USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 494 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 -130:sc= -3.49! USER MOD Set 1.2: A 36 THR OG1 : rot -179:sc= 0.766 USER MOD Set 2.1: A 16 ASN : amide:sc= -0.138 K(o=0.77,f=-5.8!) USER MOD Set 2.2: A 18 THR OG1 : rot 90:sc= 0.909 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= -1.24 USER MOD Single : A 10 ASN : amide:sc= -4! C(o=-4!,f=-11!) USER MOD Single : A 14 LYS NZ :NH3+ 148:sc= -0.489 (180deg=-0.756) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -159:sc=-0.00764 (180deg=-0.144) USER MOD Single : A 30 SER OG : rot 23:sc= 0.599 USER MOD Single : A 33 SER OG : rot 23:sc= 0.553 USER MOD Single : A 35 ASN : amide:sc= -0.627 K(o=-0.63,f=-1.4) USER MOD Single : A 38 ASN : amide:sc= -7.12! C(o=-7.1!,f=-12!) USER MOD Single : A 42 ASN : amide:sc= -4.27! C(o=-4.3!,f=-7.8!) USER MOD Single : A 48 ASN : amide:sc= -2.65! C(o=-2.7!,f=-5.4!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -150:sc= -2.67! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 90:sc= 0.0438 USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -0.824 11.774 7.555 1.00 0.00 N ATOM 44 CA LYS A 4 -0.486 10.407 7.911 1.00 0.00 C ATOM 45 C LYS A 4 -0.714 9.498 6.702 1.00 0.00 C ATOM 46 O LYS A 4 -1.721 9.627 6.005 1.00 0.00 O ATOM 47 CB LYS A 4 -1.255 9.973 9.160 1.00 0.00 C ATOM 48 CG LYS A 4 -0.380 10.083 10.410 1.00 0.00 C ATOM 49 CD LYS A 4 -1.195 10.570 11.610 1.00 0.00 C ATOM 50 CE LYS A 4 -0.808 12.001 11.990 1.00 0.00 C ATOM 51 NZ LYS A 4 -2.011 12.860 12.065 1.00 0.00 N ATOM 0 HA LYS A 4 0.570 10.332 8.172 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.143 10.594 9.278 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.598 8.945 9.041 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.061 9.112 10.636 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.444 10.772 10.222 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.258 10.527 11.374 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.030 9.907 12.459 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.293 12.002 12.950 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.112 12.403 11.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.731 13.828 12.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.487 12.873 11.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.662 12.484 12.784 1.00 0.00 H new ATOM 65 N LEU A 5 0.236 8.600 6.489 1.00 0.00 N ATOM 66 CA LEU A 5 0.151 7.670 5.376 1.00 0.00 C ATOM 67 C LEU A 5 1.230 6.596 5.531 1.00 0.00 C ATOM 68 O LEU A 5 1.991 6.610 6.496 1.00 0.00 O ATOM 69 CB LEU A 5 0.217 8.421 4.045 1.00 0.00 C ATOM 70 CG LEU A 5 1.268 9.529 3.950 1.00 0.00 C ATOM 71 CD1 LEU A 5 1.603 9.845 2.492 1.00 0.00 C ATOM 72 CD2 LEU A 5 0.822 10.774 4.720 1.00 0.00 C ATOM 0 H LEU A 5 1.069 8.497 7.069 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.811 7.158 5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.408 7.698 3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.762 8.859 3.849 1.00 0.00 H new ATOM 0 HG LEU A 5 2.185 9.171 4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.352 10.636 2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.994 8.951 2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.702 10.174 1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.586 11.547 4.637 