USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 420 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: X 2 GLN : amide:sc= -3.93! C(o=-6.2!,f=-16!) USER MOD Set 1.2: X 4 LYS NZ :NH3+ 172:sc= -2.32! (180deg=0) USER MOD Single : X 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 1 MET N :NH3+ 153:sc= -0.181 (180deg=-1.07) USER MOD Single : X 3 TYR OH : rot 5:sc= -0.491! USER MOD Single : X 8 ASN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : X 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 11 THR OG1 : rot 180:sc= 0 USER MOD Single : X 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 16 THR OG1 : rot 180:sc= -0.0945 USER MOD Single : X 17 THR OG1 : rot 180:sc= 0 USER MOD Single : X 18 THR OG1 : rot 150:sc= -0.178 USER MOD Single : X 25 THR OG1 : rot 180:sc= -0.449 USER MOD Single : X 28 LYS NZ :NH3+ 143:sc= -0.501 (180deg=-1.82!) USER MOD Single : X 31 LYS NZ :NH3+ 132:sc= 0.377 (180deg=0.0105) USER MOD Single : X 32 GLN : amide:sc= -1.23! K(o=-1.2!,f=-0.023) USER MOD Single : X 33 TYR OH : rot 180:sc= 0 USER MOD Single : X 35 ASN : amide:sc= -6.65! C(o=-6.7!,f=-6.4!) USER MOD Single : X 37 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.26) USER MOD Single : X 44 THR OG1 : rot 180:sc= -0.159 USER MOD Single : X 45 TYR OH : rot 180:sc= 0 USER MOD Single : X 49 THR OG1 : rot 180:sc= 0 USER MOD Single : X 50 LYS NZ :NH3+ 149:sc= -0.355 (180deg=-1.73!) USER MOD Single : X 51 THR OG1 : rot 180:sc= -0.52 USER MOD Single : X 53 THR OG1 : rot 180:sc= 0 USER MOD Single : X 55 THR OG1 : rot -59:sc= 0.338 USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 -13.178 8.562 16.026 1.00 0.00 N ATOM 2 CA MET X 1 -14.666 8.539 15.930 1.00 0.00 C ATOM 3 C MET X 1 -15.096 9.037 14.552 1.00 0.00 C ATOM 4 O MET X 1 -16.184 9.590 14.394 1.00 0.00 O ATOM 5 CB MET X 1 -15.258 9.435 17.020 1.00 0.00 C ATOM 6 CG MET X 1 -14.618 10.823 16.947 1.00 0.00 C ATOM 7 SD MET X 1 -13.503 11.048 18.355 1.00 0.00 S ATOM 8 CE MET X 1 -14.516 12.245 19.260 1.00 0.00 C ATOM 0 H1 MET X 1 -12.896 8.677 17.020 1.00 0.00 H new ATOM 0 H2 MET X 1 -12.793 7.669 15.658 1.00 0.00 H new ATOM 0 H3 MET X 1 -12.806 9.356 15.467 1.00 0.00 H new ATOM 0 HA MET X 1 -15.028 7.520 16.068 1.00 0.00 H new ATOM 0 HB2 MET X 1 -16.338 9.514 16.893 1.00 0.00 H new ATOM 0 HB3 MET X 1 -15.084 8.994 18.002 1.00 0.00 H new ATOM 0 HG2 MET X 1 -14.068 10.933 16.013 1.00 0.00 H new ATOM 0 HG3 MET X 1 -15.390 11.592 16.954 1.00 0.00 H new ATOM 0 HE1 MET X 1 -14.008 12.528 20.182 1.00 0.00 H new ATOM 0 HE2 MET X 1 -14.670 13.131 18.644 1.00 0.00 H new ATOM 0 HE3 MET X 1 -15.481 11.798 19.499 1.00 0.00 H new ATOM 20 N GLN X 2 -14.237 8.834 13.556 1.00 0.00 N ATOM 21 CA GLN X 2 -14.544 9.264 12.195 1.00 0.00 C ATOM 22 C GLN X 2 -14.929 8.065 11.333 1.00 0.00 C ATOM 23 O GLN X 2 -14.243 7.043 11.333 1.00 0.00 O ATOM 24 CB GLN X 2 -13.327 9.968 11.585 1.00 0.00 C ATOM 25 CG GLN X 2 -13.658 11.439 11.328 1.00 0.00 C ATOM 26 CD GLN X 2 -14.538 11.567 10.090 1.00 0.00 C ATOM 27 OE1 GLN X 2 -14.049 11.901 9.010 1.00 0.00 O ATOM 28 NE2 GLN X 2 -15.816 11.319 10.182 1.00 0.00 N ATOM 0 H GLN X 2 -13.331 8.379 13.664 1.00 0.00 H new ATOM 0 HA GLN X 2 -15.384 9.958 12.229 1.00 0.00 H new ATOM 0 HB2 GLN X 2 -12.474 9.890 12.259 1.00 0.00 H new ATOM 0 HB3 GLN X 2 -13.043 9.481 10.652 1.00 0.00 H new ATOM 0 HG2 GLN X 2 -14.169 11.862 12.193 1.00 0.00 H new ATOM 0 HG3 GLN X 2 -12.739 12.009 11.191 1.00 0.00 H new ATOM 0 HE21 GLN X 2 -16.219 11.043 11.077 1.00 0.00 H new ATOM 0 HE22 GLN X 2 -16.412 11.402 9.358 1.00 0.00 H new ATOM 37 N TYR X 3 -16.034 8.192 10.602 1.00 0.00 N ATOM 38 CA TYR X 3 -16.498 7.106 9.746 1.00 0.00 C ATOM 39 C TYR X 3 -17.121 7.647 8.463 1.00 0.00 C ATOM 40 O TYR X 3 -17.835 8.651 8.483 1.00 0.00 O ATOM 41 CB TYR X 3 -17.527 6.257 10.496 1.00 0.00 C ATOM 42 CG TYR X 3 -17.269 4.795 10.221 1.00 0.00 C ATOM 43 CD1 TYR X 3 -17.764 4.208 9.051 1.00 0.00 C ATOM 44 CD2 TYR X 3 -16.535 4.028 11.133 1.00 0.00 C ATOM 45 CE1 TYR X 3 -17.526 2.854 8.792 1.00 0.00 C ATOM 46 CE2 TYR X 3 -16.296 2.672 10.874 1.00 0.00 C ATOM 47 CZ TYR X 3 -16.791 2.085 9.703 1.00 0.00 C ATOM 48 OH TYR X 3 -16.556 0.749 9.448 1.00 0.00 O ATOM 0 H TYR X 3 -16.619 9.028 10.585 1.00 0.00 H new ATOM 0 HA TYR X 3 -15.638 6.492 9.480 1.00 0.00 H new ATOM 0 HB2 TYR X 3 -17.465 6.453 11.566 1.00 0.00 H new ATOM 0 HB3 TYR X 3 -18.535 6.525 10.180 1.00 0.00 H new ATOM 0 HD1 TYR X 3 -18.330 4.801 8.348 1.00 0.00 H new ATOM 0 HD2 TYR X 3 -16.153 4.481 12.036 1.00 0.00 H new ATOM 0 HE1 TYR X 3 -17.909 2.402 7.889 1.00 0.00 H new ATOM 0 HE2 TYR X 3 -15.730 2.079 11.578 1.00 0.00 H new ATOM 0 HH TYR X 3 -16.900 0.520 8.560 1.00 0.00 H new ATOM 58 N LYS X 4 -16.855 6.969 7.349 1.00 0.00 N ATOM 59 CA LYS X 4 -17.400 7.381 6.062 1.00 0.00 C ATOM 60 C LYS X 4 -18.012 6.178 5.352 1.00 0.00 C ATOM 61 O LYS X 4 -17.471 5.074 5.415 1.00 0.00 O ATOM 62 CB LYS X 4 -16.295 7.986 5.194 1.00 0.00 C ATOM 63 CG LYS X 4 -15.933 9.376 5.719 1.00 0.00 C ATOM 64 CD LYS X 4 -14.487 9.703 5.349 1.00 0.00 C ATOM 65 CE LYS X 4 -13.555 9.244 6.472 1.00 0.00 C ATOM 66 NZ LYS X 4 -13.385 10.348 7.458 1.00 0.00 N ATOM 0 H LYS X 4 -16.268 6.136 7.313 1.00 0.00 H new ATOM 0 HA LYS X 4 -18.172 8.132 6.228 1.00 0.00 H new ATOM 0 HB2 LYS X 4 -15.416 7.342 5.205 1.00 0.00 H new ATOM 0 HB3 LYS X 4 -16.628 8.053 4.158 1.00 0.00 H new ATOM 0 HG2 LYS X 4 -16.605 10.122 5.295 1.00 0.00 H new ATOM 0 HG3 LYS X 4 -16.059 9.411 6.801 1.00 0.00 H new ATOM 0 HD2 LYS X 4 -14.219 9.209 4.415 1.00 0.00 H new ATOM 0 HD3 LYS X 4 -14.376 10.775 5.186 1.00 0.00 H new ATOM 0 HE2 LYS X 4 -13.967 8.363 6.964 1.00 0.00 H new ATOM 0 HE3 LYS X 4 -12.587 8.956 6.061 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 -12.865 9.996 8.287 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 -12.852 11.126 7.019 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 -14.319 10.693 7.757 1.00 0.00 H new ATOM 80 N LEU X 5 -19.138 6.389 4.677 1.00 0.00 N ATOM 81 CA LEU X 5 -19.790 5.298 3.971 1.00 0.00 C ATOM 82 C LEU X 5 -20.075 5.693 2.530 1.00 0.00 C ATOM 83 O LEU X 5 -21.019 6.431 2.250 1.00 0.00 O ATOM 84 CB LEU X 5 -21.102 4.935 4.671 