USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 570 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 26 TYR OH : rot 20:sc= 0.533 USER MOD Set 1.2: A 49 SER OG : rot 92:sc= 1.75 USER MOD Set 2.1: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 14 SER OG : rot -122:sc= 1.28 USER MOD Set 3.2: A 16 SER OG : rot 180:sc= 0.987 USER MOD Single : A 3 LYS NZ :NH3+ 172:sc= 1.14 (180deg=1.09) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -18:sc= 1.17 USER MOD Single : A 18 ASN : amide:sc= -0.264! C(o=-0.26!,f=-9.6!) USER MOD Single : A 20 GLN : amide:sc=-0.00264 K(o=-0.0026,f=-0.93) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 178:sc= 1.14 (180deg=1.14) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0.0221 K(o=0.022,f=-5.5!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 173:sc= 1.23 (180deg=1.21) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc=-0.00413 X(o=-0.0041,f=-0.0015) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 60 LYS NZ :NH3+ -178:sc= 0.99 (180deg=0.988) USER MOD Single : A 64 TYR OH : rot -24:sc= 0.279 USER MOD Single : A 66 GLN : amide:sc= -0.0391 X(o=-0.039,f=-0.27) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N VAL A 2 -2.208 -13.069 -5.832 1.00 0.00 N ATOM 12 CA VAL A 2 -2.898 -11.977 -6.511 1.00 0.00 C ATOM 13 C VAL A 2 -2.391 -11.809 -7.937 1.00 0.00 C ATOM 14 O VAL A 2 -1.315 -12.295 -8.285 1.00 0.00 O ATOM 15 CB VAL A 2 -2.700 -10.659 -5.738 1.00 0.00 C ATOM 16 CG1 VAL A 2 -3.297 -10.764 -4.343 1.00 0.00 C ATOM 17 CG2 VAL A 2 -1.219 -10.318 -5.667 1.00 0.00 C ATOM 0 HA VAL A 2 -3.959 -12.224 -6.546 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.217 -9.858 -6.266 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.148 -9.824 -3.812 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.364 -10.973 -4.419 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.807 -11.571 -3.798 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.086 -9.385 -5.119 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.685 -11.119 -5.155 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.823 -10.206 -6.676 1.00 0.00 H new ATOM 27 N LYS A 3 -3.173 -11.118 -8.758 1.00 0.00 N ATOM 28 CA LYS A 3 -2.791 -10.859 -10.142 1.00 0.00 C ATOM 29 C LYS A 3 -1.601 -9.910 -10.217 1.00 0.00 C ATOM 30 O LYS A 3 -0.607 -10.198 -10.885 1.00 0.00 O ATOM 31 CB LYS A 3 -3.972 -10.281 -10.924 1.00 0.00 C ATOM 32 CG LYS A 3 -3.672 -9.981 -12.387 1.00 0.00 C ATOM 33 CD LYS A 3 -4.912 -9.484 -13.115 1.00 0.00 C ATOM 34 CE LYS A 3 -4.590 -9.082 -14.547 1.00 0.00 C ATOM 35 NZ LYS A 3 -5.795 -8.598 -15.273 1.00 0.00 N ATOM 0 H LYS A 3 -4.076 -10.727 -8.490 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.499 -11.809 -10.590 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.804 -10.983 -10.873 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.300 -9.362 -10.437 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.884 -9.231 -12.452 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.297 -10.880 -12.875 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.672 -10.265 -13.117 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.332 -8.631 -12.582 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.831 -8.300 -14.542 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.166 -9.935 -15.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.512 -8.209 -16.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.454 -9.390 -15.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.263 -7.857 -14.713 1.00 0.00 H new ATOM 49 N GLU A 4 -1.707 -8.778 -9.528 1.00 0.00 N ATOM 50 CA GLU A 4 -0.638 -7.788 -9.512 1.00 0.00 C ATOM 51 C GLU A 4 -0.114 -7.565 -8.100 1.00 0.00 C ATOM 52 O GLU A 4 -0.872 -7.617 -7.131 1.00 0.00 O ATOM 53 CB GLU A 4 -1.130 -6.463 -10.098 1.00 0.00 C ATOM 54 CG GLU A 4 -1.527 -6.535 -11.567 1.00 0.00 C ATOM 55 CD GLU A 4 -2.018 -5.219 -12.104 1.00 0.00 C ATOM 56 OE1 GLU A 4 -2.195 -4.311 -11.330 1.00 0.00 O ATOM 57 OE2 GLU A 4 -2.215 -5.123 -13.293 1.00 0.00 O ATOM 0 H GLU A 4 -2.524 -8.524 -8.973 1.00 0.00 H new ATOM 0 HA GLU A 4 0.178 -8.170 -10.125 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.987 -6.119 -9.519 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.346 -5.715 -9.982 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.670 -6.865 -12.154 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.307 -7.286 -11.691 1.00 0.00 H new ATOM 64 N THR A 5 1.186 -7.318 -7.987 1.00 0.00 N ATOM 65 CA THR A 5 1.826 -7.151 -6.689 1.00 0.00 C ATOM 66 C THR A 5 2.392 -5.746 -6.530 1.00 0.00 C ATOM 67 O THR A 5 3.103 -5.458 -5.566 1.00 0.00 O ATOM 68 CB THR A 5 2.947 -8.187 -6.486 1.00 0.00 C ATOM 69 OG1 THR A 5 3.934 -8.034 -7.515 1.00 0.00 O ATOM 70 CG2 THR A 5 2.384 -9.599 -6.533 1.00 0.00 C ATOM 0 H THR A 5 1.819 -7.229 -8.782 1.00 0.00 H new ATOM 0 HA THR A 5 1.060 -7.308 -5.929 1.00 0.00 H new ATOM 0 HB THR A 5 3.402 -8.022 -5.509 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.648 -8.693 -7.384 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.191 -10.317 -6.388 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.642 -9.721 -5.744 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.915 -9.772 -7.502 1.00 0.00 H new ATOM 78 N LYS A 6 2.074 -4.874 -7.480 1.00 0.00 N ATOM 79 CA LYS A 6 2.640 -3.531 -7.508 1.00 0.00 C ATOM 80 C LYS A 6 2.378 -2.795 -6.201 1.00 0.00 C ATOM 81 O LYS A 6 3.291 -2.218 -5.610 1.00 0.00 O ATOM 82 CB LYS A 6 2.071 -2.734 -8.684 1.00 0.00 C ATOM 83 CG LYS A 6 2.616 -1.318 -8.806 1.00 0.00 C ATOM 84 CD LYS A 6 2.065 -0.618 -10.040 1.00 0.00 C ATOM 85 CE LYS A 6 2.578 0.810 -10.143 1.00 0.00 C ATOM 86 NZ LYS A 6 2.087 1.491 -11.372 1.00 0.00 N ATOM 0 H LYS A 6 1.426 -5.074 -8.242 1.00 0.00 H new ATOM 0 HA LYS A 6 3.718 -3.627 -7.634 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.282 -3.272 -9.608 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.987 -2.686 -8.584 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.355 -0.748 -7.915 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.704 -1.348 -8.858 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.350 -1.174 -10.933 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.976 -0.613 -10.002 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.261 1.373 -9.265 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.668 0.805 -10.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.460 2.461 -11.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.410 0.969 -12.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.047 1.520 -11.361 1.00 0.00 H new ATOM 100 N LEU A 7 1.128 -2.818 -5.755 1.00 0.00 N ATOM 101 CA LEU A 7 0.722 -2.072 -4.570 1.00 0.00 C ATOM 102 C LEU A 7 1.256 -2.720 -3.299 1.00 0.00 C ATOM 103 O LEU A 7 1.524 -2.042 -2.309 1.00 0.00 O ATOM 104 CB LEU A 7 -0.807 -1.978 -4.500 1.00 0.00 C ATOM 105 CG LEU A 7 -1.481 -1.230 -5.658 1.00 0.00 C ATOM 106 CD1 LEU A 7 -2.981 -1.153 -5.408 1.00 0.00 C ATOM 107 CD2 LEU A 7 -0.877 0.162 -5.784 1.00 0.00 C ATOM 0 H LEU A 7 0.376 -3.347 -6.197 1.00 0.00 H new ATOM 0 HA LEU A 7 1.143 -1.070 -4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.213 -2.989 -4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.080 -1.486 -3.566 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.314 -1.764 -6.593 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.460 -0.622 -6.230 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.391 -2.161 -5.339 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.168 -0.621 -4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.356 0.693 -6.607 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.034 0.712 -4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.192 0.078 -5.979 1.00 0.00 H new ATOM 119 N TYR A 8 1.407 -4.040 -3.334 1.00 0.00 N ATOM 120 CA TYR A 8 1.966 -4.778 -2.208 1.00 0.00 C ATOM 121 C TYR A 8 3.461 -4.523 -2.069 1.00 0.00 C ATOM 122 O TYR A 8 3.999 -4.510 -0.962 1.00 0.00 O ATOM 123 CB TYR A 8 1.696 -6.276 -2.360 1.00 0.00 C ATOM 124 CG TYR A 8 0.234 -6.647 -2.241 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.472 -7.054 -3.364 1.00 0.00 C ATOM 126 CD2 TYR A 8 -0.399 -6.583 -1.009 1.00 0.00 C ATOM 127 CE1 TYR A 8 -1.807 -7.393 -3.255 1.00 0.00 C ATOM 128 CE2 TYR A 8 -1.734 -6.922 -0.899 1.00 0.00 C ATOM 129 CZ TYR A 8 -2.437 -7.327 -2.016 1.00 0.00 C ATOM 130 OH TYR A 8 -3.766 -7.665 -1.908 1.00 0.00 O ATOM 0 H TYR A 8 1.149 -4.621 -4.132 1.00 0.00 H new ATOM 0 HA TYR A 8 1.476 -4.423 -1.301 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.067 -6.606 -3.330 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.262 -6.817 -1.601 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.022 -7.106 -4.323 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.152 -6.268 -0.135 