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.115 11.144 4.303 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.676 10.520 5.770 1.00 0.00 H new ATOM 84 N TYR A 6 1.260 5.690 4.564 1.00 0.00 N ATOM 85 CA TYR A 6 2.234 4.611 4.581 1.00 0.00 C ATOM 86 C TYR A 6 2.583 4.166 3.159 1.00 0.00 C ATOM 87 O TYR A 6 1.752 3.579 2.467 1.00 0.00 O ATOM 88 CB TYR A 6 1.562 3.448 5.316 1.00 0.00 C ATOM 89 CG TYR A 6 2.544 2.435 5.907 1.00 0.00 C ATOM 90 CD1 TYR A 6 3.356 1.694 5.072 1.00 0.00 C ATOM 91 CD2 TYR A 6 2.618 2.262 7.273 1.00 0.00 C ATOM 92 CE1 TYR A 6 4.280 0.740 5.627 1.00 0.00 C ATOM 93 CE2 TYR A 6 3.543 1.309 7.829 1.00 0.00 C ATOM 94 CZ TYR A 6 4.328 0.595 6.979 1.00 0.00 C ATOM 95 OH TYR A 6 5.201 -0.307 7.504 1.00 0.00 O ATOM 0 H TYR A 6 0.626 5.681 3.765 1.00 0.00 H new ATOM 0 HA TYR A 6 3.157 4.934 5.064 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.942 3.848 6.118 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.895 2.932 4.625 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.298 1.830 4.002 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.982 2.841 7.926 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.920 0.153 4.985 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.612 1.165 8.897 1.00 0.00 H new ATOM 0 HH TYR A 6 5.127 -0.303 8.481 1.00 0.00 H new ATOM 105 N GLY A 7 3.813 4.461 2.767 1.00 0.00 N ATOM 106 CA GLY A 7 4.283 4.099 1.440 1.00 0.00 C ATOM 107 C GLY A 7 3.182 4.298 0.396 1.00 0.00 C ATOM 108 O GLY A 7 2.822 3.363 -0.318 1.00 0.00 O ATOM 0 H GLY A 7 4.499 4.947 3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.150 4.705 1.179 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.609 3.059 1.437 1.00 0.00 H new ATOM 112 N ASP A 8 2.680 5.523 0.339 1.00 0.00 N ATOM 113 CA ASP A 8 1.628 5.857 -0.607 1.00 0.00 C ATOM 114 C ASP A 8 2.116 5.570 -2.028 1.00 0.00 C ATOM 115 O ASP A 8 3.316 5.611 -2.296 1.00 0.00 O ATOM 116 CB ASP A 8 1.264 7.341 -0.522 1.00 0.00 C ATOM 117 CG ASP A 8 -0.221 7.654 -0.720 1.00 0.00 C ATOM 118 OD1 ASP A 8 -0.875 6.869 -1.440 1.00 0.00 O ATOM 119 OD2 ASP A 8 -0.668 8.670 -0.147 1.00 0.00 O ATOM 0 H ASP A 8 2.982 6.296 0.932 1.00 0.00 H new ATOM 0 HA ASP A 8 0.752 5.256 -0.365 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.573 7.721 0.452 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.838 7.884 -1.273 1.00 0.00 H new ATOM 124 N VAL A 9 1.161 5.287 -2.901 1.00 0.00 N ATOM 125 CA VAL A 9 1.478 4.993 -4.289 1.00 0.00 C ATOM 126 C VAL A 9 1.440 6.288 -5.101 1.00 0.00 C ATOM 127 O VAL A 9 2.443 6.686 -5.690 1.00 0.00 O ATOM 128 CB VAL A 9 0.529 3.921 -4.827 1.00 0.00 C ATOM 129 CG1 VAL A 9 0.798 3.643 -6.307 1.00 0.00 C ATOM 130 CG2 VAL A 9 0.629 2.636 -4.002 1.00 0.00 C ATOM 0 H VAL A 9 0.167 5.255 -2.675 1.00 0.00 H new ATOM 0 HA VAL A 9 2.486 4.586 -4.373 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.489 4.300 -4.736 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.110 2.877 -6.664 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.653 4.558 -6.881 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.824 3.296 -6.431 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.056 1.890 -4.406 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.649 2.254 -4.046 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.365 2.848 -2.966 1.00 0.00 H new ATOM 140 N ASN A 10 0.269 