1.00 0.00 C ATOM 85 CG LEU X 5 -20.798 4.262 6.011 1.00 0.00 C ATOM 86 CD1 LEU X 5 -21.656 4.896 7.107 1.00 0.00 C ATOM 87 CD2 LEU X 5 -21.115 2.769 5.914 1.00 0.00 C ATOM 0 H LEU X 5 -19.609 7.291 4.606 1.00 0.00 H new ATOM 0 HA LEU X 5 -19.124 4.435 3.976 1.00 0.00 H new ATOM 0 HB2 LEU X 5 -21.701 5.831 4.830 1.00 0.00 H new ATOM 0 HB3 LEU X 5 -21.689 4.266 4.041 1.00 0.00 H new ATOM 0 HG LEU X 5 -19.744 4.395 6.254 1.00 0.00 H new ATOM 0 HD11 LEU X 5 -21.439 4.417 8.062 1.00 0.00 H new ATOM 0 HD12 LEU X 5 -21.430 5.960 7.176 1.00 0.00 H new ATOM 0 HD13 LEU X 5 -22.711 4.764 6.866 1.00 0.00 H new ATOM 0 HD21 LEU X 5 -20.899 2.288 6.868 1.00 0.00 H new ATOM 0 HD22 LEU X 5 -22.169 2.636 5.671 1.00 0.00 H new ATOM 0 HD23 LEU X 5 -20.503 2.317 5.133 1.00 0.00 H new ATOM 99 N ILE X 6 -19.260 5.182 1.618 1.00 0.00 N ATOM 100 CA ILE X 6 -19.438 5.470 0.202 1.00 0.00 C ATOM 101 C ILE X 6 -19.778 4.190 -0.545 1.00 0.00 C ATOM 102 O ILE X 6 -18.920 3.328 -0.733 1.00 0.00 O ATOM 103 CB ILE X 6 -18.162 6.082 -0.379 1.00 0.00 C ATOM 104 CG1 ILE X 6 -18.237 6.057 -1.907 1.00 0.00 C ATOM 105 CG2 ILE X 6 -16.947 5.275 0.084 1.00 0.00 C ATOM 106 CD1 ILE X 6 -17.242 7.066 -2.483 1.00 0.00 C ATOM 0 H ILE X 6 -18.473 4.569 1.832 1.00 0.00 H new ATOM 0 HA ILE X 6 -20.255 6.183 0.089 1.00 0.00 H new ATOM 0 HB ILE X 6 -18.065 7.111 -0.034 1.00 0.00 H new ATOM 0 HG12 ILE X 6 -18.012 5.057 -2.276 1.00 0.00 H new ATOM 0 HG13 ILE X 6 -19.248 6.298 -2.236 1.00 0.00 H new ATOM 0 HG21 ILE X 6 -16.039 5.713 -0.331 1.00 0.00 H new ATOM 0 HG22 ILE X 6 -16.893 5.291 1.173 1.00 0.00 H new ATOM 0 HG23 ILE X 6 -17.042 4.245 -0.259 1.00 0.00 H new ATOM 0 HD11 ILE X 6 -17.295 7.049 -3.572 1.00 0.00 H new ATOM 0 HD12 ILE X 6 -17.488 8.065 -2.124 1.00 0.00 H new ATOM 0 HD13 ILE X 6 -16.233 6.804 -2.165 1.00 0.00 H new ATOM 118 N LEU X 7 -21.028 4.063 -0.974 1.00 0.00 N ATOM 119 CA LEU X 7 -21.439 2.874 -1.698 1.00 0.00 C ATOM 120 C LEU X 7 -21.579 3.185 -3.176 1.00 0.00 C ATOM 121 O LEU X 7 -22.542 3.822 -3.598 1.00 0.00 O ATOM 122 CB LEU X 7 -22.776 2.359 -1.159 1.00 0.00 C ATOM 123 CG LEU X 7 -22.853 2.597 0.350 1.00 0.00 C ATOM 124 CD1 LEU X 7 -23.138 4.077 0.625 1.00 0.00 C ATOM 125 CD2 LEU X 7 -23.980 1.744 0.939 1.00 0.00 C ATOM 0 H LEU X 7 -21.761 4.758 -0.835 1.00 0.00 H new ATOM 0 HA LEU X 7 -20.677 2.107 -1.560 1.00 0.00 H new ATOM 0 HB2 LEU X 7 -23.600 2.868 -1.659 1.00 0.00 H new ATOM 0 HB3 LEU X 7 -22.880 1.296 -1.374 1.00 0.00 H new ATOM 0 HG LEU X 7 -21.904 2.321 0.810 1.00 0.00 H new ATOM 0 HD11 LEU X 7 -23.192 4.243 1.701 1.00 0.00 H new ATOM 0 HD12 LEU X 7 -22.338 4.686 0.204 1.00 0.00 H new ATOM 0 HD13 LEU X 7 -24.087 4.356 0.166 1.00 0.00 H new ATOM 0 HD21 LEU X 7 -24.038 1.911 2.015 1.00 0.00 H new ATOM 0 HD22 LEU X 7 -24.927 2.023 0.477 1.00 0.00 H new ATOM 0 HD23 LEU X 7 -23.778 0.690 0.746 1.00 0.00 H new ATOM 137 N ASN X 8 -20.621 2.714 -3.963 1.00 0.00 N ATOM 138 CA ASN X 8 -20.662 2.934 -5.398 1.00 0.00 C ATOM 139 C ASN X 8 -20.853 1.602 -6.099 1.00 0.00 C ATOM 140 O ASN X 8 -19.974 0.742 -6.065 1.00 0.00 O ATOM 141 CB ASN X 8 -19.361 3.589 -5.870 1.00 0.00 C ATOM 142 CG ASN X 8 -19.371 3.740 -7.388 1.00 0.00 C ATOM 143 OD1 ASN X 8 -20.268 4.374 -7.944 1.00 0.00 O ATOM 144 ND2 ASN X 8 -18.421 3.192 -8.095 1.00 0.00 N ATOM 0 H ASN X 8 -19.815 2.183 -3.634 1.00 0.00 H new ATOM 0 HA ASN X 8 -21.492 3.598 -5.638 1.00 0.00 H new ATOM 0 HB2 ASN X 8 -19.245 4.566 -5.400 1.00 0.00 H new ATOM 0 HB3 ASN X 8 -18.508 2.984 -5.562 1.00 0.00 H new ATOM 0 HD21 ASN X 8 -18.421 3.288 -9.110 1.00 0.00 H new ATOM 0 HD22 ASN X 8 -17.679 2.667 -7.632 1.00 0.00 H new ATOM 151 N GLY X 9 -22.009 1.434 -6.722 1.00 0.00 N ATOM 152 CA GLY X 9 -22.309 0.189 -7.416 1.00 0.00 C ATOM 153 C GLY X 9 -22.735 0.437 -8.856 1.00 0.00 C ATOM 154 O GLY X 9 -22.226 1.339 -9.522 1.00 0.00 O ATOM 0 H GLY X 9 -22.749 2.135 -6.762 1.00 0.00 H new ATOM 0 HA2 GLY X 9 -21.431 -0.456 -7.402 1.00 0.00 H new ATOM 0 HA3 GLY X 9 -23.102 -0.340 -6.888 1.00 0.00 H new ATOM 158 N LYS X 10 -23.669 -0.379 -9.331 1.00 0.00 N ATOM 159 CA LYS X 10 -24.156 -0.251 -10.699 1.00 0.00 C ATOM 160 C LYS X 10 -24.663 1.164 -10.963 1.00 0.00 C ATOM 161 O LYS X 10 -23.941 1.997 -11.508 1.00 0.00 O ATOM 162 CB LYS X 10 -25.277 -1.264 -10.952 1.00 0.00 C ATOM 163 CG LYS X 10 -25.256 -1.695 -12.421 1.00 0.00 C ATOM 164 CD LYS X 10 -24.028 -2.570 -12.683 1.00 0.00 C ATOM 165 CE LYS X 10 -24.381 -3.658 -13.700 1.00 0.00 C ATOM 166 NZ LYS X 10 -23.257 -4.631 -13.796 1.00 0.00 N ATOM 0 H LYS X 10 -24.101 -1.131 -8.794 1.00 0.00 H new ATOM 0 HA LYS X 10 -23.329 -0.453 -11.379 1.00 0.00 H new ATOM 0 HB2 LYS X 10 -25.149 -2.132 -10.306 1.00 0.00 H new ATOM 0 HB3 LYS X 10 -26.243 -0.823 -10.706 1.00 0.00 H new ATOM 0 HG2 LYS X 10 -26.165 -2.246 -12.662 1.00 0.00 H new ATOM 0 HG3 LYS X 10 -25.234 -0.818 -13.067 1.00 0.00 H new ATOM 0 HD2 LYS X 10 -23.207 -1.959 -13.059 1.00 0.00 H new ATOM 0 HD3 LYS X 10 -23.687 -3.024 -11.753 1.00 0.00 H new ATOM 0 HE2 LYS X 10 -25.295 -4.170 -13.398 1.00 0.00 H new ATOM 0 HE3 LYS X 10 -24.573 -3.211 -14.675 1.00 0.00 H new ATOM 0 HZ1 LYS X 10 -23.496 -5.371 -14.487 1.00 0.00 H new ATOM 0 HZ2 LYS X 10 -22.395 -4.136 -14.103 1.00 0.00 H new ATOM 0 HZ3 LYS X 10 -23.094 -5.066 -12.866 1.00 0.00 H new ATOM 180 N THR X 11 -25.908 1.430 -10.580 1.00 0.00 N ATOM 181 CA THR X 11 -26.492 2.749 -10.789 1.00 0.00 C ATOM 182 C THR X 11 -26.712 3.464 -9.458 1.00 0.00 C ATOM 183 O THR X 11 -27.335 4.525 -9.413 1.00 0.00 O ATOM 184 CB THR X 11 -27.829 2.617 -11.523 1.00 0.00 C ATOM 185 OG1 THR X 11 -28.524 1.478 -11.037 1.00 0.00 O ATOM 186 CG2 THR X 11 -27.573 2.461 -13.023 1.00 0.00 C ATOM 0 H THR X 11 -26.526 0.757 -10.128 1.00 0.00 H new ATOM 0 HA THR X 11 -25.799 3.337 -11.391 1.00 0.00 H new ATOM 0 HB THR X 11 -28.430 3.509 -11.350 1.00 0.00 H new ATOM 0 HG1 THR X 11 -29.381 1.393 -11.505 1.00 0.00 H new ATOM 0 HG21 THR X 11 -28.524 2.367 -13.547 1.00 0.00 H new ATOM 0 HG22 THR X 11 -27.040 3.336 -13.394 1.00 0.00 H new ATOM 0 HG23 THR X 11 -26.972 1.569 -13.199 1.00 0.00 H new ATOM 194 N LEU X 12 -26.201 2.881 -8.377 1.00 0.00 N ATOM 195 CA LEU X 12 -26.362 3.483 -7.057 1.00 