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.359 -7.708 -4.128 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.227 -6.870 0.060 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.182 -7.645 -2.795 1.00 0.00 H new ATOM 140 N ASP A 9 4.129 -4.320 -3.199 1.00 0.00 N ATOM 141 CA ASP A 9 5.549 -3.985 -3.201 1.00 0.00 C ATOM 142 C ASP A 9 5.782 -2.570 -2.690 1.00 0.00 C ATOM 143 O ASP A 9 6.769 -2.301 -2.005 1.00 0.00 O ATOM 144 CB ASP A 9 6.131 -4.129 -4.609 1.00 0.00 C ATOM 145 CG ASP A 9 6.255 -5.579 -5.055 1.00 0.00 C ATOM 146 OD1 ASP A 9 6.208 -6.445 -4.214 1.00 0.00 O ATOM 147 OD2 ASP A 9 6.397 -5.807 -6.234 1.00 0.00 O ATOM 0 H ASP A 9 3.710 -4.382 -4.127 1.00 0.00 H new ATOM 0 HA ASP A 9 6.054 -4.681 -2.531 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.499 -3.590 -5.315 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.114 -3.660 -4.640 1.00 0.00 H new ATOM 152 N LEU A 10 4.868 -1.666 -3.026 1.00 0.00 N ATOM 153 CA LEU A 10 4.928 -0.295 -2.535 1.00 0.00 C ATOM 154 C LEU A 10 4.825 -0.249 -1.017 1.00 0.00 C ATOM 155 O LEU A 10 5.553 0.495 -0.357 1.00 0.00 O ATOM 156 CB LEU A 10 3.802 0.541 -3.157 1.00 0.00 C ATOM 157 CG LEU A 10 3.971 0.887 -4.641 1.00 0.00 C ATOM 158 CD1 LEU A 10 2.701 1.549 -5.156 1.00 0.00 C ATOM 159 CD2 LEU A 10 5.174 1.802 -4.816 1.00 0.00 C ATOM 0 H LEU A 10 4.075 -1.859 -3.638 1.00 0.00 H new ATOM 0 HA LEU A 10 5.892 0.123 -2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.863 0.001 -3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.711 1.470 -2.594 1.00 0.00 H new ATOM 0 HG LEU A 10 4.144 -0.022 -5.218 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.821 1.795 -6.211 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.860 0.866 -5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.511 2.461 -4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.294 2.048 -5.871 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.021 2.718 -4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.071 1.297 -4.457 1.00 0.00 H new ATOM 171 N LEU A 11 3.918 -1.047 -0.465 1.00 0.00 N ATOM 172 CA LEU A 11 3.732 -1.113 0.979 1.00 0.00 C ATOM 173 C LEU A 11 4.802 -1.977 1.634 1.00 0.00 C ATOM 174 O LEU A 11 5.172 -1.756 2.787 1.00 0.00 O ATOM 175 CB LEU A 11 2.342 -1.672 1.309 1.00 0.00 C ATOM 176 CG LEU A 11 1.155 -0.797 0.887 1.00 0.00 C ATOM 177 CD1 LEU A 11 -0.148 -1.484 1.275 1.00 0.00 C ATOM 178 CD2 LEU A 11 1.270 0.569 1.548 1.00 0.00 C ATOM 0 H LEU A 11 3.299 -1.658 -0.997 1.00 0.00 H new ATOM 0 HA LEU A 11 3.819 -0.101 1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.240 -2.646 0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.283 -1.837 2.385 1.00 0.00 H new ATOM 0 HG LEU A 11 1.162 -0.658 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.991 -0.862 0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.213 -2.450 0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.173 -1.633 2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.426 1.191 1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.266 0.450 2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.200 1.046 1.239 1.00 0.00 H new ATOM 190 N GLY A 12 5.296 -2.962 0.892 1.00 0.00 N ATOM 191 CA GLY A 12 6.316 -3.869 1.403 1.00 0.00 C ATOM 192 C GLY A 12 5.699 -4.955 2.276 1.00 0.00 C ATOM 193 O GLY A 12 6.223 -5.282 3.340 1.00 0.00 O ATOM 0 H GLY A 12 5.006 -3.153 -0.067 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.849 -4.327 0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.050 -3.307 1.981 1.00 0.00 H new ATOM 197 N VAL A 13 4.582 -5.511 1.818 1.00 0.00 N ATOM 198 CA VAL A 13 3.827 -6.475 2.609 1.00 0.00 C ATOM 199 C VAL A 13 3.262 -7.586 1.733 1.00 0.00 C ATOM 200 O VAL A 13 2.838 -7.343 0.604 1.00 0.00 O ATOM 201 CB VAL A 13 2.672 -5.772 3.348 1.00 0.00 C ATOM 202 CG1 VAL A 13 1.719 -5.125 2.353 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.938 -6.769 4.230 1.00 0.00 C ATOM 0 H VAL A 13 4.180 -5.310 0.902 1.00 0.00 H new ATOM 0 HA VAL A 13 4.511 -6.916 3.334 1.00 0.00 H new ATOM 0 HB VAL A 13 3.083 -4.986 3.981 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.909 -4.633 2.892 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.259 -4.388 1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.305 -5.890 1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.123 -6.265 4.749 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.534 -7.572 3.613 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.630 -7.187 4.961 1.00 0.00 H new ATOM 213 N SER A 14 3.261 -8.805 2.259 1.00 0.00 N ATOM 214 CA SER A 14 2.824 -9.969 1.498 1.00 0.00 C ATOM 215 C SER A 14 1.358 -9.847 1.100 1.00 0.00 C ATOM 216 O SER A 14 0.524 -9.410 1.892 1.00 0.00 O ATOM 217 CB SER A 14 3.032 -11.233 2.309 1.00 0.00 C ATOM 218 OG SER A 14 2.486 -12.345 1.655 1.00 0.00 O ATOM 0 H SER A 14 3.559 -9.013 3.212 1.00 0.00 H new ATOM 0 HA SER A 14 3.424 -10.020 0.589 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.098 -11.391 2.475 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.570 -11.120 3.290 1.00 0.00 H new ATOM 0 HG SER A 14 1.822 -12.772 2.235 1.00 0.00 H new ATOM 224 N PRO A 15 1.052 -10.237 -0.133 1.00 0.00 N ATOM 225 CA PRO A 15 -0.327 -10.261 -0.608 1.00 0.00 C ATOM 226 C PRO A 15 -1.212 -11.093 0.310 1.00 0.00 C ATOM 227 O PRO A 15 -2.417 -10.860 0.405 1.00 0.00 O ATOM 228 CB PRO A 15 -0.202 -10.896 -1.998 1.00 0.00 C ATOM 229 CG PRO A 15 1.188 -10.565 -2.426 1.00 0.00 C ATOM 230 CD PRO A 15 2.005 -10.679 -1.166 1.00 0.00 C ATOM 0 HA PRO A 15 -0.792 -9.275 -0.631 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.361 -11.974 -1.960 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.940 -10.489 -2.690 1.00 0.00 H new ATOM 0 HG2 PRO A 15 1.542 -11.254 -3.193 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.246 -9.561 -2.848 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.347 -11.700 -0.994 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.892 -10.047 -1.198 1.00 0.00 H new ATOM 238 N SER A 16 -0.607 -12.063 0.987 1.00 0.00 N ATOM 239 CA SER A 16 -1.352 -12.985 1.837 1.00 0.00 C ATOM 240 C SER A 16 -1.869 -12.286 3.087 1.00 0.00 C ATOM 241 O SER A 16 -2.755 -12.796 3.774 1.00 0.00 O ATOM 242 CB SER A 16 -0.475 -14.159 2.228 1.00 0.00 C ATOM 243 OG SER A 16 0.562 -13.749 3.076 1.00 0.00 O ATOM 0 H SER A 16 0.399 -12.231 0.964 1.00 0.00 H new ATOM 0 HA SER A 16 -2.209 -13.348 1.270 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.078 -14.918 2.726 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.057 -14.620 1.333 1.00 0.00 H new ATOM 0 HG SER A 16 1.113 -14.523 3.316 1.00 0.00 H new ATOM 249 N ALA A 17 -1.310 -11.116 3.379 1.00 0.00 N ATOM 250 CA ALA A 17 -1.706 -10.350 4.555 1.00 0.00 C ATOM 251 C ALA A 17 -3.119 -9.801 4.404 1.00 0.00 C ATOM 252 O ALA A 17 -3.541 -9.437 3.306 1.00 0.00 O ATOM 253 CB ALA A 17 -0.723 -9.216 4.804 1.00 0.00 C ATOM 0 H ALA A 17 -0.581 -10.677 2.817 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.695 -11.022 5.413 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.032 -8.653 5.685 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.273 -9.627 4.967 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.705 -8.554 3.939 1.00 0.00 H new ATOM 259 N ASN A 18 -3.848 -9.746 5.513 1.00 0.00 N ATOM 260 CA ASN A 18 -5.198 -9.195 5.517 1.00 0.00 C ATOM 261 C ASN A 18 -5.174 -7.682 5.693 1.00 0.00 C ATOM 262 O ASN A 18 -4.117 -7.088 5.906 1.00 0.00 O ATOM 263 CB ASN A 18 -6.038 -9.845 6.601 1.00 0.00 C ATOM 264 CG ASN A 18 -5.556 -9.511 7.984 1.00 0.00 C ATOM 265 OD1 ASN A 18 -4.828 -8.531 8.183 1.00 0.00 O ATOM 266 ND2 ASN A 18 -5.946 -10.308 8.947 1.00 0.00 N ATOM 0 H ASN A 18 -3.526 -10.077 6.422 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.652 -9.414 4.550 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.074 -9.524 6.494 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.024 -10.927 6.467 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.649 -10.132 9.907 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.547 -11.105 8.737 1.00 0.00 H new ATOM 273 N GLU A 19 -6.347 -7.062 5.604 1.00 0.00 N ATOM 274 CA GLU A 19 -6.443 -5.608 5.560 1.00 0.00 C ATOM 275 C GLU A 19 -5.810 -4.977 6.794 1.00 0.00 C ATOM 276 O GLU A 19 -5.257 -3.879 6.727 1.00 0.00 O ATOM 277 CB GLU A 19 -7.905 -5.173 5.447 1.00 0.00 C ATOM 278 CG GLU A 19 -8.573 -5.547 4.130 1.00 0.00 C ATOM 279 CD GLU A 19 -9.095 -6.956 4.117 1.00 0.00 C ATOM 280 OE1 GLU A 19 -8.902 -7.649 5.087 1.00 0.00 O ATOM 281 OE2 GLU A 19 -9.685 -7.340 3.136 1.00 0.00 O ATOM 0 H GLU A 19 -7.244 -7.545 5.561 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.898 -5.265 4.680 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.469 -5.620 6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.961 -4.092 5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.396 -4.859 3.938 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.857 -5.423 3.317 1.00 0.00 H new ATOM 288 N GLN A 20 -5.896 -5.677 7.921 1.00 0.00 N ATOM 289 CA GLN A 20 -5.330 -5.188 9.172 1.00 0.00 C ATOM 290 C GLN A 20 -3.807 -5.178 9.121 1.00 0.00 C ATOM 291 O GLN A 20 -3.169 -4.213 9.539 1.00 0.00 O ATOM 292 CB GLN A 20 -5.807 -6.044 10.347 1.00 0.00 C ATOM 293 CG GLN A 20 -7.287 -5.897 10.663 1.00 0.00 C ATOM 294 CD GLN A 20 -7.739 -6.839 11.763 1.00 0.00 C ATOM 295 OE1 GLN A 20 -7.141 -7.897 11.980 1.00 0.00 O ATOM 296 NE2 GLN A 20 -8.801 -6.461 12.465 1.00 0.00 N ATOM 0 H GLN A 20 -6.353 -6.586 7.993 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.675 -4.164 9.315 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.595 -7.091 10.129 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.230 -5.780 11.233 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.492 -4.869 10.962 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.869 -6.089 9.762 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.265 -5.578 12.252 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.152 -7.054 13.217 1.00 0.00 H new ATOM 305 N GLU A 21 -3.232 -6.260 8.605 1.00 0.00 N ATOM 306 CA GLU A 21 -1.782 -6.366 8.472 1.00 0.00 C ATOM 307 C GLU A 21 -1.267 -5.493 7.335 1.00 0.00 C ATOM 308 O GLU A 21 -0.147 -4.986 7.388 1.00 0.00 O ATOM 309 CB GLU A 21 -1.375 -7.823 8.236 1.00 0.00 C ATOM 310 CG GLU A 21 -1.612 -8.742 9.425 1.00 0.00 C ATOM 311 CD GLU A 21 -0.818 -8.344 10.639 1.00 0.00 C ATOM 312 OE1 GLU A 21 0.359 -8.110 10.505 1.00 0.00 O ATOM 313 OE2 GLU A 21 -1.391 -8.276 11.701 1.00 0.00 O ATOM 0 H GLU A 21 -3.747 -7.075 8.272 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.335 -6.015 9.402 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.928 -8.208 7.379 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.318 -7.854 7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.673 -8.739 9.674 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.353 -9.763 9.146 1.00 0.00 H new ATOM 320 N LEU A 22 -2.092 -5.321 6.308 1.00 0.00 N ATOM 321 CA LEU A 22 -1.764 -4.429 5.203 1.00 0.00 C ATOM 322 C LEU A 22 -1.702 -2.978 5.666 1.00 0.00 C ATOM 323 O LEU A 22 -0.866 -2.203 5.200 1.00 0.00 O ATOM 324 CB LEU A 22 -2.800 -4.570 4.081 1.00 0.00 C ATOM 325 CG LEU A 22 -2.807 -5.919 3.351 1.00 0.00 C ATOM 326 CD1 LEU A 22 -3.994 -5.974 2.397 1.00 0.00 C ATOM 327 CD2 LEU A 22 -1.495 -6.100 2.602 1.00 0.00 C ATOM 0 H LEU A 22 -2.994 -5.789 6.218 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.781 -4.712 4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.791 -4.400 4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.626 -3.782 3.349 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.906 -6.731 4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.999 -6.932 1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.920 -5.862 2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.913 -5.167 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.501 -7.059 2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.377 -5.296 1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.666 -6.075 3.309 1.00 0.00 H new ATOM 339 N LYS A 23 -2.592 -2.616 6.583 1.00 0.00 N ATOM 340 CA LYS A 23 -2.543 -1.307 7.223 1.00 0.00 C ATOM 341 C LYS A 23 -1.230 -1.105 7.967 1.00 0.00 C ATOM 342 O LYS A 23 -0.609 -0.047 7.874 1.00 0.00 O ATOM 343 CB LYS A 23 -3.724 -1.136 8.181 1.00 0.00 C ATOM 344 CG LYS A 23 -3.766 0.210 8.893 1.00 0.00 C ATOM 345 CD LYS A 23 -5.006 0.336 9.764 1.00 0.00 C ATOM 346 CE LYS A 23 -5.042 1.672 10.489 1.00 0.00 C ATOM 347 NZ LYS A 23 -6.250 1.809 11.346 1.00 0.00 N ATOM 0 H LYS A 23 -3.357 -3.211 6.900 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.609 -0.551 6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.651 -1.267 7.623 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.687 -1.928 8.929 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.874 0.326 9.508 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.753 1.014 8.157 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.898 0.231 9.147 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.025 -0.475 10.492 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.148 1.775 11.104 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.022 2.481 9.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.235 2.734 11.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.104 1.737 10.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.257 1.053 12.060 1.00 0.00 H new ATOM 361 N LYS A 24 -0.813 -2.127 8.706 1.00 0.00 N ATOM 362 CA LYS A 24 0.459 -2.087 9.419 1.00 0.00 C ATOM 363 C LYS A 24 1.621 -1.850 8.462 1.00 0.00 C ATOM 364 O LYS A 24 2.541 -1.093 8.764 1.00 0.00 O ATOM 365 CB LYS A 24 0.677 -3.385 10.201 1.00 0.00 C ATOM 366 CG LYS A 24 -0.257 -3.568 11.388 1.00 0.00 C ATOM 367 CD LYS A 24 -0.025 -4.907 12.073 1.00 0.00 C ATOM 368 CE LYS A 24 -1.020 -5.134 13.200 1.00 0.00 C ATOM 369 NZ LYS A 24 -0.860 -6.475 13.825 1.00 0.00 N ATOM 0 H LYS A 24 -1.337 -2.994 8.827 1.00 0.00 H new ATOM 0 HA LYS A 24 0.421 -1.254 10.121 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.552 -4.229 9.523 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.707 -3.412 10.557 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.103 -2.760 12.103 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.292 -3.503 11.052 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.111 -5.711 11.342 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.990 -4.944 12.469 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.890 -4.363 13.959 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.034 -5.033 12.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.535 -6.575 14.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.043 -7.213 13.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.110 -6.576 14.187 1.00 0.00 H new ATOM 383 N GLY A 25 1.571 -2.504 7.306 1.00 0.00 N ATOM 384 CA GLY A 25 2.572 -2.299 6.268 1.00 0.00 C ATOM 385 C GLY A 25 2.618 -0.843 5.826 1.00 0.00 C ATOM 386 O GLY A 25 3.693 -0.262 5.679 1.00 0.00 O ATOM 0 H GLY A 25 0.847 -3.181 7.065 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.552 -2.600 6.640 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.347 -2.935 5.412 1.00 0.00 H new ATOM 390 N TYR A 26 1.445 -0.256 5.615 1.00 0.00 N ATOM 391 CA TYR A 26 1.347 1.153 5.251 1.00 0.00 C ATOM 392 C TYR A 26 1.950 2.044 6.329 1.00 0.00 C ATOM 393 O TYR A 26 2.730 2.950 6.035 1.00 0.00 O ATOM 394 CB TYR A 26 -0.112 1.540 4.996 1.00 0.00 C ATOM 395 CG TYR A 26 -0.321 3.022 4.779 1.00 0.00 C ATOM 396 CD1 TYR A 26 0.246 3.647 3.679 1.00 0.00 C ATOM 397 CD2 TYR A 26 -1.079 3.755 5.680 1.00 0.00 C ATOM 398 CE1 TYR A 26 0.055 5.001 3.478 1.00 0.00 C ATOM 399 CE2 TYR A 26 -1.270 5.108 5.480 1.00 0.00 C ATOM 400 CZ TYR A 26 -0.706 5.732 4.385 1.00 0.00 C ATOM 401 OH TYR A 26 -0.897 7.079 4.187 1.00 0.00 O ATOM 0 H TYR A 26 0.547 -0.735 5.690 1.00 0.00 H new ATOM 0 HA TYR A 26 1.916 1.302 4.333 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.474 1.000 4.121 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.717 1.217 5.843 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.837 3.076 2.979 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.520 3.268 6.537 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.494 5.489 2.621 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.861 5.679 6.181 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.730 7.298 3.247 1.00 0.00 H new ATOM 411 N ARG A 27 1.583 1.781 7.579 1.00 0.00 N ATOM 412 CA ARG A 27 2.056 2.584 8.700 1.00 0.00 C ATOM 413 C ARG A 27 3.578 2.610 8.755 1.00 0.00 C ATOM 414 O ARG A 27 4.181 3.655 9.002 1.00 0.00 O ATOM 415 CB ARG A 27 1.514 2.040 10.014 1.00 0.00 C ATOM 416 CG ARG A 27 0.022 2.244 10.224 1.00 0.00 C ATOM 417 CD ARG A 27 -0.454 1.585 11.467 1.00 0.00 C ATOM 418 NE ARG A 27 0.098 2.211 12.657 1.00 0.00 N ATOM 419 CZ ARG A 27 0.037 1.684 13.896 1.00 0.00 C ATOM 420 NH1 ARG A 27 -0.549 0.524 14.090 1.00 0.00 N ATOM 421 NH2 ARG A 27 0.572 2.333 14.916 1.00 0.00 N ATOM 0 H ARG A 27 0.959 1.018 7.841 1.00 0.00 H new ATOM 0 HA ARG A 27 1.692 3.601 8.551 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.731 0.973 10.066 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.050 2.515 10.836 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.196 3.311 10.272 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.524 1.845 9.369 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.542 1.627 11.506 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.176 0.531 11.449 1.00 0.00 H new ATOM 0 HE ARG A 27 0.564 3.112 12.547 