6.909 -5.108 1.00 0.00 N ATOM 141 CA ASN A 10 0.086 8.152 -5.840 1.00 0.00 C ATOM 142 C ASN A 10 -0.002 9.314 -4.848 1.00 0.00 C ATOM 143 O ASN A 10 -0.514 10.381 -5.181 1.00 0.00 O ATOM 144 CB ASN A 10 -1.210 8.126 -6.653 1.00 0.00 C ATOM 145 CG ASN A 10 -2.356 7.521 -5.840 1.00 0.00 C ATOM 146 OD1 ASN A 10 -2.295 7.401 -4.628 1.00 0.00 O ATOM 147 ND2 ASN A 10 -3.401 7.149 -6.573 1.00 0.00 N ATOM 0 H ASN A 10 -0.562 6.575 -4.619 1.00 0.00 H new ATOM 0 HA ASN A 10 0.933 8.274 -6.515 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.472 9.139 -6.959 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.060 7.547 -7.564 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.217 6.734 -6.124 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.386 7.278 -7.585 1.00 0.00 H new ATOM 154 N ASP A 11 0.507 9.067 -3.649 1.00 0.00 N ATOM 155 CA ASP A 11 0.493 10.079 -2.607 1.00 0.00 C ATOM 156 C ASP A 11 -0.924 10.641 -2.467 1.00 0.00 C ATOM 157 O ASP A 11 -1.126 11.852 -2.548 1.00 0.00 O ATOM 158 CB ASP A 11 1.429 11.239 -2.953 1.00 0.00 C ATOM 159 CG ASP A 11 1.892 12.075 -1.759 1.00 0.00 C ATOM 160 OD1 ASP A 11 2.840 11.621 -1.083 1.00 0.00 O ATOM 161 OD2 ASP A 11 1.288 13.149 -1.548 1.00 0.00 O ATOM 0 H ASP A 11 0.932 8.180 -3.377 1.00 0.00 H new ATOM 0 HA ASP A 11 0.824 9.612 -1.679 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.307 10.839 -3.459 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.924 11.895 -3.662 1.00 0.00 H new ATOM 166 N ASP A 12 -1.868 9.734 -2.260 1.00 0.00 N ATOM 167 CA ASP A 12 -3.259 10.124 -2.107 1.00 0.00 C ATOM 168 C ASP A 12 -3.712 9.833 -0.676 1.00 0.00 C ATOM 169 O ASP A 12 -4.527 10.566 -0.117 1.00 0.00 O ATOM 170 CB ASP A 12 -4.160 9.333 -3.059 1.00 0.00 C ATOM 171 CG ASP A 12 -5.595 9.130 -2.569 1.00 0.00 C ATOM 172 OD1 ASP A 12 -5.805 8.156 -1.814 1.00 0.00 O ATOM 173 OD2 ASP A 12 -6.450 9.953 -2.963 1.00 0.00 O ATOM 0 H ASP A 12 -1.697 8.731 -2.195 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.338 11.187 -2.335 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.189 9.847 -4.020 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.710 8.356 -3.234 1.00 0.00 H new ATOM 178 N GLY A 13 -3.163 8.762 -0.122 1.00 0.00 N ATOM 179 CA GLY A 13 -3.501 8.364 1.234 1.00 0.00 C ATOM 180 C GLY A 13 -2.605 7.219 1.709 1.00 0.00 C ATOM 181 O GLY A 13 -1.880 7.360 2.693 1.00 0.00 O ATOM 0 H GLY A 13 -2.486 8.157 -0.588 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.394 9.217 1.904 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.545 8.055 1.276 1.00 0.00 H new ATOM 185 N LYS A 14 -2.685 6.110 0.988 1.00 0.00 N ATOM 186 CA LYS A 14 -1.890 4.941 1.323 1.00 0.00 C ATOM 187 C LYS A 14 -1.718 4.072 0.076 1.00 0.00 C ATOM 188 O LYS A 14 -2.076 4.484 -1.026 1.00 0.00 O ATOM 189 CB LYS A 14 -2.505 4.197 2.511 1.00 0.00 C ATOM 190 CG LYS A 14 -1.820 4.592 3.820 1.00 0.00 C ATOM 191 CD LYS A 14 -2.844 4.761 4.945 1.00 0.00 C ATOM 192 CE LYS A 14 -3.908 5.795 4.568 1.00 0.00 C ATOM 193 NZ LYS A 14 -5.216 5.136 4.350 1.00 0.00 N ATOM 0 H LYS A 14 -3.288 5.997 0.173 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.892 5.239 1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.570 4.420 2.572 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.413 3.122 2.358 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.092 3.830 4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.270 5.523 3.681 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.321 3.803 5.155 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.338 5.072 5.859 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.996 6.540 5.359 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.605 6.324 3.