00 C ATOM 1050 CD1 ILE A 71 4.887 -3.632 0.482 1.00 0.00 C ATOM 0 H ILE A 71 6.855 0.666 0.383 1.00 0.00 H new ATOM 0 HA ILE A 71 4.352 0.087 1.615 1.00 0.00 H new ATOM 0 HB ILE A 71 6.384 -1.280 0.327 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.832 -2.183 1.682 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.042 -1.704 0.009 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.904 -3.145 1.841 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.580 -1.603 2.419 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.116 -2.273 3.178 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.978 -4.170 0.214 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.573 -3.635 -0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.360 -4.121 1.334 1.00 0.00 H new ATOM 1061 N GLN A 72 4.894 -0.514 4.057 1.00 0.00 N ATOM 1062 CA GLN A 72 5.035 -0.438 5.501 1.00 0.00 C ATOM 1063 C GLN A 72 4.512 -1.718 6.154 1.00 0.00 C ATOM 1064 O GLN A 72 3.556 -1.679 6.928 1.00 0.00 O ATOM 1065 CB GLN A 72 4.319 0.794 6.058 1.00 0.00 C ATOM 1066 CG GLN A 72 5.152 2.059 5.838 1.00 0.00 C ATOM 1067 CD GLN A 72 4.849 3.108 6.910 1.00 0.00 C ATOM 1068 OE1 GLN A 72 5.605 3.313 7.845 1.00 0.00 O ATOM 1069 NE2 GLN A 72 3.705 3.758 6.723 1.00 0.00 N ATOM 0 H GLN A 72 4.142 -1.122 3.734 1.00 0.00 H new ATOM 0 HA GLN A 72 6.094 -0.340 5.738 1.00 0.00 H new ATOM 0 HB2 GLN A 72 3.349 0.905 5.574 1.00 0.00 H new ATOM 0 HB3 GLN A 72 4.131 0.659 7.123 1.00 0.00 H new ATOM 0 HG2 GLN A 72 6.213 1.809 5.859 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.941 2.471 4.851 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.118 3.537 5.918 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.414 4.478 7.384 1.00 0.00 H new ATOM 1076 N PHE A 73 5.160 -2.824 5.818 1.00 0.00 N ATOM 1077 CA PHE A 73 4.772 -4.115 6.362 1.00 0.00 C ATOM 1078 C PHE A 73 4.324 -3.982 7.820 1.00 0.00 C ATOM 1079 O PHE A 73 4.751 -3.069 8.523 1.00 0.00 O ATOM 1080 CB PHE A 73 6.006 -5.016 6.300 1.00 0.00 C ATOM 1081 CG PHE A 73 6.225 -5.677 4.938 1.00 0.00 C ATOM 1082 CD1 PHE A 73 6.809 -4.978 3.928 1.00 0.00 C ATOM 1083 CD2 PHE A 73 5.837 -6.965 4.737 1.00 0.00 C ATOM 1084 CE1 PHE A 73 7.013 -5.592 2.664 1.00 0.00 C ATOM 1085 CE2 PHE A 73 6.040 -7.580 3.474 1.00 0.00 C ATOM 1086 CZ PHE A 73 6.624 -6.880 2.463 1.00 0.00 C ATOM 0 H PHE A 73 5.952 -2.853 5.175 1.00 0.00 H new ATOM 0 HA PHE A 73 3.940 -4.526 5.790 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.887 -4.426 6.552 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.915 -5.793 7.059 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.118 -3.955 4.087 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.374 -7.520 5.539 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.477 -5.037 1.862 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.731 -8.603 3.315 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.778 -7.347 1.502 1.00 0.00 H new ATOM 1095 N PRO A 74 3.446 -4.932 8.239 1.00 0.00 N ATOM 1096 CA PRO A 74 2.936 -4.932 9.599 1.00 0.00 C ATOM 1097 C PRO A 74 3.997 -5.428 10.583 1.00 0.00 C ATOM 1098 O PRO A 74 4.935 -6.120 10.193 1.00 0.00 O ATOM 1099 CB PRO A 74 1.702 -5.819 9.558 1.00 0.00 C ATOM 1100 CG PRO A 74 1.831 -6.653 8.293 1.00 0.00 C ATOM 1101 CD PRO A 74 2.918 -6.029 7.432 1.00 0.00 C ATOM 0 HA PRO A 74 2.680 -3.933 9.951 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.648 -6.455 10.442 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.791 -5.221 9.540 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.084 -7.684 8.540 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.884 -6.678 