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.958 0.021 13.302 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.595 0.126 15.028 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.030 3.232 14.765 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.526 1.935 15.854 1.00 0.00 H new ATOM 435 N LYS A 28 4.195 1.457 8.524 1.00 0.00 N ATOM 436 CA LYS A 28 5.648 1.355 8.500 1.00 0.00 C ATOM 437 C LYS A 28 6.236 2.145 7.336 1.00 0.00 C ATOM 438 O LYS A 28 7.203 2.889 7.504 1.00 0.00 O ATOM 439 CB LYS A 28 6.082 -0.109 8.413 1.00 0.00 C ATOM 440 CG LYS A 28 5.823 -0.916 9.678 1.00 0.00 C ATOM 441 CD LYS A 28 6.242 -2.368 9.502 1.00 0.00 C ATOM 442 CE LYS A 28 5.962 -3.183 10.755 1.00 0.00 C ATOM 443 NZ LYS A 28 6.347 -4.611 10.591 1.00 0.00 N ATOM 0 H LYS A 28 3.709 0.577 8.350 1.00 0.00 H new ATOM 0 HA LYS A 28 6.027 1.781 9.429 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.560 -0.582 7.581 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.147 -0.147 8.184 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.370 -0.476 10.511 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.764 -0.869 9.932 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.708 -2.802 8.657 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.305 -2.415 9.266 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.509 -2.755 11.595 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.902 -3.119 10.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.139 -5.130 11.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.807 -5.028 9.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.364 -4.675 10.384 1.00 0.00 H new ATOM 457 N ALA A 29 5.647 1.979 6.157 1.00 0.00 N ATOM 458 CA ALA A 29 6.098 2.690 4.968 1.00 0.00 C ATOM 459 C ALA A 29 5.842 4.187 5.091 1.00 0.00 C ATOM 460 O ALA A 29 6.624 5.002 4.600 1.00 0.00 O ATOM 461 CB ALA A 29 5.414 2.136 3.727 1.00 0.00 C ATOM 0 H ALA A 29 4.854 1.357 6.000 1.00 0.00 H new ATOM 0 HA ALA A 29 7.173 2.539 4.874 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.762 2.678 2.847 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.655 1.078 3.620 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.335 2.254 3.823 1.00 0.00 H new ATOM 467 N ALA A 30 4.744 4.542 5.747 1.00 0.00 N ATOM 468 CA ALA A 30 4.380 5.942 5.932 1.00 0.00 C ATOM 469 C ALA A 30 5.432 6.680 6.749 1.00 0.00 C ATOM 470 O ALA A 30 5.768 7.827 6.454 1.00 0.00 O ATOM 471 CB ALA A 30 3.017 6.051 6.600 1.00 0.00 C ATOM 0 H ALA A 30 4.089 3.879 6.161 1.00 0.00 H new ATOM 0 HA ALA A 30 4.328 6.410 4.949 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.759 7.102 6.731 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.266 5.568 5.975 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.048 5.561 7.573 1.00 0.00 H new ATOM 477 N LEU A 31 5.948 6.017 7.778 1.00 0.00 N ATOM 478 CA LEU A 31 7.046 6.562 8.567 1.00 0.00 C ATOM 479 C LEU A 31 8.345 6.570 7.771 1.00 0.00 C ATOM 480 O LEU A 31 9.112 7.533 7.825 1.00 0.00 O ATOM 481 CB LEU A 31 7.233 5.744 9.851 1.00 0.00 C ATOM 482 CG LEU A 31 6.098 5.853 10.879 1.00 0.00 C ATOM 483 CD1 LEU A 31 6.334 4.853 12.003 1.00 0.00 C ATOM 484 CD2 LEU A 31 6.035 7.274 11.417 1.00 0.00 C ATOM 0 H LEU A 31 5.623 5.100 8.085 1.00 0.00 H new ATOM 0 HA LEU A 31 6.794 7.590 8.825 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.352 4.695 9.578 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.162 6.057 10.328 1.00 0.00 H new ATOM 0 HG LEU A 31 5.143 5.622 10.406 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.529 4.930 12.733 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.357 3.843 11.593 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.286 5.069 12.488 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.229 7.351 12.147 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.982 7.525 11.894 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.848 7.966 10.596 1.00 0.00 H new ATOM 496 N LYS A 32 8.587 5.493 7.031 1.00 0.00 N ATOM 497 CA LYS A 32 9.785 5.384 6.207 1.00 0.00 C ATOM 498 C LYS A 32 9.866 6.522 5.199 1.00 0.00 C ATOM 499 O LYS A 32 10.935 7.092 4.977 1.00 0.00 O ATOM 500 CB LYS A 32 9.814 4.037 5.483 1.00 0.00 C ATOM 501 CG LYS A 32 11.056 3.807 4.631 1.00 0.00 C ATOM 502 CD LYS A 32 11.062 2.410 4.028 1.00 0.00 C ATOM 503 CE LYS A 32 12.302 2.181 3.175 1.00 0.00 C ATOM 504 NZ LYS A 32 12.337 0.808 2.603 1.00 0.00 N ATOM 0 H LYS A 32 7.969 4.683 6.985 1.00 0.00 H new ATOM 0 HA LYS A 32 10.651 5.451 6.866 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.743 3.239 6.222 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.932 3.961 4.846 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.095 4.550 3.834 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.949 3.946 5.241 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.024 1.667 4.825 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.169 2.270 3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.326 2.912 2.367 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.194 2.345 3.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.197 0.693 2.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.340 0.111 3.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.499 0.660 2.005 1.00 0.00 H new ATOM 518 N TYR A 33 8.731 6.850 4.591 1.00 0.00 N ATOM 519 CA TYR A 33 8.683 7.889 3.570 1.00 0.00 C ATOM 520 C TYR A 33 7.932 9.118 4.070 1.00 0.00 C ATOM 521 O TYR A 33 7.306 9.835 3.289 1.00 0.00 O ATOM 522 CB TYR A 33 8.032 7.356 2.292 1.00 0.00 C ATOM 523 CG TYR A 33 8.708 6.125 1.732 1.00 0.00 C ATOM 524 CD1 TYR A 33 9.987 6.216 1.201 1.00 0.00 C ATOM 525 CD2 TYR A 33 8.052 4.903 1.748 1.00 0.00 C ATOM 526 CE1 TYR A 33 10.606 5.092 0.689 1.00 0.00 C ATOM 527 CE2 TYR A 33 8.670 3.779 1.236 1.00 0.00 C ATOM 528 CZ TYR A 33 9.942 3.870 0.709 1.00 0.00 C ATOM 529 OH TYR A 33 10.558 2.751 0.199 1.00 0.00 O ATOM 0 H TYR A 33 7.832 6.411 4.788 1.00 0.00 H new ATOM 0 HA TYR A 33 9.708 8.184 3.346 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.987 7.124 2.497 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.042 8.141 1.536 1.00 0.00 H new ATOM 0 HD1 TYR A 33 10.499 7.167 1.188 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.057 4.830 2.161 1.00 0.00 H new ATOM 0 HE1 TYR A 33 11.601 5.162 0.275 1.00 0.00 H new ATOM 0 HE2 TYR A 33 8.157 2.828 1.248 1.00 0.00 H new ATOM 0 HH TYR A 33 9.961 1.979 0.289 1.00 0.00 H new ATOM 539 N HIS A 34 8.000 9.355 5.375 1.00 0.00 N ATOM 540 CA HIS A 34 7.259 10.446 5.995 1.00 0.00 C ATOM 541 C HIS A 34 7.612 11.784 5.359 1.00 0.00 C ATOM 542 O HIS A 34 8.779 12.172 5.317 1.00 0.00 O ATOM 543 CB HIS A 34 7.533 10.502 7.502 1.00 0.00 C ATOM 544 CG HIS A 34 6.501 11.262 8.274 1.00 0.00 C ATOM 545 ND1 HIS A 34 6.307 12.618 8.122 1.00 0.00 N ATOM 546 CD2 HIS A 34 5.607 10.856 9.205 1.00 0.00 C ATOM 547 CE1 HIS A 34 5.336 13.014 8.927 1.00 0.00 C ATOM 548 NE2 HIS A 34 4.895 11.963 9.595 1.00 0.00 N ATOM 0 H HIS A 34 8.562 8.805 6.025 1.00 0.00 H new ATOM 0 HA HIS A 34 6.198 10.254 5.833 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.588 9.485 7.890 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.508 10.960 7.668 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.478 9.849 9.573 1.00 0.00 H new ATOM 0 HE1 HIS A 34 4.966 14.024 9.022 1.00 0.00 H new ATOM 0 HE2 HIS A 34 4.147 11.973 10.288 1.00 0.00 H new ATOM 556 N PRO A 35 6.598 12.486 4.865 1.00 0.00 N ATOM 557 CA PRO A 35 6.813 13.704 4.094 1.00 0.00 C ATOM 558 C PRO A 35 7.625 14.721 4.885 1.00 0.00 C ATOM 559 O PRO A 35 8.426 15.466 4.318 1.00 0.00 O ATOM 560 CB PRO A 35 5.388 14.202 3.832 1.00 0.00 C ATOM 561 CG PRO A 35 4.572 12.956 3.763 1.00 0.00 C ATOM 562 CD PRO A 35 5.166 12.062 4.820 1.00 0.00 C ATOM 0 HA PRO A 35 7.381 13.540 3.178 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.043 14.860 4.630 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.329 14.769 2.903 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.519 13.159 3.959 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.629 12.497 2.776 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.676 12.198 5.784 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.067 11.009 4.558 1.00 0.00 H new ATOM 570 N ASP A 36 7.416 14.747 6.197 1.00 0.00 N ATOM 571 CA ASP A 36 7.956 15.807 7.038 1.00 0.00 C ATOM 572 C ASP A 36 9.355 15.459 7.533 1.00 0.00 C ATOM 573 O ASP A 36 9.962 16.217 8.290 1.00 0.00 O ATOM 574 CB ASP A 36 7.037 16.067 8.233 1.00 0.00 C ATOM 575 CG ASP A 36 5.682 16.631 7.826 1.00 0.00 C ATOM 576 OD1 ASP A 36 5.595 17.212 6.770 1.00 0.00 O ATOM 577 OD2 ASP A 36 4.747 16.477 8.575 1.00 0.00 O ATOM 0 H ASP A 36 6.875 14.044 6.701 1.00 0.00 H new ATOM 0 HA ASP A 36 8.018 16.710 6.431 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.888 15.136 8.780 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.525 16.763 8.915 1.00 0.00 H new ATOM 582 N LYS A 37 9.861 14.310 7.098 1.00 0.00 N ATOM 583 CA LYS A 37 11.216 13.891 7.442 1.00 0.00 C ATOM 584 C LYS A 37 12.169 14.104 6.273 1.00 0.00 C ATOM 585 O LYS A 37 11.780 13.985 5.111 1.00 0.00 O ATOM 586 CB LYS A 37 11.230 12.424 7.872 1.00 0.00 C ATOM 587 CG LYS A 37 10.370 12.118 9.092 1.00 0.00 C ATOM 588 CD LYS A 37 10.886 12.844 10.326 1.00 0.00 C ATOM 589 CE LYS A 37 10.082 12.471 11.563 1.00 0.00 C ATOM 590 NZ LYS A 37 10.540 13.213 12.769 1.00 0.00 N ATOM 0 H LYS A 37 9.354 13.652 6.507 1.00 0.00 H new ATOM 0 HA LYS A 37 11.555 14.506 8.276 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.888 11.810 7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.258 12.130 8.084 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.339 12.414 8.897 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.364 11.044 9.275 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.936 12.597 10.484 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.833 13.921 10.166 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.027 12.681 11.387 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.168 11.399 11.