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.981 5.783 4.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.318 4.891 3.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.269 4.270 4.924 1.00 0.00 H new ATOM 207 N VAL A 15 -1.168 2.886 0.291 1.00 0.00 N ATOM 208 CA VAL A 15 -0.943 1.955 -0.801 1.00 0.00 C ATOM 209 C VAL A 15 -1.867 0.747 -0.635 1.00 0.00 C ATOM 210 O VAL A 15 -1.546 -0.188 0.099 1.00 0.00 O ATOM 211 CB VAL A 15 0.536 1.572 -0.868 1.00 0.00 C ATOM 212 CG1 VAL A 15 1.055 1.150 0.508 1.00 0.00 C ATOM 213 CG2 VAL A 15 0.773 0.472 -1.904 1.00 0.00 C ATOM 0 H VAL A 15 -0.871 2.548 1.207 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.186 2.422 -1.756 1.00 0.00 H new ATOM 0 HB VAL A 15 1.096 2.453 -1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.109 0.883 0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.939 1.976 1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.487 0.290 0.863 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.833 0.219 -1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.196 -0.412 -1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.459 0.824 -2.887 1.00 0.00 H new ATOM 223 N ASN A 16 -2.995 0.803 -1.327 1.00 0.00 N ATOM 224 CA ASN A 16 -3.967 -0.274 -1.265 1.00 0.00 C ATOM 225 C ASN A 16 -4.691 -0.381 -2.609 1.00 0.00 C ATOM 226 O ASN A 16 -4.317 0.284 -3.573 1.00 0.00 O ATOM 227 CB ASN A 16 -5.015 -0.010 -0.182 1.00 0.00 C ATOM 228 CG ASN A 16 -5.835 1.241 -0.507 1.00 0.00 C ATOM 229 OD1 ASN A 16 -6.993 1.176 -0.884 1.00 0.00 O ATOM 230 ND2 ASN A 16 -5.170 2.381 -0.340 1.00 0.00 N ATOM 0 H ASN A 16 -3.258 1.579 -1.935 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.434 -1.196 -1.032 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -5.678 -0.871 -0.094 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -4.523 0.113 0.783 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.629 3.272 -0.531 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.201 2.364 -0.021 1.00 0.00 H new ATOM 237 N SER A 17 -5.714 -1.222 -2.628 1.00 0.00 N ATOM 238 CA SER A 17 -6.494 -1.425 -3.837 1.00 0.00 C ATOM 239 C SER A 17 -6.819 -0.076 -4.483 1.00 0.00 C ATOM 240 O SER A 17 -6.836 0.043 -5.707 1.00 0.00 O ATOM 241 CB SER A 17 -7.783 -2.193 -3.540 1.00 0.00 C ATOM 242 OG SER A 17 -8.714 -2.112 -4.615 1.00 0.00 O ATOM 0 H SER A 17 -6.021 -1.771 -1.825 1.00 0.00 H new ATOM 0 HA SER A 17 -5.900 -2.020 -4.530 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.545 -3.239 -3.345 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.241 -1.796 -2.634 1.00 0.00 H new ATOM 0 HG SER A 17 -9.522 -2.616 -4.386 1.00 0.00 H new ATOM 248 N THR A 18 -7.067 0.907 -3.629 1.00 0.00 N ATOM 249 CA THR A 18 -7.390 2.243 -4.100 1.00 0.00 C ATOM 250 C THR A 18 -6.354 2.712 -5.124 1.00 0.00 C ATOM 251 O THR A 18 -6.703 3.335 -6.126 1.00 0.00 O ATOM 252 CB THR A 18 -7.499 3.161 -2.882 1.00 0.00 C ATOM 253 OG1 THR A 18 -8.702 2.745 -2.240 1.00 0.00 O ATOM 254 CG2 THR A 18 -7.768 4.618 -3.268 1.00 0.00 