0.00 C ATOM 196 C LEU X 12 -25.021 3.966 -6.512 1.00 0.00 C ATOM 197 O LEU X 12 -24.130 3.165 -6.226 1.00 0.00 O ATOM 198 CB LEU X 12 -26.976 2.470 -6.087 1.00 0.00 C ATOM 199 CG LEU X 12 -27.167 3.121 -4.714 1.00 0.00 C ATOM 200 CD1 LEU X 12 -27.902 4.455 -4.872 1.00 0.00 C ATOM 201 CD2 LEU X 12 -27.993 2.192 -3.820 1.00 0.00 C ATOM 0 H LEU X 12 -25.679 2.005 -8.387 1.00 0.00 H new ATOM 0 HA LEU X 12 -27.028 4.341 -7.155 1.00 0.00 H new ATOM 0 HB2 LEU X 12 -27.934 2.119 -6.470 1.00 0.00 H new ATOM 0 HB3 LEU X 12 -26.329 1.597 -6.000 1.00 0.00 H new ATOM 0 HG LEU X 12 -26.191 3.296 -4.261 1.00 0.00 H new ATOM 0 HD11 LEU X 12 -28.036 4.915 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU X 12 -27.317 5.119 -5.508 1.00 0.00 H new ATOM 0 HD13 LEU X 12 -28.877 4.282 -5.328 1.00 0.00 H new ATOM 0 HD21 LEU X 12 -28.130 2.654 -2.842 1.00 0.00 H new ATOM 0 HD22 LEU X 12 -28.967 2.017 -4.278 1.00 0.00 H new ATOM 0 HD23 LEU X 12 -27.472 1.242 -3.702 1.00 0.00 H new ATOM 213 N LYS X 13 -24.891 5.280 -6.362 1.00 0.00 N ATOM 214 CA LYS X 13 -23.662 5.866 -5.840 1.00 0.00 C ATOM 215 C LYS X 13 -23.982 7.082 -4.978 1.00 0.00 C ATOM 216 O LYS X 13 -24.847 7.886 -5.326 1.00 0.00 O ATOM 217 CB LYS X 13 -22.749 6.279 -6.997 1.00 0.00 C ATOM 218 CG LYS X 13 -23.218 7.620 -7.565 1.00 0.00 C ATOM 219 CD LYS X 13 -22.777 7.738 -9.027 1.00 0.00 C ATOM 220 CE LYS X 13 -23.666 6.854 -9.905 1.00 0.00 C ATOM 221 NZ LYS X 13 -23.720 7.420 -11.283 1.00 0.00 N ATOM 0 H LYS X 13 -25.618 5.957 -6.593 1.00 0.00 H new ATOM 0 HA LYS X 13 -23.152 5.122 -5.227 1.00 0.00 H new ATOM 0 HB2 LYS X 13 -21.719 6.359 -6.650 1.00 0.00 H new ATOM 0 HB3 LYS X 13 -22.764 5.517 -7.776 1.00 0.00 H new ATOM 0 HG2 LYS X 13 -24.303 7.698 -7.494 1.00 0.00 H new ATOM 0 HG3 LYS X 13 -22.801 8.440 -6.981 1.00 0.00 H new ATOM 0 HD2 LYS X 13 -22.842 8.776 -9.354 1.00 0.00 H new ATOM 0 HD3 LYS X 13 -21.734 7.437 -9.128 1.00 0.00 H new ATOM 0 HE2 LYS X 13 -23.273 5.838 -9.933 1.00 0.00 H new ATOM 0 HE3 LYS X 13 -24.670 6.796 -9.484 1.00 0.00 H new ATOM 0 HZ1 LYS X 13 -24.324 6.821 -11.881 1.00 0.00 H new ATOM 0 HZ2 LYS X 13 -24.114 8.382 -11.248 1.00 0.00 H new ATOM 0 HZ3 LYS X 13 -22.760 7.453 -11.683 1.00 0.00 H new ATOM 235 N GLY X 14 -23.281 7.220 -3.855 1.00 0.00 N ATOM 236 CA GLY X 14 -23.513 8.349 -2.965 1.00 0.00 C ATOM 237 C GLY X 14 -22.410 8.455 -1.920 1.00 0.00 C ATOM 238 O GLY X 14 -21.558 7.574 -1.809 1.00 0.00 O ATOM 0 H GLY X 14 -22.557 6.572 -3.545 1.00 0.00 H new ATOM 0 HA2 GLY X 14 -23.559 9.271 -3.545 1.00 0.00 H new ATOM 0 HA3 GLY X 14 -24.478 8.235 -2.471 1.00 0.00 H new ATOM 242 N GLU X 15 -22.435 9.541 -1.155 1.00 0.00 N ATOM 243 CA GLU X 15 -21.432 9.754 -0.120 1.00 0.00 C ATOM 244 C GLU X 15 -22.091 10.231 1.170 1.00 0.00 C ATOM 245 O GLU X 15 -23.009 11.051 1.144 1.00 0.00 O ATOM 246 CB GLU X 15 -20.414 10.794 -0.589 1.00 0.00 C ATOM 247 CG GLU X 15 -21.132 11.902 -1.362 1.00 0.00 C ATOM 248 CD GLU X 15 -20.216 13.113 -1.506 1.00 0.00 C ATOM 249 OE1 GLU X 15 -19.349 13.279 -0.664 1.00 0.00 O ATOM 250 OE2 GLU X 15 -20.394 13.855 -2.458 1.00 0.00 O ATOM 0 H GLU X 15 -23.133 10.281 -1.231 1.00 0.00 H new ATOM 0 HA GLU X 15 -20.924 8.809 0.071 1.00 0.00 H new ATOM 0 HB2 GLU X 15 -19.889 11.216 0.268 1.00 0.00 H new ATOM 0 HB3 GLU X 15 -19.663 10.323 -1.223 1.00 0.00 H new ATOM 0 HG2 GLU X 15 -21.426 11.538 -2.347 1.00 0.00 H new ATOM 0 HG3 GLU X 15 -22.046 12.187 -0.841 1.00 0.00 H new ATOM 257 N THR X 16 -21.616 9.712 2.297 1.00 0.00 N ATOM 258 CA THR X 16 -22.169 10.093 3.591 1.00 0.00 C ATOM 259 C THR X 16 -21.081 10.102 4.658 1.00 0.00 C ATOM 260 O THR X 16 -19.968 9.629 4.427 1.00 0.00 O ATOM 261 CB THR X 16 -23.274 9.115 3.995 1.00 0.00 C ATOM 262 OG1 THR X 16 -22.858 7.788 3.703 1.00 0.00 O ATOM 263 CG2 THR X 16 -24.550 9.437 3.219 1.00 0.00 C ATOM 0 H THR X 16 -20.856 9.033 2.341 1.00 0.00 H new ATOM 0 HA THR X 16 -22.585 11.097 3.505 1.00 0.00 H new ATOM 0 HB THR X 16 -23.470 9.207 5.063 1.00 0.00 H new ATOM 0 HG1 THR X 16 -23.564 7.159 3.962 1.00 0.00 H new ATOM 0 HG21 THR X 16 -25.337 8.740 3.507 1.00 0.00 H new ATOM 0 HG22 THR X 16 -24.866 10.455 3.445 1.00 0.00 H new ATOM 0 HG23 THR X 16 -24.358 9.346 2.150 1.00 0.00 H new ATOM 271 N THR X 17 -21.409 10.644 5.826 1.00 0.00 N ATOM 272 CA THR X 17 -20.447 10.711 6.919 1.00 0.00 C ATOM 273 C THR X 17 -21.117 10.380 8.249 1.00 0.00 C ATOM 274 O THR X 17 -22.273 10.734 8.480 1.00 0.00 O ATOM 275 CB THR X 17 -19.834 12.110 6.990 1.00 0.00 C ATOM 276 OG1 THR X 17 -20.760 13.056 6.477 1.00 0.00 O ATOM 277 CG2 THR X 17 -18.549 12.148 6.162 1.00 0.00 C ATOM 0 H THR X 17 -22.325 11.040 6.039 1.00 0.00 H new ATOM 0 HA THR X 17 -19.662 9.978 6.730 1.00 0.00 H new ATOM 0 HB THR X 17 -19.602 12.354 8.027 1.00 0.00 H new ATOM 0 HG1 THR X 17 -20.370 13.954 6.523 1.00 0.00 H new ATOM 0 HG21 THR X 17 -18.113 13.146 6.213 1.00 0.00 H new ATOM 0 HG22 THR X 17 -17.840 11.421 6.557 1.00 0.00 H new ATOM 0 HG23 THR X 17 -18.777 11.905 5.124 1.00 0.00 H new ATOM 285 N THR X 18 -20.378 9.700 9.120 1.00 0.00 N ATOM 286 CA THR X 18 -20.903 9.324 10.428 1.00 0.00 C ATOM 287 C THR X 18 -19.768 9.189 11.437 1.00 0.00 C ATOM 288 O THR X 18 -18.703 8.659 11.119 1.00 0.00 O ATOM 289 CB THR X 18 -21.658 7.996 10.328 1.00 0.00 C ATOM 290 OG1 THR X 18 -21.180 7.265 9.209 1.00 0.00 O ATOM 291 CG2 THR X 18 -23.154 8.268 10.163 1.00 0.00 C ATOM 0 H THR X 18 -19.419 9.399 8.945 1.00 0.00 H new ATOM 0 HA THR X 18 -21.586 10.104 10.764 1.00 0.00 H new ATOM 0 HB THR X 18 -21.496 7.416 11.237 1.00 0.00 H new ATOM 0 HG1 THR X 18 -21.263 6.305 9.386 1.00 0.00 H new ATOM 0 HG21 THR X 18 -23.690 7.322 10.092 1.00 0.00 H new ATOM 0 HG22 THR X 18 -23.519 8.828 11.024 1.00 0.00 H new ATOM 0 HG23 THR X 18 -23.320 8.848 9.255 1.00 0.00 H new ATOM 299 N GLU X 19 -20.000 9.671 12.652 1.00 0.00 N ATOM 300 CA GLU X 19 -18.984 9.595 13.695 1.00 0.00 C ATOM 301 C GLU X 19 -19.414 8.631 14.794 1.00 0.00 C ATOM 302 O GLU X 19 -20.282 8.946 15.608 1.00 0.00 O ATOM 303 CB GLU X 19 -18.748 10.982 14.294 1.00 0.00 C ATOM 304 CG GLU X 19 -18.601 12.005 13.166 1.00 0.00 C ATOM 305 CD GLU X 19 -19.931 12.173 12.439 1.00 0.00 C ATOM 306 OE1 GLU X 19 -20.943 11.782 12.997 1.00 0.00 O ATOM 307 OE2 GLU X 19 -19.917 12.689 11.333 1.00 0.00 O ATOM 0 H GLU X 19 -20.873 10.114 12.938 1.00 0.00 H new ATOM 0 HA GLU X 19 -18.059 9.229 13.249 1.00 0.00 H new ATOM 0 HB2 GLU X 19 -19.580 11.256 14.942 1.00 0.00 H new ATOM 0 HB3 GLU X 19 -17.851 10.975 14.913 1.00 0.00 H new ATOM 0 HG2 GLU X 19 -18.276 12.963 13.572 1.00 0.00 H new ATOM 0 HG3 GLU X 19 -17.833 11.678 12.465 1.00 0.00 H new ATOM 314 N ALA X 20 -18.798 7.454 14.811 1.00 0.00 N ATOM 315 CA ALA X 20 -19.120 6.448 15.815 1.00 0.00 C ATOM 316 C ALA X 20 -17.917 5.543 16.069 1.00 0.00 C ATOM 317 O ALA X 20 -17.034 5.416 15.221 1.00 0.00 O ATOM 318 CB ALA X 20 -20.308 5.607 15.346 1.00 0.00 C ATOM 0 H ALA X 20 -18.077 7.175 14.145 1.00 0.00 H new ATOM 0 HA ALA X 20 -19.380 6.955 16.744 1.00 0.00 H new ATOM 0 HB1 ALA X 20 -20.543 4.857 16.101 1.00 0.00 H new ATOM 0 HB2 ALA X 20 -21.173 6.252 15.193 1.00 0.00 H new ATOM 0 HB3 ALA X 20 -20.055 5.111 14.409 1.00 0.00 H new ATOM 324 N VAL X 21 -17.891 4.914 17.240 1.00 0.00 N ATOM 325 CA VAL X 21 -16.791 4.021 17.590 1.00 0.00 C ATOM 326 C VAL X 21 -17.285 2.581 17.685 1.00 0.00 C ATOM 327 O VAL X 21 -16.546 1.684 18.089 1.00 0.00 O ATOM 328 CB VAL X 21 -16.182 4.441 18.929 1.00 0.00 C ATOM 329 CG1 VAL X 21 -16.025 5.961 18.964 1.00 0.00 C ATOM 330 CG2 VAL X 21 -17.102 3.996 20.068 1.00 0.00 C ATOM 0 H VAL X 21 -18.611 5.004 17.957 1.00 0.00 H new ATOM 0 HA VAL X 21 -16.032 4.085 16.810 1.00 0.00 H new ATOM 0 HB VAL X 21 -15.205 3.973 19.047 1.00 0.00 H new ATOM 0 HG11 VAL X 21 -15.591 6.260 19.918 1.00 0.00 H new ATOM 0 HG12 VAL X 21 -15.370 6.278 18.152 1.00 0.00 H new ATOM 0 HG13 VAL X 21 -17.002 6.430 18.847 1.00 0.00 H new ATOM 0 HG21 VAL X 21 -16.669 4.295 21.023 1.00 0.00 H new ATOM 0 HG22 VAL X 21 -18.079 4.464 19.950 1.00 0.00 H new ATOM 0 HG23 VAL X 21 -17.213 2.912 20.043 1.00 0.00 H new ATOM 340 N ASP X 22 -18.541 2.372 17.307 1.00 0.00 N ATOM 341 CA ASP X 22 -19.132 1.039 17.351 1.00 0.00 C ATOM 342 C ASP X 22 -19.354 0.508 15.939 1.00 0.00 C ATOM 343 O ASP X 22 -20.480 0.199 15.550 1.00 0.00 O ATOM 344 CB ASP X 22 -20.465 1.088 18.098 1.00 0.00 C ATOM 345 CG ASP X 22 -20.250 0.730 19.565 1.00 0.00 C ATOM 346 OD1 ASP X 22 -19.459 1.400 20.208 1.00 0.00 O ATOM 347 OD2 ASP X 22 -20.879 -0.209 20.024 1.00 0.00 O ATOM 0 H ASP X 22 -19.167 3.103 16.969 1.00 0.00 H new ATOM 0 HA ASP X 22 -18.447 0.371 17.874 1.00 0.00 H new ATOM 0 HB2 ASP X 22 -20.901 2.084 18.018 1.00 0.00 H new ATOM 0 HB3 ASP X 22 -21.172 0.393 17.645 1.00 0.00 H new ATOM 352 N ALA X 23 -18.271 0.411 15.174 1.00 0.00 N ATOM 353 CA ALA X 23 -18.355 -0.078 13.803 1.00 0.00 C ATOM 354 C ALA X 23 -18.621 -1.581 13.778 1.00 0.00 C ATOM 355 O ALA X 23 -19.224 -2.096 12.837 1.00 0.00 O ATOM 356 CB ALA X 23 -17.050 0.223 13.064 1.00 0.00 C ATOM 0 H ALA X 23 -17.331 0.663 15.478 1.00 0.00 H new ATOM 0 HA ALA X 23 -19.182 0.430 13.308 1.00 0.00 H new ATOM 0 HB1 ALA X 23 -17.119 -0.145 12.040 1.00 0.00 H new ATOM 0 HB2 ALA X 23 -16.878 1.299 13.052 1.00 0.00 H new ATOM 0 HB3 ALA X 23 -16.222 -0.271 13.572 1.00 0.00 H new ATOM 362 N ALA X 24 -18.168 -2.278 14.816 1.00 0.00 N ATOM 363 CA ALA X 24 -18.366 -3.721 14.893 1.00 0.00 C ATOM 364 C ALA X 24 -19.850 -4.049 15.023 1.00 0.00 C ATOM 365 O ALA X 24 -20.359 -4.940 14.343 1.00 0.00 O ATOM 366 CB ALA X 24 -17.606 -4.292 16.093 1.00 0.00 C ATOM 0 H ALA X 24 -17.667 -1.873 15.607 1.00 0.00 H new ATOM 0 HA ALA X 24 -17.984 -4.171 13.977 1.00 0.00 H new ATOM 0 HB1 ALA X 24 -17.760 -5.370 16.142 1.00 0.00 H new ATOM 0 HB2 ALA X 24 -16.542 -4.082 15.983 1.00 0.00 H new ATOM 0 HB3 ALA X 24 -17.974 -3.831 17.010 1.00 0.00 H new ATOM 372 N THR X 25 -20.538 -3.322 15.897 1.00 0.00 N ATOM 373 CA THR X 25 -21.964 -3.541 16.104 1.00 0.00 C ATOM 374 C THR X 25 -22.769 -2.964 14.945 1.00 0.00 C ATOM 375 O THR X 25 -23.705 -3.592 14.449 1.00 0.00 O ATOM 376 CB THR X 25 -22.414 -2.880 17.411 1.00 0.00 C ATOM 377 OG1 THR X 25 -22.666 -1.501 17.178 1.00 0.00 O ATOM 378 CG2 THR X 25 -21.321 -3.028 18.469 1.00 0.00 C ATOM 0 H THR X 25 -20.134 -2.581 16.470 1.00 0.00 H new ATOM 0 HA THR X 25 -22.139 -4.615 16.159 1.00 0.00 H new ATOM 0 HB THR X 25 -23.324 -3.364 17.766 1.00 0.00 H new ATOM 0 HG1 THR X 25 -22.956 -1.076 18.012 1.00 0.00 H new ATOM 0 HG21 THR X 25 -21.646 -2.556 19.396 1.00 0.00 H new ATOM 0 HG22 THR X 25 -21.129 -4.086 18.648 1.00 0.00 H new ATOM 0 HG23 THR X 25 -20.408 -2.548 18.118 1.00 0.00 H new ATOM 386 N ALA X 26 -22.398 -1.760 14.522 1.00 0.00 N ATOM 387 CA ALA X 26 -23.090 -1.091 13.426 1.00 0.00 C ATOM 388 C ALA X 26 -22.960 -1.887 12.129 1.00 0.00 C ATOM 389 O ALA X 26 -23.908 -1.982 11.354 1.00 0.00 O ATOM 390 CB ALA X 26 -22.507 0.307 13.222 1.00 0.00 C ATOM 0 H ALA X 26 -21.624 -1.228 14.920 1.00 0.00 H new ATOM 0 HA ALA X 26 -24.146 -1.018 13.686 1.00 0.00 H new ATOM 0 HB1 ALA X 26 -23.027 0.802 12.402 1.00 0.00 H new ATOM 0 HB2 ALA X 26 -22.631 0.890 14.135 1.00 0.00 H new ATOM 0 HB3 ALA X 26 -21.446 0.228 12.983 1.00 0.00 H new ATOM 396 N GLU X 27 -21.775 -2.439 11.892 1.00 0.00 N ATOM 397 CA GLU X 27 -21.523 -3.206 10.674 1.00 0.00 C ATOM 398 C GLU X 27 -22.496 -4.376 10.526 1.00 0.00 C ATOM 399 O GLU X 27 -22.998 -4.638 9.433 1.00 0.00 O ATOM 400 CB GLU X 27 -20.092 -3.746 10.690 1.00 0.00 C ATOM 401 CG GLU X 27 -19.112 -2.625 10.337 1.00 0.00 C ATOM 402 CD GLU X 27 -17.766 -2.882 11.005 1.00 0.00 C ATOM 403 OE1 GLU X 27 -17.667 -3.852 11.738 1.00 0.00 O ATOM 404 OE2 GLU X 27 -16.854 -2.106 10.773 1.00 0.00 O ATOM 0 H GLU X 27 -20.976 -2.371 12.523 1.00 0.00 H new ATOM 0 HA GLU X 27 -21.666 -2.534 9.828 1.00 0.00 H new ATOM 0 HB2 GLU X 27 -19.857 -4.151 11.675 1.00 0.00 H new ATOM 0 HB3 GLU X 27 -19.994 -4.565 9.977 1.00 0.00 H new ATOM 0 HG2 GLU X 27 -18.986 -2.568 9.256 1.00 0.00 H new ATOM 0 HG3 GLU X 27 -19.512 -1.665 10.663 1.00 0.00 H new ATOM 411 N LYS X 28 -22.740 -5.090 11.619 1.00 0.00 N ATOM 412 CA LYS X 28 -23.635 -6.245 11.580 1.00 0.00 C ATOM 413 C LYS X 28 -25.085 -5.829 11.334 1.00 0.00 C ATOM 414 O LYS X 28 -25.779 -6.432 10.516 1.00 0.00 O ATOM 415 CB LYS X 28 -23.542 -7.013 12.902 1.00 0.00 C ATOM 416 CG LYS X 28 -23.048 -8.439 12.638 1.00 0.00 C ATOM 417 CD LYS X 28 -24.165 -9.256 11.986 1.00 0.00 C ATOM 418 CE LYS X 28 -23.953 -10.742 12.288 1.00 0.00 C ATOM 419 NZ LYS X 28 -23.892 -10.945 13.763 1.00 0.00 N ATOM 0 H LYS X 28 -22.336 -4.894 12.535 1.00 0.00 H new ATOM 0 HA LYS X 28 -23.322 -6.882 10.753 1.00 0.00 H new ATOM 0 HB2 LYS X 28 -22.861 -6.502 13.583 1.00 0.00 H new ATOM 0 HB3 LYS X 28 -24.518 -7.040 13.387 1.00 0.00 H new ATOM 0 HG2 LYS X 28 -22.173 -8.417 11.989 1.00 0.00 H new ATOM 0 HG3 LYS X 28 -22.740 -8.907 13.573 1.00 0.00 H new ATOM 0 HD2 LYS X 28 -25.135 -8.932 12.363 1.00 0.00 H new ATOM 0 HD3 LYS X 28 -24.170 -9.090 10.909 1.00 0.00 H new ATOM 0 HE2 LYS X 28 -24.766 -11.330 11.862 1.00 0.00 H new ATOM 0 HE3 LYS X 28 -23.030 -11.091 11.824 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 -24.358 -11.841 14.010 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 -22.898 -10.976 14.068 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 -24.377 -10.159 14.242 1.00 0.00 H new ATOM 433 N VAL X 29 -25.543 -4.814 12.057 1.00 0.00 N ATOM 434 CA VAL X 29 -26.921 -4.350 11.917 1.00 0.00 C ATOM 435 C VAL X 29 -27.166 -3.699 10.555 1.00 0.00 C ATOM 436 O VAL X 29 -28.185 -3.956 9.914 1.00 0.00 O ATOM 437 CB VAL X 29 -27.248 -3.352 13.031 1.00 0.00 C ATOM 438 CG1 VAL X 29 -26.163 -2.280 13.088 1.00 0.00 C ATOM 439 CG2 VAL X 29 -28.600 -2.695 12.748 1.00 0.00 C ATOM 0 H VAL X 29 -24.988 -4.299 12.741 1.00 0.00 H new ATOM 0 HA VAL X 29 -27.573 -5.220 11.994 1.00 0.00 H new ATOM 0 HB VAL X 29 -27.292 -3.876 13.986 1.00 0.00 H new ATOM 0 HG11 VAL X 29 -26.395 -1.569 13.881 1.00 0.00 H new ATOM 0 HG12 VAL X 29 -25.200 -2.748 13.291 1.00 0.00 H new ATOM 0 HG13 VAL X 29 -26.118 -1.756 12.133 1.00 0.00 H new ATOM 0 HG21 VAL X 29 -28.832 -1.985 13.541 1.00 0.00 H new ATOM 0 HG22 VAL X 29 -28.557 -2.171 11.793 1.00 0.00 H new ATOM 0 HG23 VAL X 29 -29.375 -3.460 12.708 1.00 0.00 H new ATOM 449 N PHE X 30 -26.239 -2.848 10.117 1.00 0.00 N ATOM 450 CA PHE X 30 -26.396 -2.168 8.832 1.00 0.00 C ATOM 451 C PHE X 30 -26.422 -3.171 7.681 1.00 0.00 C ATOM 452 O PHE X 30 -27.153 -2.989 6.710 1.00 0.00 O ATOM 453 CB PHE X 30 -25.255 -1.168 8.614 1.00 0.00 C ATOM 454 CG PHE X 30 -25.824 0.209 8.352 1.00 0.00 C ATOM 455 CD1 PHE X 30 -26.375 0.948 9.404 1.00 0.00 C ATOM 456 CD2 PHE X 30 -25.801 0.742 7.057 1.00 0.00 C ATOM 457 CE1 PHE X 30 -26.903 2.222 9.163 1.00 0.00 C ATOM 458 CE2 PHE X 30 -26.330 2.016 6.816 1.00 0.00 C ATOM 459 CZ PHE X 30 -26.881 2.757 7.869 1.00 0.00 C ATOM 0 H PHE X 30 -25.385 -2.615 10.623 1.00 0.00 H new ATOM 0 HA PHE X 30 -27.346 -1.634 8.852 1.00 0.00 H new ATOM 0 HB2 PHE X 30 -24.608 -1.143 9.491 1.00 0.00 H new ATOM 0 HB3 PHE X 30 -24.639 -1.483 7.772 1.00 0.00 H new ATOM 0 HD1 PHE X 30 -26.393 0.536 10.402 1.00 0.00 H new ATOM 0 HD2 PHE X 30 -25.376 0.171 6.245 1.00 0.00 H new ATOM 0 HE1 PHE X 30 -27.328 2.793 9.976 1.00 0.00 H new ATOM 0 HE2 PHE X 30 -26.313 2.427 5.818 1.00 0.00 H new ATOM 0 HZ PHE X 30 -27.288 3.740 7.683 1.00 0.00 H new ATOM 469 N LYS X 31 -25.625 -4.228 7.793 1.00 0.00 N ATOM 470 CA LYS X 31 -25.581 -5.240 6.743 1.00 0.00 C ATOM 471 C LYS X 31 -26.971 -5.826 6.525 1.00 0.00 C ATOM 472 O LYS X 31 -27.426 -5.972 5.390 1.00 0.00 O ATOM 473 CB LYS X 31 -24.608 -6.358 7.131 1.00 0.00 C ATOM 474 CG LYS X 31 -23.367 -6.297 6.236 1.00 0.00 C ATOM 475 CD LYS X 31 -22.560 -7.588 6.392 1.00 0.00 C ATOM 476 CE LYS X 31 -21.181 -7.411 5.751 1.00 0.00 C ATOM 477 NZ LYS X 31 -20.994 -8.433 4.683 1.00 0.00 N ATOM 0 H LYS X 31 -25.010 -4.406 8.587 1.00 0.00 H new ATOM 0 HA LYS X 31 -25.239 -4.772 5.820 1.00 0.00 H new ATOM 0 HB2 LYS X 31 -24.319 -6.255 8.177 1.00 0.00 H new ATOM 0 HB3 LYS X 31 -25.094 -7.328 7.029 1.00 0.00 H new ATOM 0 HG2 LYS X 31 -23.663 -6.164 5.195 1.00 0.00 H new ATOM 0 HG3 LYS X 31 -22.753 -5.437 6.505 1.00 0.00 H new ATOM 0 HD2 LYS X 31 -22.452 -7.836 7.448 1.00 0.00 H new ATOM 0 HD3 LYS X 31 -23.087 -8.418 5.921 1.00 0.00 H new ATOM 0 HE2 LYS X 31 -21.090 -6.409 5.331 1.00 0.00 H new ATOM 0 HE3 LYS X 31 -20.402 -7.512 6.506 1.00 0.00 H new ATOM 0 HZ1 LYS X 31 -20.639 -7.973 3.821 1.00 0.00 H new ATOM 0 HZ2 LYS X 31 -20.308 -9.147 5.002 1.00 0.00 H new ATOM 0 HZ3 LYS X 31 -21.904 -8.893 4.480 1.00 0.00 H new ATOM 491 N GLN X 32 -27.640 -6.153 7.623 1.00 0.00 N ATOM 492 CA GLN X 32 -28.981 -6.720 7.554 1.00 0.00 C ATOM 493 C GLN X 32 -30.005 -5.651 7.177 1.00 0.00 C ATOM 494 O GLN X 32 -30.819 -5.851 6.275 1.00 0.00 O ATOM 495 CB GLN X 32 -29.356 -7.338 8.903 1.00 0.00 C ATOM 496 CG GLN X 32 -29.291 -8.863 8.805 1.00 0.00 C ATOM 497 CD GLN X 32 -29.149 -9.472 10.195 1.00 0.00 C ATOM 498 OE1 GLN X 32 -28.859 -10.662 10.327 1.00 0.00 O ATOM 499 NE2 GLN X 32 -29.337 -8.724 11.248 1.00 0.00 N ATOM 0 H GLN X 32 -27.278 -6.036 8.569 1.00 0.00 H new ATOM 0 HA GLN X 32 -28.986 -7.492 6.785 1.00 0.00 H new ATOM 0 HB2 GLN X 32 -28.676 -6.984 9.678 1.00 0.00 H new ATOM 0 HB3 GLN X 32 -30.359 -7.025 9.192 1.00 0.00 H new ATOM 0 HG2 GLN X 32 -30.192 -9.243 8.323 1.00 0.00 H new ATOM 0 HG3 GLN X 32 -28.447 -9.159 8.182 1.00 0.00 H new ATOM 0 HE21 GLN X 32 -29.577 -7.739 11.137 1.00 0.00 H new ATOM 0 HE22 GLN X 32 -29.244 -9.125 12.181 1.00 0.00 H new ATOM 508 N TYR X 33 -29.965 -4.518 7.876 1.00 0.00 N ATOM 509 CA TYR X 33 -30.904 -3.432 7.606 1.00 0.00 C ATOM 510 C TYR X 33 -30.662 -2.836 6.221 1.00 0.00 C ATOM 511 O TYR X 33 -31.607 -2.596 5.469 1.00 0.00 O ATOM 512 CB TYR X 33 -30.764 -2.337 8.668 1.00 0.00 C ATOM 513 CG TYR X 33 -31.923 -2.420 9.635 1.00 0.00 C ATOM 514 CD1 TYR X 33 -33.128 -1.767 9.343 1.00 0.00 C ATOM 515 CD2 TYR X 33 -31.795 -3.150 10.824 1.00 0.00 C ATOM 516 CE1 TYR X 33 -34.202 -1.845 10.238 1.00 0.00 C ATOM 517 CE2 TYR X 33 -32.869 -3.228 11.719 1.00 0.00 C ATOM 518 CZ TYR X 33 -34.073 -2.576 11.426 1.00 0.00 C ATOM 519 OH TYR X 33 -35.131 -2.652 12.308 1.00 0.00 O ATOM 0 H TYR X 33 -29.300 -4.329 8.626 1.00 0.00 H new ATOM 0 HA TYR X 33 -31.914 -3.841 7.639 1.00 0.00 H new ATOM 0 HB2 TYR X 33 -29.821 -2.453 9.203 1.00 0.00 H new ATOM 0 HB3 TYR X 33 -30.742 -1.356 8.193 1.00 0.00 H new ATOM 0 HD1 TYR X 33 -33.228 -1.203 8.427 1.00 0.00 H new ATOM 0 HD2 TYR X 