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.967 12.930 13.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.540 12.993 12.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.434 14.235 12.609 1.00 0.00 H new ATOM 604 N PRO A 38 13.421 14.419 6.588 1.00 0.00 N ATOM 605 CA PRO A 38 14.420 14.702 5.565 1.00 0.00 C ATOM 606 C PRO A 38 14.859 13.428 4.855 1.00 0.00 C ATOM 607 O PRO A 38 15.491 13.480 3.800 1.00 0.00 O ATOM 608 CB PRO A 38 15.567 15.327 6.366 1.00 0.00 C ATOM 609 CG PRO A 38 15.427 14.734 7.727 1.00 0.00 C ATOM 610 CD PRO A 38 13.941 14.647 7.946 1.00 0.00 C ATOM 0 HA PRO A 38 14.053 15.353 4.772 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.536 15.090 5.926 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.487 16.414 6.395 1.00 0.00 H new ATOM 0 HG2 PRO A 38 15.895 13.751 7.782 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.904 15.357 8.483 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.679 13.832 8.621 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.543 15.563 8.383 1.00 0.00 H new ATOM 618 N THR A 39 14.520 12.285 5.441 1.00 0.00 N ATOM 619 CA THR A 39 14.859 10.994 4.854 1.00 0.00 C ATOM 620 C THR A 39 13.625 10.307 4.284 1.00 0.00 C ATOM 621 O THR A 39 13.661 9.124 3.948 1.00 0.00 O ATOM 622 CB THR A 39 15.532 10.073 5.889 1.00 0.00 C ATOM 623 OG1 THR A 39 14.638 9.853 6.988 1.00 0.00 O ATOM 624 CG2 THR A 39 16.817 10.700 6.405 1.00 0.00 C ATOM 0 H THR A 39 14.010 12.226 6.323 1.00 0.00 H new ATOM 0 HA THR A 39 15.561 11.184 4.042 1.00 0.00 H new ATOM 0 HB THR A 39 15.770 9.124 5.408 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.066 9.266 7.645 1.00 0.00 H new ATOM 0 HG21 THR A 39 17.279 10.035 7.135 1.00 0.00 H new ATOM 0 HG22 THR A 39 17.504 10.859 5.574 1.00 0.00 H new ATOM 0 HG23 THR A 39 16.591 11.656 6.877 1.00 0.00 H new ATOM 632 N GLY A 40 12.532 11.057 4.178 1.00 0.00 N ATOM 633 CA GLY A 40 11.283 10.520 3.651 1.00 0.00 C ATOM 634 C GLY A 40 11.152 10.795 2.158 1.00 0.00 C ATOM 635 O GLY A 40 12.129 11.131 1.491 1.00 0.00 O ATOM 0 H GLY A 40 12.487 12.039 4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.241 9.446 3.831 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.441 10.965 4.181 1.00 0.00 H new ATOM 639 N ASP A 41 9.937 10.648 1.640 1.00 0.00 N ATOM 640 CA ASP A 41 9.683 10.848 0.217 1.00 0.00 C ATOM 641 C ASP A 41 8.202 11.091 -0.047 1.00 0.00 C ATOM 642 O ASP A 41 7.390 10.169 0.020 1.00 0.00 O ATOM 643 CB ASP A 41 10.158 9.637 -0.587 1.00 0.00 C ATOM 644 CG ASP A 41 10.006 9.829 -2.091 1.00 0.00 C ATOM 645 OD1 ASP A 41 9.178 10.615 -2.489 1.00 0.00 O ATOM 646 OD2 ASP A 41 10.718 9.188 -2.827 1.00 0.00 O ATOM 0 H ASP A 41 9.113 10.391 2.184 1.00 0.00 H new ATOM 0 HA ASP A 41 10.241 11.729 -0.099 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.205 9.440 -0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.592 8.758 -0.279 1.00 0.00 H new ATOM 651 N THR A 42 7.857 12.340 -0.346 1.00 0.00 N ATOM 652 CA THR A 42 6.463 12.733 -0.502 1.00 0.00 C ATOM 653 C THR A 42 5.813 12.007 -1.674 1.00 0.00 C ATOM 654 O THR A 42 4.681 11.535 -1.574 1.00 0.00 O ATOM 655 CB THR A 42 6.335 14.254 -0.701 1.00 0.00 C ATOM 656 OG1 THR A 42 6.852 14.934 0.450 1.00 0.00 O ATOM 657 CG2 THR A 42 4.879 14.645 -0.903 1.00 0.00 C ATOM 0 H THR A 42 8.526 13.097 -0.485 1.00 0.00 H new ATOM 0 HA THR A 42 5.945 12.453 0.415 1.00 0.00 H new ATOM 0 HB THR A 42 6.904 14.538 -1.586 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.772 15.902 0.321 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.808 15.724 -1.042 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.485 14.139 -1.784 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.299 14.353 -0.028 1.00 0.00 H new ATOM 665 N GLU A 43 6.538 11.921 -2.785 1.00 0.00 N ATOM 666 CA GLU A 43 6.041 11.236 -3.972 1.00 0.00 C ATOM 667 C GLU A 43 5.727 9.775 -3.674 1.00 0.00 C ATOM 668 O GLU A 43 4.659 9.276 -4.028 1.00 0.00 O ATOM 669 CB GLU A 43 7.064 11.326 -5.108 1.00 0.00 C ATOM 670 CG GLU A 43 6.622 10.666 -6.405 1.00 0.00 C ATOM 671 CD GLU A 43 7.619 10.838 -7.517 1.00 0.00 C ATOM 672 OE1 GLU A 43 8.612 11.489 -7.304 1.00 0.00 O ATOM 673 OE2 GLU A 43 7.386 10.315 -8.582 1.00 0.00 O ATOM 0 H GLU A 43 7.472 12.318 -2.888 1.00 0.00 H new ATOM 0 HA GLU A 43 5.119 11.730 -4.280 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.280 12.376 -5.304 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.996 10.865 -4.779 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.461 9.602 -6.229 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.665 11.087 -6.713 1.00 0.00 H new ATOM 680 N LYS A 44 6.663 9.095 -3.020 1.00 0.00 N ATOM 681 CA LYS A 44 6.477 7.697 -2.652 1.00 0.00 C ATOM 682 C LYS A 44 5.374 7.543 -1.613 1.00 0.00 C ATOM 683 O LYS A 44 4.612 6.576 -1.642 1.00 0.00 O ATOM 684 CB LYS A 44 7.784 7.105 -2.122 1.00 0.00 C ATOM 685 CG LYS A 44 7.722 5.613 -1.820 1.00 0.00 C ATOM 686 CD LYS A 44 7.402 4.808 -3.071 1.00 0.00 C ATOM 687 CE LYS A 44 8.517 4.915 -4.100 1.00 0.00 C ATOM 688 NZ LYS A 44 8.242 4.092 -5.308 1.00 0.00 N ATOM 0 H LYS A 44 7.559 9.490 -2.734 1.00 0.00 H new ATOM 0 HA LYS A 44 6.179 7.153 -3.548 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.572 7.283 -2.854 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.067 7.636 -1.213 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.675 5.284 -1.407 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.964 5.425 -1.060 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.251 3.762 -2.804 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.468 5.164 -3.506 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.641 5.958 -4.392 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.457 4.596 -3.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.964 4.284 -6.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.266 3.084 -5.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.303 4.332 -5.685 1.00 0.00 H new ATOM 702 N PHE A 45 5.294 8.501 -0.697 1.00 0.00 N ATOM 703 CA PHE A 45 4.228 8.522 0.298 1.00 0.00 C ATOM 704 C PHE A 45 2.856 8.510 -0.364 1.00 0.00 C ATOM 705 O PHE A 45 1.952 7.796 0.071 1.00 0.00 O ATOM 706 CB PHE A 45 4.356 9.756 1.193 1.00 0.00 C ATOM 707 CG PHE A 45 3.298 9.847 2.257 1.00 0.00 C ATOM 708 CD1 PHE A 45 2.206 10.687 2.099 1.00 0.00 C ATOM 709 CD2 PHE A 45 3.393 9.091 3.416 1.00 0.00 C ATOM 710 CE1 PHE A 45 1.232 10.771 3.076 1.00 0.00 C ATOM 711 CE2 PHE A 45 2.420 9.172 4.393 1.00 0.00 C ATOM 712 CZ PHE A 45 1.339 10.014 4.223 1.00 0.00 C ATOM 0 H PHE A 45 5.955 9.274 -0.623 1.00 0.00 H new ATOM 0 HA PHE A 45 4.326 7.623 0.907 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.337 9.748 1.669 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.311 10.650 0.571 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.116 11.282 1.202 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.237 8.432 3.556 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.387 11.430 2.941 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.505 8.577 5.290 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.579 10.079 4.987 1.00 0.00 H new ATOM 722 N LYS A 46 2.707 9.302 -1.420 1.00 0.00 N ATOM 723 CA LYS A 46 1.466 9.336 -2.183 1.00 0.00 C ATOM 724 C LYS A 46 1.185 7.989 -2.839 1.00 0.00 C ATOM 725 O LYS A 46 0.041 7.537 -2.884 1.00 0.00 O ATOM 726 CB LYS A 46 1.521 10.435 -3.247 1.00 0.00 C ATOM 727 CG LYS A 46 1.472 11.851 -2.690 1.00 0.00 C ATOM 728 CD LYS A 46 1.569 12.886 -3.800 1.00 0.00 C ATOM 729 CE LYS A 46 1.514 14.303 -3.247 1.00 0.00 C ATOM 730 NZ LYS A 46 1.631 15.325 -4.321 1.00 0.00 N ATOM 0 H LYS A 46 3.432 9.930 -1.767 1.00 0.00 H new ATOM 0 HA LYS A 46 0.655 9.554 -1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.436 10.317 -3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.687 10.299 -3.936 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.544 11.994 -2.137 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.290 11.995 -1.984 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.499 12.745 -4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.754 12.739 -4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.576 14.447 -2.710 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.319 14.442 -2.