C ATOM 0 H THR A 18 -7.051 0.805 -2.614 1.00 0.00 H new ATOM 0 HA THR A 18 -8.347 2.258 -4.622 1.00 0.00 H new ATOM 0 HB THR A 18 -6.578 3.103 -2.301 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.499 2.043 -1.587 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.836 5.227 -2.366 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.954 4.985 -3.893 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.706 4.681 -3.820 1.00 0.00 H new ATOM 262 N ASP A 19 -5.100 2.396 -4.836 1.00 0.00 N ATOM 263 CA ASP A 19 -4.011 2.777 -5.719 1.00 0.00 C ATOM 264 C ASP A 19 -3.615 1.578 -6.583 1.00 0.00 C ATOM 265 O ASP A 19 -2.463 1.459 -6.996 1.00 0.00 O ATOM 266 CB ASP A 19 -2.780 3.210 -4.920 1.00 0.00 C ATOM 267 CG ASP A 19 -2.857 4.617 -4.324 1.00 0.00 C ATOM 268 OD1 ASP A 19 -3.686 5.403 -4.831 1.00 0.00 O ATOM 269 OD2 ASP A 19 -2.085 4.875 -3.375 1.00 0.00 O ATOM 0 H ASP A 19 -4.814 1.880 -4.004 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.353 3.609 -6.335 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.622 2.497 -4.111 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.906 3.154 -5.569 1.00 0.00 H new ATOM 274 N ALA A 20 -4.595 0.720 -6.831 1.00 0.00 N ATOM 275 CA ALA A 20 -4.364 -0.466 -7.637 1.00 0.00 C ATOM 276 C ALA A 20 -3.887 -0.046 -9.029 1.00 0.00 C ATOM 277 O ALA A 20 -3.025 -0.698 -9.617 1.00 0.00 O ATOM 278 CB ALA A 20 -5.642 -1.306 -7.688 1.00 0.00 C ATOM 0 H ALA A 20 -5.550 0.823 -6.488 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.584 -1.085 -7.194 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.469 -2.196 -8.293 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.923 -1.603 -6.678 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.446 -0.718 -8.130 1.00 0.00 H new ATOM 284 N VAL A 21 -4.468 1.040 -9.516 1.00 0.00 N ATOM 285 CA VAL A 21 -4.113 1.556 -10.827 1.00 0.00 C ATOM 286 C VAL A 21 -2.600 1.440 -11.023 1.00 0.00 C ATOM 287 O VAL A 21 -2.139 0.765 -11.943 1.00 0.00 O ATOM 288 CB VAL A 21 -4.630 2.987 -10.985 1.00 0.00 C ATOM 289 CG1 VAL A 21 -4.090 3.627 -12.266 1.00 0.00 C ATOM 290 CG2 VAL A 21 -6.159 3.026 -10.954 1.00 0.00 C ATOM 0 H VAL A 21 -5.183 1.578 -9.026 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.588 0.966 -11.611 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.264 3.570 -10.140 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.473 4.644 -12.354 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.001 3.651 -12.229 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.411 3.042 -13.128 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.499 4.055 -11.068 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.555 2.420 -11.769 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.514 2.630 -10.002 1.00 0.00 H new ATOM 300 N ALA A 22 -1.869 2.111 -10.145 1.00 0.00 N ATOM 301 CA ALA A 22 -0.418 2.093 -10.209 1.00 0.00 C ATOM 302 C ALA A 22 0.084 0.679 -9.908 1.00 0.00 C ATOM 303 O ALA A 22 1.068 0.227 -10.493 1.00 0.00 O ATOM 304 CB ALA A 22 0.150 3.131 -9.239 1.00 0.00 C ATOM 0 H ALA A 22 -2.255 2.671 -9.385 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.075 2.360 -11.209 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.239 3.117 -9.288 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.213 4.122 -9.513 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.171 2.895 -8.224 1.00 0.00 H new ATOM 310 N LEU A 23 -0.616 0.018 -8.996 1.00 0.00 N ATOM 311 CA LEU A 23 -0.253 -1.335 -8.611 1.00 0.00 C ATOM 312 C LEU A 23 -0.209 -2.221 -9.858 1.00 0.00 C ATOM 313 O LEU A 23 0.832 -2.789 -10.184 1.00 0.00 O ATOM 314 CB LEU A 23 -1.194 -1.852 -7.522 1.00 0.00 C ATOM 315 CG LEU A 23 -0.682 -3.035 -6.697 1.00 0.00 C ATOM 316 CD1 LEU A 23 -0.731 -2.722 -5.200 1.00 0.00 C ATOM 317 CD2 LEU A 23 -1.446 -4.315 -7.040 1.00 0.00 C ATOM 0 H LEU A 23 -1.432 0.395 -8.513 1.00 0.00 H new ATOM 0 HA LEU A 23 0.745 -1.352 -8.172 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.416 -1.030 -6.842 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.135 -2.142 -7.990 1.00 0.00 H new ATOM 0 HG LEU A 23 0.363 -3.205 -6.956 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.362 -3.579 -4.637 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.107 -1.853 -4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.759 -2.510 -4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.062 -5.140 -6.440 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.506 -4.174 -6.828 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.315 -4.544 -8.098 1.00 0.00 H new ATOM 329 N LYS A 24 -1.353 -2.313 -10.520 1.00 0.00 N ATOM 330 CA LYS A 24 -1.459 -3.120 -11.723 1.00 0.00 C ATOM 331 C LYS A 24 -0.245 -2.857 -12.617 1.00 0.00 C ATOM 332 O LYS A 24 0.320 -3.786 -13.193 1.00 0.00 O ATOM 333 CB LYS A 24 -2.799 -2.874 -12.418 1.00 0.00 C ATOM 334 CG LYS A 24 -3.135 -4.014 -13.382 1.00 0.00 C ATOM 335 CD LYS A 24 -4.583 -4.475 -13.202 1.00 0.00 C ATOM 336 CE LYS A 24 -4.641 -5.844 -12.522 1.00 0.00 C ATOM 337 NZ LYS A 24 -4.146 -6.897 -13.437 1.00 0.00 N ATOM 0 H LYS A 24 -2.215 -1.842 -10.246 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.447 -4.181 -11.472 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.588 -2.780 -11.672 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.762 -1.931 -12.963 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.980 -3.684 -14.409 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.459 -4.852 -13.210 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.129 -3.745 -12.605 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.076 -4.526 -14.173 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.040 -5.831 -11.613 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.666 -6.065 -12.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.507 -7.822 -13.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.476 -6.701 -14.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.106 -6.909 -13.422 1.00 0.00 H new ATOM 351 N ARG A 25 0.120 -1.587 -12.706 1.00 0.00 N ATOM 352 CA ARG A 25 1.256 -1.189 -13.520 1.00 0.00 C ATOM 353 C ARG A 25 2.562 -1.647 -12.867 1.00 0.00 C ATOM 354 O ARG A 25 3.466 -2.128 -13.550 1.00 0.00 O ATOM 355 CB ARG A 25 1.294 0.329 -13.710 1.00 0.00 C ATOM 356 CG ARG A 25 0.383 0.759 -14.861 1.00 0.00 C ATOM 357 CD ARG A 25 -0.958 1.275 -14.336 1.00 0.00 C ATOM 358 NE ARG A 25 -1.622 2.104 -15.367 1.00 0.00 N ATOM 359 CZ ARG A 25 -2.184 1.611 -16.478 1.00 0.00 C ATOM 360 NH1 ARG A 25 -2.169 0.291 -16.709 1.00 0.00 N ATOM 361 NH2 ARG A 25 -2.763 2.438 -17.360 1.00 0.00 N ATOM 0 H ARG A 25 -0.351 -0.819 -12.227 1.00 0.00 H new ATOM 0 HA ARG A 25 1.147 -1.663 -14.496 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.981 