33 -30.867 -3.653 11.051 1.00 0.00 H new ATOM 0 HE1 TYR X 33 -35.130 -1.341 10.012 1.00 0.00 H new ATOM 0 HE2 TYR X 33 -32.769 -3.791 12.635 1.00 0.00 H new ATOM 0 HH TYR X 33 -34.875 -3.198 13.080 1.00 0.00 H new ATOM 529 N ALA X 34 -29.397 -2.603 5.884 1.00 0.00 N ATOM 530 CA ALA X 34 -29.061 -2.041 4.583 1.00 0.00 C ATOM 531 C ALA X 34 -29.448 -3.022 3.486 1.00 0.00 C ATOM 532 O ALA X 34 -29.996 -2.632 2.454 1.00 0.00 O ATOM 533 CB ALA X 34 -27.563 -1.738 4.509 1.00 0.00 C ATOM 0 H ALA X 34 -28.597 -2.793 6.487 1.00 0.00 H new ATOM 0 HA ALA X 34 -29.613 -1.111 4.445 1.00 0.00 H new ATOM 0 HB1 ALA X 34 -27.325 -1.318 3.532 1.00 0.00 H new ATOM 0 HB2 ALA X 34 -27.298 -1.021 5.286 1.00 0.00 H new ATOM 0 HB3 ALA X 34 -26.998 -2.658 4.656 1.00 0.00 H new ATOM 539 N ASN X 35 -29.179 -4.302 3.725 1.00 0.00 N ATOM 540 CA ASN X 35 -29.526 -5.332 2.758 1.00 0.00 C ATOM 541 C ASN X 35 -31.037 -5.368 2.582 1.00 0.00 C ATOM 542 O ASN X 35 -31.542 -5.516 1.470 1.00 0.00 O ATOM 543 CB ASN X 35 -29.024 -6.697 3.234 1.00 0.00 C ATOM 544 CG ASN X 35 -27.511 -6.785 3.070 1.00 0.00 C ATOM 545 OD1 ASN X 35 -26.856 -7.568 3.759 1.00 0.00 O ATOM 546 ND2 ASN X 35 -26.910 -6.026 2.193 1.00 0.00 N ATOM 0 H ASN X 35 -28.726 -4.646 4.572 1.00 0.00 H new ATOM 0 HA ASN X 35 -29.053 -5.102 1.804 1.00 0.00 H new ATOM 0 HB2 ASN X 35 -29.294 -6.848 4.279 1.00 0.00 H new ATOM 0 HB3 ASN X 35 -29.506 -7.490 2.663 1.00 0.00 H new ATOM 0 HD21 ASN X 35 -25.898 -6.082 2.079 1.00 0.00 H new ATOM 0 HD22 ASN X 35 -27.453 -5.378 1.623 1.00 0.00 H new ATOM 553 N ASP X 36 -31.754 -5.207 3.692 1.00 0.00 N ATOM 554 CA ASP X 36 -33.208 -5.199 3.650 1.00 0.00 C ATOM 555 C ASP X 36 -33.683 -4.043 2.782 1.00 0.00 C ATOM 556 O ASP X 36 -34.759 -4.093 2.189 1.00 0.00 O ATOM 557 CB ASP X 36 -33.774 -5.049 5.064 1.00 0.00 C ATOM 558 CG ASP X 36 -35.298 -5.021 5.014 1.00 0.00 C ATOM 559 OD1 ASP X 36 -35.889 -6.087 4.987 1.00 0.00 O ATOM 560 OD2 ASP X 36 -35.850 -3.934 5.003 1.00 0.00 O ATOM 0 H ASP X 36 -31.353 -5.082 4.622 1.00 0.00 H new ATOM 0 HA ASP X 36 -33.559 -6.141 3.228 1.00 0.00 H new ATOM 0 HB2 ASP X 36 -33.437 -5.876 5.689 1.00 0.00 H new ATOM 0 HB3 ASP X 36 -33.400 -4.132 5.519 1.00 0.00 H new ATOM 565 N ASN X 37 -32.856 -3.004 2.708 1.00 0.00 N ATOM 566 CA ASN X 37 -33.181 -1.837 1.902 1.00 0.00 C ATOM 567 C ASN X 37 -32.735 -2.062 0.463 1.00 0.00 C ATOM 568 O ASN X 37 -33.017 -1.254 -0.422 1.00 0.00 O ATOM 569 CB ASN X 37 -32.487 -0.597 2.467 1.00 0.00 C ATOM 570 CG ASN X 37 -32.907 0.635 1.673 1.00 0.00 C ATOM 571 OD1 ASN X 37 -32.088 1.235 0.978 1.00 0.00 O ATOM 572 ND2 ASN X 37 -34.143 1.050 1.737 1.00 0.00 N ATOM 0 H ASN X 37 -31.961 -2.948 3.194 1.00 0.00 H new ATOM 0 HA ASN X 37 -34.260 -1.683 1.926 1.00 0.00 H new ATOM 0 HB2 ASN X 37 -32.747 -0.470 3.518 1.00 0.00 H new ATOM 0 HB3 ASN X 37 -31.405 -0.721 2.419 1.00 0.00 H new ATOM 0 HD21 ASN X 37 -34.432 1.874 1.210 1.00 0.00 H new ATOM 0 HD22 ASN X 37 -34.820 0.550 2.314 1.00 0.00 H new ATOM 579 N GLY X 38 -32.041 -3.174 0.237 1.00 0.00 N ATOM 580 CA GLY X 38 -31.565 -3.509 -1.098 1.00 0.00 C ATOM 581 C GLY X 38 -30.132 -3.034 -1.320 1.00 0.00 C ATOM 582 O GLY X 38 -29.694 -2.891 -2.461 1.00 0.00 O ATOM 0 H GLY X 38 -31.798 -3.854 0.958 1.00 0.00 H new ATOM 0 HA2 GLY X 38 -31.618 -4.588 -1.243 1.00 0.00 H new ATOM 0 HA3 GLY X 38 -32.219 -3.055 -1.842 1.00 0.00 H new ATOM 586 N VAL X 39 -29.398 -2.802 -0.234 1.00 0.00 N ATOM 587 CA VAL X 39 -28.013 -2.359 -0.361 1.00 0.00 C ATOM 588 C VAL X 39 -27.095 -3.569 -0.499 1.00 0.00 C ATOM 589 O VAL X 39 -26.886 -4.312 0.460 1.00 0.00 O ATOM 590 CB VAL X 39 -27.609 -1.543 0.867 1.00 0.00 C ATOM 591 CG1 VAL X 39 -26.096 -1.314 0.857 1.00 0.00 C ATOM 592 CG2 VAL X 39 -28.328 -0.192 0.837 1.00 0.00 C ATOM 0 H VAL X 39 -29.730 -2.911 0.724 1.00 0.00 H new ATOM 0 HA VAL X 39 -27.921 -1.734 -1.249 1.00 0.00 H new ATOM 0 HB VAL X 39 -27.886 -2.086 1.770 1.00 0.00 H new ATOM 0 HG11 VAL X 39 -25.810 -0.732 1.733 1.00 0.00 H new ATOM 0 HG12 VAL X 39 -25.582 -2.275 0.876 1.00 0.00 H new ATOM 0 HG13 VAL X 39 -25.816 -0.771 -0.046 1.00 0.00 H new ATOM 0 HG21 VAL X 39 -28.042 0.392 1.712 1.00 0.00 H new ATOM 0 HG22 VAL X 39 -28.049 0.349 -0.067 1.00 0.00 H new ATOM 0 HG23 VAL X 39 -29.406 -0.353 0.845 1.00 0.00 H new ATOM 602 N ASP X 40 -26.556 -3.767 -1.699 1.00 0.00 N ATOM 603 CA ASP X 40 -25.674 -4.899 -1.947 1.00 0.00 C ATOM 604 C ASP X 40 -24.353 -4.444 -2.557 1.00 0.00 C ATOM 605 O ASP X 40 -24.220 -3.304 -3.002 1.00 0.00 O ATOM 606 CB ASP X 40 -26.359 -5.891 -2.887 1.00 0.00 C ATOM 607 CG ASP X 40 -27.706 -6.311 -2.307 1.00 0.00 C ATOM 608 OD1 ASP X 40 -28.540 -5.442 -2.111 1.00 0.00 O ATOM 609 OD2 ASP X 40 -27.883 -7.493 -2.068 1.00 0.00 O ATOM 0 H ASP X 40 -26.713 -3.164 -2.506 1.00 0.00 H new ATOM 0 HA ASP X 40 -25.462 -5.381 -0.993 1.00 0.00 H new ATOM 0 HB2 ASP X 40 -26.501 -5.437 -3.868 1.00 0.00 H new ATOM 0 HB3 ASP X 40 -25.726 -6.767 -3.030 1.00 0.00 H new ATOM 614 N GLY X 41 -23.385 -5.351 -2.582 1.00 0.00 N ATOM 615 CA GLY X 41 -22.080 -5.051 -3.148 1.00 0.00 C ATOM 616 C GLY X 41 -20.973 -5.744 -2.366 1.00 0.00 C ATOM 617 O GLY X 41 -21.213 -6.735 -1.676 1.00 0.00 O ATOM 0 H GLY X 41 -23.480 -6.299 -2.217 1.00 0.00 H new ATOM 0 HA2 GLY X 41 -22.049 -5.371 -4.190 1.00 0.00 H new ATOM 0 HA3 GLY X 41 -21.916 -3.974 -3.141 1.00 0.00 H new ATOM 621 N GLU X 42 -19.760 -5.216 -2.474 1.00 0.00 N ATOM 622 CA GLU X 42 -18.627 -5.794 -1.768 1.00 0.00 C ATOM 623 C GLU X 42 -18.192 -4.861 -0.647 1.00 0.00 C ATOM 624 O GLU X 42 -17.773 -3.733 -0.897 1.00 0.00 O ATOM 625 CB GLU X 42 -17.464 -6.021 -2.738 1.00 0.00 C ATOM 626 CG GLU X 42 -16.425 -6.944 -2.095 1.00 0.00 C ATOM 627 CD GLU X 42 -15.787 -7.832 -3.159 1.00 0.00 C ATOM 628 OE1 GLU X 42 -16.083 -7.632 -4.326 1.00 0.00 O ATOM 629 OE2 GLU X 42 -15.012 -8.700 -2.790 1.00 0.00 O ATOM 0 H GLU X 42 -19.538 -4.396 -3.039 1.00 0.00 H new ATOM 0 HA GLU X 42 -18.923 -6.753 -1.343 1.00 0.00 H new ATOM 0 HB2 GLU X 42 -17.832 -6.462 -3.664 1.00 0.00 H new ATOM 0 HB3 GLU X 42 -17.005 -5.068 -2.999 1.00 0.00 H new ATOM 0 HG2 GLU X 42 -15.658 -6.351 -1.597 1.00 0.00 H new ATOM 0 HG3 GLU X 42 -16.898 -7.561 -1.330 1.00 