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.589 16.276 -3.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.537 15.205 -4.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.849 15.210 -4.997 1.00 0.00 H new ATOM 744 N GLU A 47 2.236 7.352 -3.343 1.00 0.00 N ATOM 745 CA GLU A 47 2.101 6.069 -4.024 1.00 0.00 C ATOM 746 C GLU A 47 1.616 4.987 -3.068 1.00 0.00 C ATOM 747 O GLU A 47 0.728 4.203 -3.403 1.00 0.00 O ATOM 748 CB GLU A 47 3.433 5.654 -4.648 1.00 0.00 C ATOM 749 CG GLU A 47 3.856 6.492 -5.848 1.00 0.00 C ATOM 750 CD GLU A 47 5.170 6.052 -6.434 1.00 0.00 C ATOM 751 OE1 GLU A 47 5.745 5.122 -5.923 1.00 0.00 O ATOM 752 OE2 GLU A 47 5.596 6.649 -7.395 1.00 0.00 O ATOM 0 H GLU A 47 3.192 7.703 -3.293 1.00 0.00 H new ATOM 0 HA GLU A 47 1.358 6.187 -4.813 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.211 5.714 -3.887 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.367 4.610 -4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.084 6.435 -6.615 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.930 7.537 -5.547 1.00 0.00 H new ATOM 759 N ILE A 48 2.205 4.950 -1.878 1.00 0.00 N ATOM 760 CA ILE A 48 1.854 3.944 -0.882 1.00 0.00 C ATOM 761 C ILE A 48 0.515 4.261 -0.228 1.00 0.00 C ATOM 762 O ILE A 48 -0.154 3.373 0.301 1.00 0.00 O ATOM 763 CB ILE A 48 2.943 3.842 0.202 1.00 0.00 C ATOM 764 CG1 ILE A 48 3.037 5.150 0.990 1.00 0.00 C ATOM 765 CG2 ILE A 48 4.285 3.496 -0.424 1.00 0.00 C ATOM 766 CD1 ILE A 48 3.923 5.065 2.213 1.00 0.00 C ATOM 0 H ILE A 48 2.928 5.605 -1.579 1.00 0.00 H new ATOM 0 HA ILE A 48 1.775 2.988 -1.400 1.00 0.00 H new ATOM 0 HB ILE A 48 2.671 3.044 0.893 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.416 5.933 0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.036 5.450 1.299 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.043 3.428 0.356 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.209 2.540 -0.941 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.565 4.272 -1.136 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.939 6.031 2.718 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.534 4.306 2.892 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.935 4.797 1.911 1.00 0.00 H new ATOM 778 N SER A 49 0.128 5.530 -0.269 1.00 0.00 N ATOM 779 CA SER A 49 -1.181 5.949 0.219 1.00 0.00 C ATOM 780 C SER A 49 -2.292 5.475 -0.710 1.00 0.00 C ATOM 781 O SER A 49 -3.359 5.060 -0.255 1.00 0.00 O ATOM 782 CB SER A 49 -1.232 7.459 0.352 1.00 0.00 C ATOM 783 OG SER A 49 -0.379 7.901 1.373 1.00 0.00 O ATOM 0 H SER A 49 0.703 6.289 -0.636 1.00 0.00 H new ATOM 0 HA SER A 49 -1.335 5.495 1.198 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.945 7.921 -0.593 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.253 7.775 0.564 1.00 0.00 H new ATOM 0 HG SER A 49 0.499 8.116 0.995 1.00 0.00 H new ATOM 789 N GLU A 50 -2.037 5.541 -2.012 1.00 0.00 N ATOM 790 CA GLU A 50 -2.917 4.924 -2.997 1.00 0.00 C ATOM 791 C GLU A 50 -3.000 3.417 -2.794 1.00 0.00 C ATOM 792 O GLU A 50 -4.089 2.844 -2.772 1.00 0.00 O ATOM 793 CB GLU A 50 -2.427 5.231 -4.416 1.00 0.00 C ATOM 794 CG GLU A 50 -3.262 4.597 -5.519 1.00 0.00 C ATOM 795 CD GLU A 50 -2.780 4.957 -6.897 1.00 0.00 C ATOM 796 OE1 GLU A 50 -1.915 5.794 -7.004 1.00 0.00 O ATOM 797 OE2 GLU A 50 -3.279 4.396 -7.844 1.00 0.00 O ATOM 0 H GLU A 50 -1.227 6.016 -2.410 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.914 5.344 -2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.418 6.312 -4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.397 4.888 -4.514 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.243 3.513 -5.405 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.300 4.912 -5.409 1.00 0.00 H new ATOM 804 N ALA A 51 -1.844 2.779 -2.644 1.00 0.00 N ATOM 805 CA ALA A 51 -1.787 1.349 -2.370 1.00 0.00 C ATOM 806 C ALA A 51 -2.610 0.991 -1.139 1.00 0.00 C ATOM 807 O ALA A 51 -3.369 0.022 -1.148 1.00 0.00 O ATOM 808 CB ALA A 51 -0.344 0.899 -2.192 1.00 0.00 C ATOM 0 H ALA A 51 -0.932 3.232 -2.708 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.215 0.826 -3.225 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.319 -0.171 -1.988 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.217 1.108 -3.103 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.105 1.438 -1.358 1.00 0.00 H new ATOM 814 N PHE A 52 -2.454 1.780 -0.080 1.00 0.00 N ATOM 815 CA PHE A 52 -3.205 1.566 1.151 1.00 0.00 C ATOM 816 C PHE A 52 -4.706 1.662 0.905 1.00 0.00 C ATOM 817 O PHE A 52 -5.456 0.740 1.223 1.00 0.00 O ATOM 818 CB PHE A 52 -2.790 2.586 2.213 1.00 0.00 C ATOM 819 CG PHE A 52 -3.655 2.567 3.441 1.00 0.00 C ATOM 820 CD1 PHE A 52 -3.655 1.470 4.291 1.00 0.00 C ATOM 821 CD2 PHE A 52 -4.471 3.645 3.749 1.00 0.00 C ATOM 822 CE1 PHE A 52 -4.451 1.453 5.420 1.00 0.00 C ATOM 823 CE2 PHE A 52 -5.266 3.631 4.880 1.00 0.00 C ATOM 824 CZ PHE A 52 -5.257 2.531 5.715 1.00 0.00 C ATOM 0 H PHE A 52 -1.814 2.573 -0.050 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.978 0.562 1.508 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.757 2.394 2.504 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.818 3.584 1.776 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.026 0.621 4.068 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.486 4.506 3.097 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.442 0.593 6.073 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.893 4.479 5.110 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.880 2.516 6.597 1.00 0.00 H new ATOM 834 N GLU A 53 -5.136 2.784 0.338 1.00 0.00 N ATOM 835 CA GLU A 53 -6.553 3.032 0.109 1.00 0.00 C ATOM 836 C GLU A 53 -7.205 1.868 -0.629 1.00 0.00 C ATOM 837 O GLU A 53 -8.267 1.388 -0.236 1.00 0.00 O ATOM 838 CB GLU A 53 -6.748 4.324 -0.686 1.00 0.00 C ATOM 839 CG GLU A 53 -8.176 4.565 -1.157 1.00 0.00 C ATOM 840 CD GLU A 53 -9.137 4.787 -0.020 1.00 0.00 C ATOM 841 OE1 GLU A 53 -8.705 5.216 1.022 1.00 0.00 O ATOM 842 OE2 GLU A 53 -10.303 4.526 -0.198 1.00 0.00 O ATOM 0 H GLU A 53 -4.521 3.537 0.028 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.033 3.134 1.082 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.435 5.166 -0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.090 4.304 -1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.194 5.433 -1.817 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.508 3.710 -1.746 1.00 0.00 H new ATOM 849 N ILE A 54 -6.559 1.418 -1.699 1.00 0.00 N ATOM 850 CA ILE A 54 -7.087 0.327 -2.508 1.00 0.00 C ATOM 851 C ILE A 54 -7.086 -0.983 -1.731 1.00 0.00 C ATOM 852 O ILE A 54 -8.049 -1.750 -1.784 1.00 0.00 O ATOM 853 CB ILE A 54 -6.270 0.157 -3.802 1.00 0.00 C ATOM 854 CG1 ILE A 54 -6.473 1.362 -4.724 1.00 0.00 C ATOM 855 CG2 ILE A 54 -6.657 -1.132 -4.510 1.00 0.00 C ATOM 856 CD1 ILE A 54 -5.498 1.418 -5.878 1.00 0.00 C ATOM 0 H ILE A 54 -5.668 1.793 -2.026 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.115 0.582 -2.767 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.213 0.099 -3.540 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.489 1.338 -5.119 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.380 2.276 -4.138 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.070 -1.236 -5.423 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.462 -1.980 -3.854 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.717 -1.105 -4.762 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.704 2.299 -6.486 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.480 1.474 -5.492 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.605 0.522 -6.489 1.00 0.00 H new ATOM 868 N LEU A 55 -6.000 -1.237 -1.009 1.00 0.00 N ATOM 869 CA LEU A 55 -5.821 -2.507 -0.315 1.00 0.00 C ATOM 870 C LEU A 55 -6.438 -2.465 1.078 1.00 0.00 C ATOM 871 O LEU A 55 -6.487 -3.478 1.777 1.00 0.00 O ATOM 872 CB LEU A 55 -4.329 -2.847 -0.208 1.00 0.00 C ATOM 873 CG LEU A 55 -3.598 -3.058 -1.541 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.119 -3.300 -1.277 1.00 0.00 C ATOM 875 CD2 LEU A 55 -4.221 -4.233 -2.281 