7.754 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.696 -6.753 7.190 1.00 0.00 H new ATOM 0 HD3 PRO A 74 2.515 -5.667 6.486 1.00 0.00 H new ATOM 1106 N LYS A 75 3.812 -5.054 11.841 1.00 0.00 N ATOM 1107 CA LYS A 75 4.742 -5.454 12.884 1.00 0.00 C ATOM 1108 C LYS A 75 4.322 -6.815 13.443 1.00 0.00 C ATOM 1109 O LYS A 75 3.134 -7.125 13.502 1.00 0.00 O ATOM 1110 CB LYS A 75 4.854 -4.360 13.949 1.00 0.00 C ATOM 1111 CG LYS A 75 5.855 -4.754 15.036 1.00 0.00 C ATOM 1112 CD LYS A 75 6.742 -3.568 15.420 1.00 0.00 C ATOM 1113 CE LYS A 75 7.298 -3.734 16.836 1.00 0.00 C ATOM 1114 NZ LYS A 75 6.741 -2.698 17.736 1.00 0.00 N ATOM 0 H LYS A 75 3.033 -4.479 12.161 1.00 0.00 H new ATOM 0 HA LYS A 75 5.745 -5.574 12.474 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.166 -3.425 13.484 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.876 -4.182 14.397 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.320 -5.112 15.915 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.476 -5.578 14.683 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.565 -3.480 14.711 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.167 -2.644 15.357 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.051 -4.725 17.216 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.385 -3.661 16.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.128 -2.825 18.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.998 -1.755 17.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.705 -2.786 17.767 1.00 0.00 H new ATOM 1124 N LYS A 76 5.321 -7.591 13.837 1.00 0.00 N ATOM 1125 CA LYS A 76 5.071 -8.911 14.388 1.00 0.00 C ATOM 1126 C LYS A 76 4.375 -9.776 13.334 1.00 0.00 C ATOM 1127 O LYS A 76 3.153 -9.907 13.342 1.00 0.00 O ATOM 1128 CB LYS A 76 4.298 -8.805 15.704 1.00 0.00 C ATOM 1129 CG LYS A 76 5.251 -8.791 16.900 1.00 0.00 C ATOM 1130 CD LYS A 76 5.141 -7.476 17.675 1.00 0.00 C ATOM 1131 CE LYS A 76 4.400 -7.680 18.997 1.00 0.00 C ATOM 1132 NZ LYS A 76 3.074 -7.023 18.956 1.00 0.00 N ATOM 0 H LYS A 76 6.306 -7.330 13.785 1.00 0.00 H new ATOM 0 HA LYS A 76 6.011 -9.404 14.636 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.696 -7.897 15.704 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.609 -9.645 15.794 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.022 -9.627 17.561 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.276 -8.929 16.555 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.138 -7.080 17.870 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.617 -6.736 17.070 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.278 -8.746 19.192 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.989 -7.271 19.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.585 -7.172 19.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.197 -6.003 18.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.508 -7.432 18.185 1.00 0.00 H new ATOM 1142 N GLU A 77 5.185 -10.341 12.451 1.00 0.00 N ATOM 1143 CA GLU A 77 4.662 -11.189 11.393 1.00 0.00 C ATOM 1144 C GLU A 77 5.201 -12.614 11.540 1.00 0.00 C ATOM 1145 O GLU A 77 6.075 -12.868 12.366 1.00 0.00 O ATOM 1146 CB GLU A 77 4.999 -10.616 10.014 1.00 0.00 C ATOM 1147 CG GLU A 77 6.511 -10.600 9.781 1.00 0.00 C ATOM 1148 CD GLU A 77 6.848 -10.997 8.342 1.00 0.00 C ATOM 1149 OE1 GLU A 77 6.907 -12.220 8.090 1.00 0.00 O ATOM 1150 OE2 GLU A 77 7.040 -10.068 7.528 1.00 0.00 O ATOM 0 H GLU A 77 6.199 -10.228 12.446 1.00 0.00 H new ATOM 0 HA GLU A 77 3.576 -11.220 11.482 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.515 -11.212 9.240 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.604 -9.604 9.931 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.904 -9.605 9.989 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.997 -11.286 10.475 1.00 0.00 H new ATOM 1155 N ALA A 78 4.655 -13.506 10.725 1.00 0.00 N ATOM 1156 CA ALA A 78 5.068 -14.898 10.754 1.00 0.00 C ATOM 1157 C ALA A 78 6.034 -15.163 9.597 1.00 0.00 C ATOM 1158 O ALA A 78 5.801 -14.716 8.475 1.00 0.00 O ATOM 1159 CB ALA A 78 3.833 -15.799 10.700 1.00 0.00 C ATOM 0 H ALA A 78 3.930 -13.291 10.041 1.00 0.00 H new ATOM 0 HA ALA A 78 5.595 -15.122 11.682 1.00 0.00 H new ATOM 0 HB1 ALA A 78 4.143 -16.844 10.722 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.194 -15.592 11.559 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.280 -15.604 9.781 1.00 0.00 H new ATOM 1165 N LYS A 79 7.097 -15.888 9.910 1.00 0.00 N ATOM 1166 CA LYS A 79 8.099 -16.218 8.911 1.00 0.00 C ATOM 1167 C LYS A 79 7.838 -17.629 8.379 1.00 0.00 C ATOM 1168 O LYS A 79 7.509 -18.534 9.145 1.00 0.00 O ATOM 1169 CB LYS A 79 9.507 -16.026 9.479 1.00 0.00 C ATOM 1170 CG LYS A 79 10.382 -15.223 8.515 1.00 0.00 C ATOM 1171 CD LYS A 79 11.724 -15.920 8.284 1.00 0.00 C ATOM 1172 CE LYS A 79 12.868 -14.905 8.239 1.00 0.00 C ATOM 1173 NZ LYS A 79 13.764 -15.082 9.405 1.00 0.00 N ATOM 0 H LYS A 79 7.287 -16.257 10.842 1.00 0.00 H new ATOM 0 HA LYS A 79 8.028 -15.538 8.062 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.449 -15.511 10.438 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.963 -16.998 9.666 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.864 -15.100 7.564 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.551 -14.224 8.918 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.905 -16.642 9.080 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.692 -16.479 7.349 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.434 -15.027 7.316 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.464 -13.893 8.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 14.535 -14.385 9.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.223 -14.943 10.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.164 -16.042 9.393 1.00 0.00 H new ATOM 1183 N THR A 80 7.995 -17.773 7.072 1.00 0.00 N ATOM 1184 CA THR A 80 7.781 -19.059 6.429 1.00 0.00 C ATOM 1185 C THR A 80 8.982 -19.977 6.659 1.00 0.00 C ATOM 1186 O THR A 80 10.082 -19.506 6.944 1.00 0.00 O ATOM 1187 CB THR A 80 7.486 -18.803 4.950 1.00 0.00 C ATOM 1188 OG1 THR A 80 8.647 -18.129 4.475 1.00 0.00 O ATOM 1189 CG2 THR A 80 6.356 -17.791 4.743 1.00 0.00 C ATOM 0 H THR A 80 8.268 -17.020 6.440 1.00 0.00 H new ATOM 0 HA THR A 80 6.927 -19.580 6.861 1.00 0.00 H new ATOM 0 HB THR A 80 7.223 -19.743 4.466 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.541 -17.927 3.522 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.188 -17.646 3.676 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.443 -18.165 5.207 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.631 -16.840 5.199 1.00 0.00 H new ATOM 1197 N PRO A 81 8.724 -21.306 6.524 1.00 0.00 N ATOM 1198 CA PRO A 81 9.771 -22.294 6.714 1.00 0.00 C ATOM 1199 C PRO A 81 10.723 -22.322 5.518 1.00 0.00 C ATOM 1200 O PRO A 81 10.284 -22.398 4.371 1.00 0.00 O ATOM 1201 CB PRO A 81 9.037 -23.610 6.920 1.00 0.00 C ATOM 1202 CG PRO A 81 7.634 -23.393 6.378 1.00 0.00 C ATOM 1203 CD PRO A 81 7.433 -21.899 6.188 1.00 0.00 C ATOM 0 HA PRO A 81 10.410 -22.071 7.569 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.538 -24.423 6.394 1.00 0.00 H new ATOM 0 HB3 PRO A 81 9.011 -23.882 7.975 1.00 0.00 H new ATOM 0 HG2 PRO A 81 7.505 -23.919 5.432 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.892 -23.793 7.069 1.00 0.00 H new ATOM 0 HD2 PRO A 81 7.145 -21.665 5.163 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.643 -21.520 6.836 1.00 0.00 H new ATOM 1208 N SER A 82 12.011 -22.259 5.824 1.00 0.00 N ATOM 1209 CA SER A 82 13.029 -22.276 4.788 1.00 0.00 C ATOM 1210 C SER A 82 14.418 -22.143 5.417 1.00 0.00 C ATOM 1211 O SER A 82 14.582 -21.464 6.428 1.00 0.00 O ATOM 1212 CB SER A 82 12.798 -21.157 3.771 1.00 0.00 C ATOM 1213 OG SER A 82 13.155 -21.554 2.449 1.00 0.00 O ATOM 0 H SER A 82 12.373 -22.196 6.776 1.00 0.00 H new ATOM 0 HA SER A 82 12.965 -23.228 4.261 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.749 -20.861 3.790 1.00 0.00 H new ATOM 0 HB3 SER A 82 13.381 -20.282 4.057 1.00 0.00 H new ATOM 0 HG SER A 82 12.991 -20.813 1.829 1.00 0.00 H new ATOM 1218 N GLY A 83 15.381 -22.802 4.790 1.00 0.00 N ATOM 1219 CA GLY A 83 16.750 -22.767 5.276 1.00 0.00 C ATOM 1220 C GLY A 83 17.689 -23.511 4.324 1.00 0.00 C ATOM 1221 O GLY A 83 17.253 -24.381 3.571 1.00 0.00 O ATOM 0 H GLY A 83 15.241 -23.363 3.950 1.00 0.00 H new ATOM 0 HA2 GLY A 83 17.077 -21.732 5.380 1.00 0.00 H new ATOM 0 HA3 GLY A 83 16.799 -23.218 6.267 1.00 0.00 H new ATOM 1225 N PRO A 84 18.993 -23.133 4.391 1.00 0.00 N ATOM 1226 CA PRO A 84 19.998 -23.755 3.545 1.00 0.00 C ATOM 1227 C PRO A 84 20.343 -25.159 4.045 1.00 0.00 C ATOM 1228 O PRO A 84 20.042 -25.507 5.185 1.00 0.00 O ATOM 1229 CB PRO A 84 21.183 -22.804 3.578 1.00 0.00 C ATOM 1230 CG PRO A 84 20.979 -21.926 4.800 1.00 0.00 C ATOM 1231 CD PRO A 84 19.545 -22.107 5.272 1.00 0.00 C ATOM 0 HA PRO A 84 19.653 -23.904 2.522 1.00 0.00 H new ATOM 0 HB2 PRO A 84 22.122 -23.353 3.644 1.00 0.00 H new ATOM 0 HB3 PRO A 84 21.228 -22.204 2.669 1.00 0.00 H new ATOM 0 HG2 PRO A 84 21.678 -22.202 5.589 1.00 0.00 H new ATOM 0 HG3 PRO A 84 21.171 -20.881 4.555 1.00 0.00 H new ATOM 0 HD2 PRO A 84 19.508 -22.419 6.316 1.00 0.00 H new ATOM 0 HD3 PRO A 84 18.983 -21.176 5.197 1.00 0.00 H new ATOM 1236 N SER A 85 20.970 -25.928 3.166 1.00 0.00 N ATOM 1237 CA SER A 85 21.360 -27.286 3.504 1.00 0.00 C ATOM 1238 C SER A 85 22.601 -27.689 2.706 1.00 0.00 C ATOM 1239 O SER A 85 22.827 -27.185 1.607 1.00 0.00 O ATOM 1240 CB SER A 85 20.216 -28.269 3.239 1.00 0.00 C ATOM 1241 OG SER A 85 20.503 -29.569 3.747 1.00 0.00 O ATOM 0 H SER A 85 21.217 -25.636 2.221 1.00 0.00 H new ATOM 0 HA SER A 85 21.594 -27.320 4.568 1.00 0.00 H new ATOM 0 HB2 SER A 85 19.301 -27.894 3.698 1.00 0.00 H new ATOM 0 HB3 SER A 85 20.032 -28.331 2.166 1.00 0.00 H new ATOM 0 HG SER A 85 19.749 -30.167 3.560 1.00 0.00 H new ATOM 1246 N SER A 86 23.374 -28.591 3.291 1.00 0.00 N ATOM 1247 CA SER A 86 24.587 -29.066 2.649 1.00 0.00 C ATOM 1248 C SER A 86 24.742 -30.573 2.872 1.00 0.00 C ATOM 1249 O SER A 86 24.179 -31.125 3.815 1.00 0.00 O ATOM 1250 CB SER A 86 25.816 -28.323 3.174 1.00 0.00 C ATOM 1251 OG SER A 86 27.029 -29.003 2.857 1.00 0.00 O ATOM 0 H SER A 86 23.184 -29.006 4.203 1.00 0.00 H new ATOM 0 HA SER A 86 24.507 -28.869 1.580 1.00 0.00 H new ATOM 0 HB2 SER A 86 25.842 -27.320 2.749 1.00 0.00 H new ATOM 0 HB3 SER A 86 25.736 -28.209 4.255 1.00 0.00 H new ATOM 0 HG SER A 86 27.790 -28.495 3.208 1.00 0.00 H new ATOM 1256 N GLY A 87 25.509 -31.194 1.988 1.00 0.00 N ATOM 1257 CA GLY A 87 25.745 -32.625 2.075 1.00 0.00 C ATOM 1258 C GLY A 87 27.197 -32.963 1.734 1.00 0.00 C ATOM 1259 O GLY A 87 27.468 -33.978 1.094 1.00 0.00 O ATOM 0 H GLY A 87 25.975 -30.732 1.207 1.00 0.00 H new ATOM 0 HA2 GLY A 87 25.513 -32.975 3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 87 25.076 -33.150 1.393 1.00 0.00 H new TER 1263 GLY A 87