0.00 H new ATOM 636 N TRP X 43 -18.308 -5.330 0.588 1.00 0.00 N ATOM 637 CA TRP X 43 -17.940 -4.509 1.734 1.00 0.00 C ATOM 638 C TRP X 43 -16.604 -4.949 2.322 1.00 0.00 C ATOM 639 O TRP X 43 -16.234 -6.121 2.254 1.00 0.00 O ATOM 640 CB TRP X 43 -19.029 -4.601 2.806 1.00 0.00 C ATOM 641 CG TRP X 43 -20.250 -5.244 2.225 1.00 0.00 C ATOM 642 CD1 TRP X 43 -21.443 -4.630 2.047 1.00 0.00 C ATOM 643 CD2 TRP X 43 -20.419 -6.610 1.746 1.00 0.00 C ATOM 644 NE1 TRP X 43 -22.334 -5.532 1.490 1.00 0.00 N ATOM 645 CE2 TRP X 43 -21.749 -6.767 1.287 1.00 0.00 C ATOM 646 CE3 TRP X 43 -19.557 -7.718 1.669 1.00 0.00 C ATOM 647 CZ2 TRP X 43 -22.206 -7.978 0.765 1.00 0.00 C ATOM 648 CZ3 TRP X 43 -20.013 -8.939 1.146 1.00 0.00 C ATOM 649 CH2 TRP X 43 -21.335 -9.069 0.696 1.00 0.00 C ATOM 0 H TRP X 43 -18.649 -6.263 0.821 1.00 0.00 H new ATOM 0 HA TRP X 43 -17.841 -3.478 1.396 1.00 0.00 H new ATOM 0 HB2 TRP X 43 -18.669 -5.181 3.656 1.00 0.00 H new ATOM 0 HB3 TRP X 43 -19.272 -3.606 3.179 1.00 0.00 H new ATOM 0 HD1 TRP X 43 -21.664 -3.603 2.299 1.00 0.00 H new ATOM 0 HE1 TRP X 43 -23.303 -5.312 1.258 1.00 0.00 H new ATOM 0 HE3 TRP X 43 -18.538 -7.630 2.014 1.00 0.00 H new ATOM 0 HZ2 TRP X 43 -23.224 -8.071 0.417 1.00 0.00 H new ATOM 0 HZ3 TRP X 43 -19.342 -9.783 1.090 1.00 0.00 H new ATOM 0 HH2 TRP X 43 -21.680 -10.011 0.296 1.00 0.00 H new ATOM 660 N THR X 44 -15.883 -3.989 2.893 1.00 0.00 N ATOM 661 CA THR X 44 -14.582 -4.264 3.492 1.00 0.00 C ATOM 662 C THR X 44 -14.303 -3.285 4.627 1.00 0.00 C ATOM 663 O THR X 44 -15.023 -2.301 4.802 1.00 0.00 O ATOM 664 CB THR X 44 -13.484 -4.145 2.434 1.00 0.00 C ATOM 665 OG1 THR X 44 -14.070 -4.165 1.140 1.00 0.00 O ATOM 666 CG2 THR X 44 -12.510 -5.316 2.574 1.00 0.00 C ATOM 0 H THR X 44 -16.178 -3.014 2.953 1.00 0.00 H new ATOM 0 HA THR X 44 -14.592 -5.278 3.892 1.00 0.00 H new ATOM 0 HB THR X 44 -12.945 -3.208 2.573 1.00 0.00 H new ATOM 0 HG1 THR X 44 -13.367 -4.087 0.461 1.00 0.00 H new ATOM 0 HG21 THR X 44 -11.728 -5.231 1.820 1.00 0.00 H new ATOM 0 HG22 THR X 44 -12.060 -5.299 3.567 1.00 0.00 H new ATOM 0 HG23 THR X 44 -13.047 -6.254 2.435 1.00 0.00 H new ATOM 674 N TYR X 45 -13.255 -3.560 5.396 1.00 0.00 N ATOM 675 CA TYR X 45 -12.892 -2.696 6.513 1.00 0.00 C ATOM 676 C TYR X 45 -11.634 -1.894 6.187 1.00 0.00 C ATOM 677 O TYR X 45 -10.520 -2.413 6.261 1.00 0.00 O ATOM 678 CB TYR X 45 -12.652 -3.545 7.764 1.00 0.00 C ATOM 679 CG TYR X 45 -13.154 -4.947 7.515 1.00 0.00 C ATOM 680 CD1 TYR X 45 -12.338 -5.876 6.857 1.00 0.00 C ATOM 681 CD2 TYR X 45 -14.436 -5.319 7.937 1.00 0.00 C ATOM 682 CE1 TYR X 45 -12.804 -7.174 6.620 1.00 0.00 C ATOM 683 CE2 TYR X 45 -14.902 -6.619 7.701 1.00 0.00 C ATOM 684 CZ TYR X 45 -14.085 -7.546 7.042 1.00 0.00 C ATOM 685 OH TYR X 45 -14.544 -8.827 6.808 1.00 0.00 O ATOM 0 H TYR X 45 -12.646 -4.368 5.268 1.00 0.00 H new ATOM 0 HA TYR X 45 -13.711 -2.000 6.695 1.00 0.00 H new ATOM 0 HB2 TYR X 45 -11.590 -3.564 8.007 1.00 0.00 H new ATOM 0 HB3 TYR X 45 -13.167 -3.108 8.619 1.00 0.00 H new ATOM 0 HD1 TYR X 45 -11.348 -5.590 6.532 1.00 0.00 H new ATOM 0 HD2 TYR X 45 -15.066 -4.604 8.445 1.00 0.00 H new ATOM 0 HE1 TYR X 45 -12.175 -7.889 6.111 1.00 0.00 H new ATOM 0 HE2 TYR X 45 -15.891 -6.906 8.027 1.00 0.00 H new ATOM 0 HH TYR X 45 -15.452 -8.920 7.166 1.00 0.00 H new ATOM 695 N ASP X 46 -11.820 -0.626 5.830 1.00 0.00 N ATOM 696 CA ASP X 46 -10.692 0.238 5.499 1.00 0.00 C ATOM 697 C ASP X 46 -10.275 1.058 6.716 1.00 0.00 C ATOM 698 O ASP X 46 -11.121 1.517 7.485 1.00 0.00 O ATOM 699 CB ASP X 46 -11.069 1.177 4.351 1.00 0.00 C ATOM 700 CG ASP X 46 -10.007 1.119 3.258 1.00 0.00 C ATOM 701 OD1 ASP X 46 -8.835 1.092 3.597 1.00 0.00 O ATOM 702 OD2 ASP X 46 -10.381 1.107 2.096 1.00 0.00 O ATOM 0 H ASP X 46 -12.734 -0.177 5.763 1.00 0.00 H new ATOM 0 HA ASP X 46 -9.855 -0.389 5.191 1.00 0.00 H new ATOM 0 HB2 ASP X 46 -12.039 0.894 3.942 1.00 0.00 H new ATOM 0 HB3 ASP X 46 -11.165 2.197 4.722 1.00 0.00 H new ATOM 707 N ASP X 47 -8.969 1.237 6.888 1.00 0.00 N ATOM 708 CA ASP X 47 -8.456 2.001 8.018 1.00 0.00 C ATOM 709 C ASP X 47 -7.541 3.125 7.540 1.00 0.00 C ATOM 710 O ASP X 47 -7.456 4.178 8.170 1.00 0.00 O ATOM 711 CB ASP X 47 -7.682 1.080 8.964 1.00 0.00 C ATOM 712 CG ASP X 47 -8.408 -0.254 9.100 1.00 0.00 C ATOM 713 OD1 ASP X 47 -9.600 -0.234 9.357 1.00 0.00 O ATOM 714 OD2 ASP X 47 -7.760 -1.276 8.945 1.00 0.00 O ATOM 0 H ASP X 47 -8.252 0.866 6.264 1.00 0.00 H new ATOM 0 HA ASP X 47 -9.303 2.439 8.547 1.00 0.00 H new ATOM 0 HB2 ASP X 47 -6.674 0.918 8.583 1.00 0.00 H new ATOM 0 HB3 ASP X 47 -7.582 1.551 9.942 1.00 0.00 H new ATOM 719 N ALA X 48 -6.856 2.893 6.424 1.00 0.00 N ATOM 720 CA ALA X 48 -5.951 3.899 5.879 1.00 0.00 C ATOM 721 C ALA X 48 -6.686 5.219 5.668 1.00 0.00 C ATOM 722 O ALA X 48 -6.125 6.294 5.874 1.00 0.00 O ATOM 723 CB ALA X 48 -5.370 3.414 4.548 1.00 0.00 C ATOM 0 H ALA X 48 -6.909 2.028 5.885 1.00 0.00 H new ATOM 0 HA ALA X 48 -5.140 4.057 6.590 1.00 0.00 H new ATOM 0 HB1 ALA X 48 -4.695 4.171 4.148 1.00 0.00 H new ATOM 0 HB2 ALA X 48 -4.821 2.486 4.707 1.00 0.00 H new ATOM 0 HB3 ALA X 48 -6.180 3.239 3.840 1.00 0.00 H new ATOM 729 N THR X 49 -7.947 5.126 5.259 1.00 0.00 N ATOM 730 CA THR X 49 -8.756 6.316 5.028 1.00 0.00 C ATOM 731 C THR X 49 -9.977 6.312 5.942 1.00 0.00 C ATOM 732 O THR X 49 -10.771 7.252 5.939 1.00 0.00 O ATOM 733 CB THR X 49 -9.209 6.366 3.566 1.00 0.00 C ATOM 734 OG1 THR X 49 -9.558 5.058 3.136 1.00 0.00 O ATOM 735 CG2 THR X 49 -8.073 6.906 2.696 1.00 0.00 C ATOM 0 H THR X 49 -8.428 4.244 5.082 1.00 0.00 H new ATOM 0 HA THR X 49 -8.151 7.195 5.248 1.00 0.00 H new ATOM 0 HB THR X 49 -10.075 7.022 3.475 1.00 0.00 H new ATOM 0 HG1 THR X 49 -9.850 5.088 2.201 1.00 0.00 H new ATOM 0 HG21 THR X 49 -8.397 6.941 1.656 1.00 0.00 H new ATOM 0 HG22 THR X 49 -7.807 7.910 3.027 1.00 0.00 H new ATOM 0 HG23 THR X 49 -7.205 6.253 2.784 1.00 0.00 H new ATOM 743 N LYS X 50 -10.121 5.244 6.720 1.00 0.00 N ATOM 744 CA LYS X 50 -11.251 5.123 7.632 1.00 0.00 C ATOM 745 C LYS X 50 -12.562 5.328 6.882 1.00 0.00 C ATOM 746 O LYS X 50 -13.352 6.208 7.223 1.00 0.00 O ATOM 747 CB LYS X 50 -11.137 6.160 8.751 1.00 0.00 C ATOM 748 CG LYS X 50 -9.667 6.352 