1.00 0.00 C ATOM 0 H LEU A 55 -5.230 -0.579 -0.889 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.328 -3.279 -0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.830 -2.045 0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.223 -3.752 0.391 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.695 -2.169 -2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.600 -3.450 -2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.695 -2.437 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.001 -4.187 -0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.702 -4.383 -3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.134 -5.133 -1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.274 -4.025 -2.473 1.00 0.00 H new ATOM 887 N ASN A 56 -6.908 -1.288 1.476 1.00 0.00 N ATOM 888 CA ASN A 56 -7.625 -1.137 2.736 1.00 0.00 C ATOM 889 C ASN A 56 -9.080 -1.561 2.597 1.00 0.00 C ATOM 890 O ASN A 56 -9.551 -2.442 3.316 1.00 0.00 O ATOM 891 CB ASN A 56 -7.530 0.294 3.235 1.00 0.00 C ATOM 892 CG ASN A 56 -8.189 0.485 4.573 1.00 0.00 C ATOM 893 OD1 ASN A 56 -7.856 -0.204 5.545 1.00 0.00 O ATOM 894 ND2 ASN A 56 -9.114 1.406 4.643 1.00 0.00 N ATOM 0 H ASN A 56 -6.805 -0.424 0.944 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.155 -1.792 3.470 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.481 0.581 3.307 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -7.994 0.960 2.507 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.594 1.581 5.526 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.356 1.950 3.815 1.00 0.00 H new ATOM 901 N ASP A 57 -9.790 -0.928 1.670 1.00 0.00 N ATOM 902 CA ASP A 57 -11.156 -1.323 1.347 1.00 0.00 C ATOM 903 C ASP A 57 -11.195 -2.714 0.725 1.00 0.00 C ATOM 904 O ASP A 57 -10.654 -2.934 -0.359 1.00 0.00 O ATOM 905 CB ASP A 57 -11.796 -0.313 0.391 1.00 0.00 C ATOM 906 CG ASP A 57 -13.262 -0.613 0.106 1.00 0.00 C ATOM 907 OD1 ASP A 57 -13.692 -1.703 0.400 1.00 0.00 O ATOM 908 OD2 ASP A 57 -13.935 0.249 -0.406 1.00 0.00 O ATOM 0 H ASP A 57 -9.441 -0.137 1.128 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.722 -1.344 2.278 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.711 0.687 0.817 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.242 -0.308 -0.548 1.00 0.00 H new ATOM 913 N PRO A 58 -11.837 -3.649 1.417 1.00 0.00 N ATOM 914 CA PRO A 58 -11.908 -5.030 0.957 1.00 0.00 C ATOM 915 C PRO A 58 -12.408 -5.108 -0.479 1.00 0.00 C ATOM 916 O PRO A 58 -11.963 -5.952 -1.257 1.00 0.00 O ATOM 917 CB PRO A 58 -12.899 -5.669 1.935 1.00 0.00 C ATOM 918 CG PRO A 58 -12.698 -4.914 3.205 1.00 0.00 C ATOM 919 CD PRO A 58 -12.476 -3.491 2.763 1.00 0.00 C ATOM 0 HA PRO A 58 -10.940 -5.531 0.946 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -13.925 -5.581 1.577 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.698 -6.732 2.068 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -13.567 -4.996 3.858 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.843 -5.295 3.763 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -13.413 -2.937 2.702 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.830 -2.950 3.455 1.00 0.00 H new ATOM 927 N GLN A 59 -13.332 -4.220 -0.827 1.00 0.00 N ATOM 928 CA GLN A 59 -13.914 -4.204 -2.164 1.00 0.00 C ATOM 929 C GLN A 59 -12.886 -3.786 -3.207 1.00 0.00 C ATOM 930 O GLN A 59 -12.768 -4.413 -4.261 1.00 0.00 O ATOM 931 CB GLN A 59 -15.121 -3.261 -2.212 1.00 0.00 C ATOM 932 CG GLN A 59 -16.328 -3.752 -1.432 1.00 0.00 C ATOM 933 CD GLN A 59 -17.468 -2.752 -1.439 1.00 0.00 C ATOM 934 OE1 GLN A 59 -17.250 -1.540 -1.356 1.00 0.00 O ATOM 935 NE2 GLN A 59 -18.693 -3.254 -1.537 1.00 0.00 N ATOM 0 H GLN A 59 -13.695 -3.501 -0.201 1.00 0.00 H new ATOM 0 HA GLN A 59 -14.244 -5.217 -2.395 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -14.823 -2.288 -1.823 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -15.411 -3.113 -3.252 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -16.673 -4.695 -1.857 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -16.033 -3.956 -0.402 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -18.827 -4.263 -1.603 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -19.500 -2.631 -1.546 1.00 0.00 H new ATOM 944 N LYS A 60 -12.144 -2.726 -2.909 1.00 0.00 N ATOM 945 CA LYS A 60 -11.109 -2.237 -3.812 1.00 0.00 C ATOM 946 C LYS A 60 -9.954 -3.224 -3.911 1.00 0.00 C ATOM 947 O LYS A 60 -9.351 -3.384 -4.972 1.00 0.00 O ATOM 948 CB LYS A 60 -10.597 -0.872 -3.348 1.00 0.00 C ATOM 949 CG LYS A 60 -11.604 0.262 -3.496 1.00 0.00 C ATOM 950 CD LYS A 60 -11.015 1.586 -3.037 1.00 0.00 C ATOM 951 CE LYS A 60 -12.038 2.710 -3.135 1.00 0.00 C ATOM 952 NZ LYS A 60 -11.459 4.024 -2.744 1.00 0.00 N ATOM 0 H LYS A 60 -12.240 -2.188 -2.048 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.552 -2.131 -4.802 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.302 -0.945 -2.301 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.701 -0.622 -3.915 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.915 0.341 -4.538 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.497 0.037 -2.913 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.669 1.495 -2.007 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.144 1.830 -3.646 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.415 2.769 -4.156 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.889 2.483 -2.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.196 4.756 -2.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.091 3.966 -1.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.685 4.269 -3.394 1.00 0.00 H new ATOM 966 N ARG A 61 -9.647 -3.884 -2.799 1.00 0.00 N ATOM 967 CA ARG A 61 -8.611 -4.908 -2.776 1.00 0.00 C ATOM 968 C ARG A 61 -8.955 -6.061 -3.710 1.00 0.00 C ATOM 969 O ARG A 61 -8.107 -6.534 -4.466 1.00 0.00 O ATOM 970 CB ARG A 61 -8.416 -5.442 -1.365 1.00 0.00 C ATOM 971 CG ARG A 61 -7.350 -6.518 -1.228 1.00 0.00 C ATOM 972 CD ARG A 61 -7.336 -7.106 0.135 1.00 0.00 C ATOM 973 NE ARG A 61 -8.648 -7.589 0.532 1.00 0.00 N ATOM 974 CZ ARG A 61 -9.299 -8.612 -0.057 1.00 0.00 C ATOM 975 NH1 ARG A 61 -8.746 -9.248 -1.065 1.00 0.00 N ATOM 976 NH2 ARG A 61 -10.492 -8.974 0.379 1.00 0.00 N ATOM 0 H ARG A 61 -10.103 -3.727 -1.900 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.686 -4.444 -3.118 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.158 -4.610 -0.710 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.365 -5.844 -1.010 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.530 -7.304 -1.962 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.372 -6.092 -1.451 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.621 -7.928 0.168 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.994 -6.357 0.849 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.109 -7.121 1.312 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.825 -8.968 -1.401 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.238 -10.022 -1.511 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.921 -8.480 1.161 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.985 -9.748 -0.067 1.00 0.00 H new ATOM 990 N GLU A 62 -10.204 -6.510 -3.651 1.00 0.00 N ATOM 991 CA GLU A 62 -10.674 -7.583 -4.519 1.00 0.00 C ATOM 992 C GLU A 62 -10.606 -7.177 -5.984 1.00 0.00 C ATOM 993 O GLU A 62 -10.287 -7.991 -6.851 1.00 0.00 O ATOM 994 CB GLU A 62 -12.108 -7.976 -4.154 1.00 0.00 C ATOM 995 CG GLU A 62 -12.233 -8.765 -2.858 1.00 0.00 C ATOM 996 CD GLU A 62 -11.590 -10.122 -2.935 1.00 0.00 C ATOM 997 OE1 GLU A 62 -11.591 -10.699 -3.996 1.00 0.00 O ATOM 998 OE2 GLU A 62 -11.100 -10.583 -1.931 1.00 0.00 O ATOM 0 H GLU A 62 -10.910 -6.147 -3.010 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.019 -8.441 -4.371 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.711 -7.071 -4.074 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.528 -8.568 -4.967 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.776 -8.197 -2.047 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -13.288 -8.882 -2.610 1.00 0.00 H new ATOM 1005 N ILE A 63 -10.909 -5.912 -6.257 1.00 0.00 N ATOM 1006 CA ILE A 63 -10.796 -5.370 -7.606 1.00 0.00 C ATOM 1007 C ILE A 63 -9.353 -5.406 -8.095 1.00 0.00 C ATOM 1008 O ILE A 63 -9.080 -5.812 -9.224 1.00 0.00 O ATOM 1009 CB ILE A 63 -11.323 -3.925 -7.662 1.00 0.00 C ATOM 1010 CG1 ILE A 63 -12.836 -3.899 -7.433 1.00 0.00 C ATOM 1011 CG2 ILE A 63 -10.973 -3.285 -8.997 1.00 0.00 C ATOM 1012 CD1 ILE A 63 -13.394 -2.513 -7.199 1.00 0.00 C ATOM 0 H ILE A 63 -11.235 -5.242 -5.560 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.403 -5.996 -8.260 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.846 -3.350 -6.869 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.333 -4.339 -8.298 