9.127 1.00 0.00 C ATOM 749 CD LYS X 50 -9.576 7.175 10.414 1.00 0.00 C ATOM 750 CE LYS X 50 -8.537 6.551 11.346 1.00 0.00 C ATOM 751 NZ LYS X 50 -7.375 6.075 10.543 1.00 0.00 N ATOM 0 H LYS X 50 -9.474 4.456 6.737 1.00 0.00 H new ATOM 0 HA LYS X 50 -11.240 4.122 8.064 1.00 0.00 H new ATOM 0 HB2 LYS X 50 -11.566 7.108 8.427 1.00 0.00 H new ATOM 0 HB3 LYS X 50 -11.706 5.834 9.622 1.00 0.00 H new ATOM 0 HG2 LYS X 50 -9.186 5.384 9.266 1.00 0.00 H new ATOM 0 HG3 LYS X 50 -9.137 6.858 8.320 1.00 0.00 H new ATOM 0 HD2 LYS X 50 -9.300 8.204 10.182 1.00 0.00 H new ATOM 0 HD3 LYS X 50 -10.548 7.209 10.906 1.00 0.00 H new ATOM 0 HE2 LYS X 50 -8.208 7.283 12.084 1.00 0.00 H new ATOM 0 HE3 LYS X 50 -8.978 5.720 11.896 1.00 0.00 H new ATOM 0 HZ1 LYS X 50 -6.508 6.145 11.112 1.00 0.00 H new ATOM 0 HZ2 LYS X 50 -7.527 5.084 10.265 1.00 0.00 H new ATOM 0 HZ3 LYS X 50 -7.278 6.663 9.690 1.00 0.00 H new ATOM 765 N THR X 51 -12.786 4.514 5.854 1.00 0.00 N ATOM 766 CA THR X 51 -14.003 4.623 5.062 1.00 0.00 C ATOM 767 C THR X 51 -14.486 3.246 4.619 1.00 0.00 C ATOM 768 O THR X 51 -13.689 2.327 4.429 1.00 0.00 O ATOM 769 CB THR X 51 -13.746 5.497 3.831 1.00 0.00 C ATOM 770 OG1 THR X 51 -14.982 5.998 3.341 1.00 0.00 O ATOM 771 CG2 THR X 51 -13.063 4.666 2.743 1.00 0.00 C ATOM 0 H THR X 51 -12.146 3.779 5.553 1.00 0.00 H new ATOM 0 HA THR X 51 -14.775 5.081 5.681 1.00 0.00 H new ATOM 0 HB THR X 51 -13.099 6.330 4.107 1.00 0.00 H new ATOM 0 HG1 THR X 51 -14.819 6.559 2.554 1.00 0.00 H new ATOM 0 HG21 THR X 51 -12.881 5.291 1.868 1.00 0.00 H new ATOM 0 HG22 THR X 51 -12.114 4.284 3.119 1.00 0.00 H new ATOM 0 HG23 THR X 51 -13.706 3.831 2.465 1.00 0.00 H new ATOM 779 N PHE X 52 -15.797 3.114 4.454 1.00 0.00 N ATOM 780 CA PHE X 52 -16.384 1.846 4.030 1.00 0.00 C ATOM 781 C PHE X 52 -16.853 1.942 2.581 1.00 0.00 C ATOM 782 O PHE X 52 -17.481 2.924 2.187 1.00 0.00 O ATOM 783 CB PHE X 52 -17.569 1.490 4.933 1.00 0.00 C ATOM 784 CG PHE X 52 -17.293 0.191 5.651 1.00 0.00 C ATOM 785 CD1 PHE X 52 -16.541 0.189 6.831 1.00 0.00 C ATOM 786 CD2 PHE X 52 -17.792 -1.012 5.137 1.00 0.00 C ATOM 787 CE1 PHE X 52 -16.287 -1.017 7.497 1.00 0.00 C ATOM 788 CE2 PHE X 52 -17.538 -2.216 5.801 1.00 0.00 C ATOM 789 CZ PHE X 52 -16.786 -2.219 6.982 1.00 0.00 C ATOM 0 H PHE X 52 -16.471 3.864 4.606 1.00 0.00 H new ATOM 0 HA PHE X 52 -15.626 1.066 4.108 1.00 0.00 H new ATOM 0 HB2 PHE X 52 -17.739 2.287 5.657 1.00 0.00 H new ATOM 0 HB3 PHE X 52 -18.478 1.401 4.338 1.00 0.00 H new ATOM 0 HD1 PHE X 52 -16.157 1.117 7.228 1.00 0.00 H new ATOM 0 HD2 PHE X 52 -18.374 -1.010 4.227 1.00 0.00 H new ATOM 0 HE1 PHE X 52 -15.706 -1.019 8.408 1.00 0.00 H new ATOM 0 HE2 PHE X 52 -17.922 -3.144 5.403 1.00 0.00 H new ATOM 0 HZ PHE X 52 -16.591 -3.149 7.496 1.00 0.00 H new ATOM 799 N THR X 53 -16.535 0.922 1.788 1.00 0.00 N ATOM 800 CA THR X 53 -16.923 0.917 0.381 1.00 0.00 C ATOM 801 C THR X 53 -17.765 -0.310 0.040 1.00 0.00 C ATOM 802 O THR X 53 -17.457 -1.426 0.457 1.00 0.00 O ATOM 803 CB THR X 53 -15.670 0.933 -0.498 1.00 0.00 C ATOM 804 OG1 THR X 53 -14.644 1.662 0.160 1.00 0.00 O ATOM 805 CG2 THR X 53 -15.990 1.595 -1.839 1.00 0.00 C ATOM 0 H THR X 53 -16.016 0.098 2.091 1.00 0.00 H new ATOM 0 HA THR X 53 -17.524 1.807 0.193 1.00 0.00 H new ATOM 0 HB THR X 53 -15.336 -0.090 -0.674 1.00 0.00 H new ATOM 0 HG1 THR X 53 -13.840 1.673 -0.400 1.00 0.00 H new ATOM 0 HG21 THR X 53 -15.096 1.605 -2.462 1.00 0.00 H new ATOM 0 HG22 THR X 53 -16.778 1.034 -2.343 1.00 0.00 H new ATOM 0 HG23 THR X 53 -16.325 2.618 -1.669 1.00 0.00 H new ATOM 813 N VAL X 54 -18.824 -0.089 -0.736 1.00 0.00 N ATOM 814 CA VAL X 54 -19.705 -1.174 -1.153 1.00 0.00 C ATOM 815 C VAL X 54 -20.017 -1.045 -2.640 1.00 0.00 C ATOM 816 O VAL X 54 -20.500 -0.007 -3.092 1.00 0.00 O ATOM 817 CB VAL X 54 -21.006 -1.130 -0.348 1.00 0.00 C ATOM 818 CG1 VAL X 54 -21.962 -2.204 -0.868 1.00 0.00 C ATOM 819 CG2 VAL X 54 -20.699 -1.391 1.128 1.00 0.00 C ATOM 0 H VAL X 54 -19.091 0.830 -1.087 1.00 0.00 H new ATOM 0 HA VAL X 54 -19.205 -2.125 -0.972 1.00 0.00 H new ATOM 0 HB VAL X 54 -21.469 -0.149 -0.455 1.00 0.00 H new ATOM 0 HG11 VAL X 54 -22.889 -2.174 -0.296 1.00 0.00 H new ATOM 0 HG12 VAL X 54 -22.179 -2.019 -1.920 1.00 0.00 H new ATOM 0 HG13 VAL X 54 -21.500 -3.185 -0.760 1.00 0.00 H new ATOM 0 HG21 VAL X 54 -21.624 -1.360 1.703 1.00 0.00 H new ATOM 0 HG22 VAL X 54 -20.238 -2.373 1.236 1.00 0.00 H new ATOM 0 HG23 VAL X 54 -20.016 -0.626 1.498 1.00 0.00 H new ATOM 829 N THR X 55 -19.730 -2.096 -3.403 1.00 0.00 N ATOM 830 CA THR X 55 -19.980 -2.064 -4.840 1.00 0.00 C ATOM 831 C THR X 55 -20.860 -3.231 -5.280 1.00 0.00 C ATOM 832 O THR X 55 -20.449 -4.387 -5.208 1.00 0.00 O ATOM 833 CB THR X 55 -18.650 -2.116 -5.594 1.00 0.00 C ATOM 834 OG1 THR X 55 -17.819 -1.050 -5.153 1.00 0.00 O ATOM 835 CG2 THR X 55 -18.899 -1.983 -7.096 1.00 0.00 C ATOM 0 H THR X 55 -19.330 -2.968 -3.057 1.00 0.00 H new ATOM 0 HA THR X 55 -20.505 -1.137 -5.070 1.00 0.00 H new ATOM 0 HB THR X 55 -18.160 -3.069 -5.397 1.00 0.00 H new ATOM 0 HG1 THR X 55 -18.268 -0.195 -5.320 1.00 0.00 H new ATOM 0 HG21 THR X 55 -17.948 -2.021 -7.627 1.00 0.00 H new ATOM 0 HG22 THR X 55 -19.536 -2.801 -7.433 1.00 0.00 H new ATOM 0 HG23 THR X 55 -19.391 -1.032 -7.300 1.00 0.00 H new ATOM 843 N GLU X 56 -22.062 -2.911 -5.752 1.00 0.00 N ATOM 844 CA GLU X 56 -22.993 -3.934 -6.218 1.00 0.00 C ATOM 845 C GLU X 56 -22.244 -5.069 -6.911 1.00 0.00 C ATOM 846 O GLU X 56 -22.010 -6.078 -6.268 1.00 0.00 O ATOM 847 CB GLU X 56 -23.996 -3.315 -7.193 1.00 0.00 C ATOM 848 CG GLU X 56 -25.193 -4.252 -7.355 1.00 0.00 C ATOM 849 CD GLU X 56 -26.366 -3.748 -6.525 1.00 0.00 C ATOM 850 OE1 GLU X 56 -26.135 -2.941 -5.639 1.00 0.00 O ATOM 851 OE2 GLU X 56 -27.479 -4.173 -6.786 1.00 0.00 O ATOM 852 OXT GLU X 56 -21.916 -4.911 -8.077 1.00 0.00 O ATOM 0 H GLU X 56 -22.413 -1.956 -5.822 1.00 0.00 H new ATOM 0 HA GLU X 56 -23.522 -4.339 -5.355 1.00 0.00 H new ATOM 0 HB2 GLU X 56 -24.327 -2.345 -6.823 1.00 0.00 H new ATOM 0 HB3 GLU X 56 -23.522 -3.143 -8.159 1.00 0.00 H new ATOM 0 HG2 GLU X 56 -25.479 -4.311 -8.405 1.00 0.00 H new ATOM 0 HG3 GLU X 56 -24.921 -5.260 -7.041 1.00 0.00 H new TER 859 GLU X 56