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.075 -4.527 -6.574 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.352 -2.263 -9.021 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.890 -3.273 -9.122 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.425 -3.859 -9.806 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -14.471 -2.576 -7.045 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -12.926 -2.077 -6.317 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -13.188 -1.886 -8.067 1.00 0.00 H new ATOM 1024 N TYR A 64 -8.433 -4.979 -7.238 1.00 0.00 N ATOM 1025 CA TYR A 64 -7.013 -4.992 -7.568 1.00 0.00 C ATOM 1026 C TYR A 64 -6.498 -6.416 -7.730 1.00 0.00 C ATOM 1027 O TYR A 64 -5.916 -6.765 -8.756 1.00 0.00 O ATOM 1028 CB TYR A 64 -6.206 -4.254 -6.497 1.00 0.00 C ATOM 1029 CG TYR A 64 -4.710 -4.321 -6.707 1.00 0.00 C ATOM 1030 CD1 TYR A 64 -4.123 -3.615 -7.747 1.00 0.00 C ATOM 1031 CD2 TYR A 64 -3.924 -5.085 -5.857 1.00 0.00 C ATOM 1032 CE1 TYR A 64 -2.757 -3.676 -7.938 1.00 0.00 C ATOM 1033 CE2 TYR A 64 -2.557 -5.145 -6.048 1.00 0.00 C ATOM 1034 CZ TYR A 64 -1.974 -4.445 -7.083 1.00 0.00 C ATOM 1035 OH TYR A 64 -0.612 -4.504 -7.274 1.00 0.00 O ATOM 0 H TYR A 64 -8.646 -4.619 -6.308 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.887 -4.476 -8.520 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.515 -3.209 -6.479 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.446 -4.674 -5.520 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.734 -3.018 -8.407 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.381 -5.633 -5.046 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.298 -3.129 -8.748 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.945 -5.740 -5.387 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.404 -4.299 -8.209 1.00 0.00 H new ATOM 1045 N ASP A 65 -6.718 -7.238 -6.707 1.00 0.00 N ATOM 1046 CA ASP A 65 -6.213 -8.606 -6.703 1.00 0.00 C ATOM 1047 C ASP A 65 -6.723 -9.386 -7.908 1.00 0.00 C ATOM 1048 O ASP A 65 -5.992 -10.178 -8.502 1.00 0.00 O ATOM 1049 CB ASP A 65 -6.619 -9.323 -5.414 1.00 0.00 C ATOM 1050 CG ASP A 65 -5.945 -8.745 -4.176 1.00 0.00 C ATOM 1051 OD1 ASP A 65 -5.005 -8.001 -4.329 1.00 0.00 O ATOM 1052 OD2 ASP A 65 -6.375 -9.053 -3.090 1.00 0.00 O ATOM 0 H ASP A 65 -7.242 -6.980 -5.871 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.126 -8.557 -6.759 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.701 -9.261 -5.295 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.368 -10.380 -5.498 1.00 0.00 H new ATOM 1057 N GLN A 66 -7.983 -9.157 -8.263 1.00 0.00 N ATOM 1058 CA GLN A 66 -8.625 -9.906 -9.337 1.00 0.00 C ATOM 1059 C GLN A 66 -8.309 -9.298 -10.698 1.00 0.00 C ATOM 1060 O GLN A 66 -7.819 -9.982 -11.596 1.00 0.00 O ATOM 1061 CB GLN A 66 -10.140 -9.956 -9.125 1.00 0.00 C ATOM 1062 CG GLN A 66 -10.885 -10.783 -10.159 1.00 0.00 C ATOM 1063 CD GLN A 66 -10.468 -12.240 -10.146 1.00 0.00 C ATOM 1064 OE1 GLN A 66 -10.301 -12.843 -9.082 1.00 0.00 O ATOM 1065 NE2 GLN A 66 -10.296 -12.817 -11.331 1.00 0.00 N ATOM 0 H GLN A 66 -8.580 -8.458 -7.822 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.230 -10.922 -9.316 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -10.344 -10.363 -8.135 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.532 -8.939 -9.139 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -11.957 -10.713 -9.972 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.707 -10.366 -11.150 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.445 -12.281 -12.186 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.015 -13.796 -11.386 1.00 0.00 H new ATOM 1074 N TYR A 67 -8.593 -8.009 -10.844 1.00 0.00 N ATOM 1075 CA TYR A 67 -8.591 -7.366 -12.153 1.00 0.00 C ATOM 1076 C TYR A 67 -7.304 -6.584 -12.381 1.00 0.00 C ATOM 1077 O TYR A 67 -6.717 -6.638 -13.462 1.00 0.00 O ATOM 1078 CB TYR A 67 -9.805 -6.446 -12.300 1.00 0.00 C ATOM 1079 CG TYR A 67 -11.130 -7.174 -12.281 1.00 0.00 C ATOM 1080 CD1 TYR A 67 -11.625 -7.744 -13.446 1.00 0.00 C ATOM 1081 CD2 TYR A 67 -11.850 -7.272 -11.100 1.00 0.00 C ATOM 1082 CE1 TYR A 67 -12.835 -8.409 -13.429 1.00 0.00 C ATOM 1083 CE2 TYR A 67 -13.061 -7.937 -11.084 1.00 0.00 C ATOM 1084 CZ TYR A 67 -13.553 -8.505 -12.242 1.00 0.00 C ATOM 1085 OH TYR A 67 -14.758 -9.168 -12.225 1.00 0.00 O ATOM 0 H TYR A 67 -8.828 -7.387 -10.070 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.649 -8.148 -12.910 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -9.793 -5.713 -11.494 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -9.719 -5.893 -13.235 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -11.064 -7.667 -14.366 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -11.465 -6.829 -10.194 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -13.222 -8.853 -14.334 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.623 -8.012 -10.165 1.00 0.00 H new ATOM 0 HH TYR A 67 -15.131 -9.146 -11.319 1.00 0.00 H new ATOM 1095 N GLY A 68 -6.870 -5.858 -11.356 1.00 0.00 N ATOM 1096 CA GLY A 68 -5.593 -5.156 -11.402 1.00 0.00 C ATOM 1097 C GLY A 68 -5.758 -3.688 -11.032 1.00 0.00 C ATOM 1098 O GLY A 68 -6.858 -3.239 -10.708 1.00 0.00 O ATOM 0 H GLY A 68 -7.384 -5.741 -10.483 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.890 -5.630 -10.717 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.167 -5.236 -12.402 1.00 0.00 H new ATOM 1102 N LEU A 69 -4.659 -2.944 -11.079 1.00 0.00 N ATOM 1103 CA LEU A 69 -4.655 -1.553 -10.640 1.00 0.00 C ATOM 1104 C LEU A 69 -5.582 -0.702 -11.497 1.00 0.00 C ATOM 1105 O LEU A 69 -6.347 0.113 -10.980 1.00 0.00 O ATOM 1106 CB LEU A 69 -3.232 -0.984 -10.694 1.00 0.00 C ATOM 1107 CG LEU A 69 -3.084 0.479 -10.260 1.00 0.00 C ATOM 1108 CD1 LEU A 69 -3.563 0.634 -8.823 1.00 0.00 C ATOM 1109 CD2 LEU A 69 -1.630 0.907 -10.399 1.00 0.00 C ATOM 0 H LEU A 69 -3.758 -3.281 -11.417 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.017 -1.526 -9.612 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.591 -1.598 -10.062 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.860 -1.081 -11.714 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.694 1.119 -10.898 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.458 1.674 -8.515 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.610 0.340 -8.755 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.964 -0.001 -8.169 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.526 1.947 -10.090 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.003 0.277 -9.768 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.318 0.804 -11.438 1.00 0.00 H new ATOM 1121 N GLU A 70 -5.509 -0.895 -12.810 1.00 0.00 N ATOM 1122 CA GLU A 70 -6.338 -0.141 -13.742 1.00 0.00 C ATOM 1123 C GLU A 70 -7.805 -0.183 -13.335 1.00 0.00 C ATOM 1124 O GLU A 70 -8.487 0.842 -13.329 1.00 0.00 O ATOM 1125 CB GLU A 70 -6.176 -0.687 -15.162 1.00 0.00 C ATOM 1126 CG GLU A 70 -6.972 0.065 -16.220 1.00 0.00 C ATOM 1127 CD GLU A 70 -6.766 -0.480 -17.605 1.00 0.00 C ATOM 1128 OE1 GLU A 70 -6.016 -1.416 -17.750 1.00 0.00 O ATOM 1129 OE2 GLU A 70 -7.360 0.038 -18.521 1.00 0.00 O ATOM 0 H GLU A 70 -4.883 -1.568 -13.252 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.006 0.897 -13.717 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.120 -0.658 -15.431 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.479 -1.734 -15.172 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.032 0.019 -15.971 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.686 1.117 -16.203 1.00 0.00 H new ATOM 1136 N ALA A 71 -8.285 -1.374 -12.994 1.00 0.00 N ATOM 1137 CA ALA A 71 -9.656 -1.542 -12.526 1.00 0.00 C ATOM 1138 C ALA A 71 -9.863 -0.867 -11.176 1.00 0.00 C ATOM 1139 O ALA A 71 -10.909 -0.268 -10.925 1.00 0.00 O ATOM 1140 CB ALA A 71 -10.007 -3.021 -12.437 1.00 0.00 C ATOM 0 H ALA A 71 -7.744 -2.238 -13.033 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.319 -1.064 -13.247 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.033 -3.131 -12.086 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.909 -3.478 -13.422 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.330 -3.514 -11.739 1.00 0.00 H new ATOM 1146 N ALA A 72 -8.862 -0.969 -10.309 1.00 0.00 N ATOM 1147 CA ALA A 72 -8.926 -0.352 -8.990 1.00 0.00 C ATOM 1148 C ALA A 72 -9.007 1.165 -9.094 1.00 0.00 C ATOM 1149 O ALA A 72 -9.645 1.821 -8.269 1.00 0.00 O ATOM 1150 CB ALA A 72 -7.721 -0.762 -8.154 1.00 0.00 C ATOM 0 H ALA A 72 -7.996 -1.474 -10.496 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.833 -0.704 -8.498 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.783 -0.293 -7.172 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.710 -1.846 -8.039 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.806 -0.441 -8.652 1.00 0.00 H new