0.822 -12.790 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.316 0.649 -13.911 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.873 1.538 -15.445 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.215 -0.084 -15.531 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.599 0.436 -14.065 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.802 1.862 -13.431 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.653 3.113 -15.222 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.729 -0.339 -16.038 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.597 -0.083 -17.556 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.775 3.443 -17.185 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.191 2.062 -18.206 1.00 0.00 H new ATOM 375 N TYR A 26 2.620 -1.481 -11.554 1.00 0.00 N ATOM 376 CA TYR A 26 3.802 -1.872 -10.802 1.00 0.00 C ATOM 377 C TYR A 26 4.005 -3.387 -10.849 1.00 0.00 C ATOM 378 O TYR A 26 5.116 -3.861 -11.079 1.00 0.00 O ATOM 379 CB TYR A 26 3.539 -1.449 -9.355 1.00 0.00 C ATOM 380 CG TYR A 26 4.797 -1.387 -8.487 1.00 0.00 C ATOM 381 CD1 TYR A 26 5.712 -0.371 -8.669 1.00 0.00 C ATOM 382 CD2 TYR A 26 5.017 -2.349 -7.521 1.00 0.00 C ATOM 383 CE1 TYR A 26 6.896 -0.313 -7.851 1.00 0.00 C ATOM 384 CE2 TYR A 26 6.201 -2.291 -6.704 1.00 0.00 C ATOM 385 CZ TYR A 26 7.082 -1.275 -6.909 1.00 0.00 C ATOM 386 OH TYR A 26 8.200 -1.221 -6.138 1.00 0.00 O ATOM 0 H TYR A 26 1.869 -1.082 -10.991 1.00 0.00 H new ATOM 0 HA TYR A 26 4.694 -1.405 -11.219 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.061 -0.469 -9.355 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.834 -2.148 -8.905 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.541 0.381 -9.425 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.301 -3.145 -7.378 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.620 0.477 -7.983 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.386 -3.037 -5.945 1.00 0.00 H new ATOM 0 HH TYR A 26 8.641 -2.096 -6.140 1.00 0.00 H new ATOM 396 N VAL A 27 2.914 -4.106 -10.627 1.00 0.00 N ATOM 397 CA VAL A 27 2.959 -5.558 -10.641 1.00 0.00 C ATOM 398 C VAL A 27 3.396 -6.037 -12.026 1.00 0.00 C ATOM 399 O VAL A 27 4.391 -6.751 -12.155 1.00 0.00 O ATOM 400 CB VAL A 27 1.604 -6.127 -10.212 1.00 0.00 C ATOM 401 CG1 VAL A 27 1.679 -7.646 -10.037 1.00 0.00 C ATOM 402 CG2 VAL A 27 1.106 -5.452 -8.933 1.00 0.00 C ATOM 0 H VAL A 27 1.994 -3.710 -10.436 1.00 0.00 H new ATOM 0 HA VAL A 27 3.693 -5.924 -9.924 1.00 0.00 H new ATOM 0 HB VAL A 27 0.885 -5.915 -11.004 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.704 -8.026 -9.732 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.969 -8.107 -10.981 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.418 -7.888 -9.273 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.142 -5.875 -8.650 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.824 -5.618 -8.130 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.996 -4.381 -9.106 1.00 0.00 H new ATOM 412 N LEU A 28 2.634 -5.625 -13.028 1.00 0.00 N ATOM 413 CA LEU A 28 2.931 -6.003 -14.400 1.00 0.00 C ATOM 414 C LEU A 28 4.413 -5.753 -14.683 1.00 0.00 C ATOM 415 O LEU A 28 5.064 -6.551 -15.355 1.00 0.00 O ATOM 416 CB LEU A 28 1.989 -5.288 -15.369 1.00 0.00 C ATOM 417 CG LEU A 28 1.701 -6.015 -16.684 1.00 0.00 C ATOM 418 CD1 LEU A 28 0.505 -5.389 -17.405 1.00 0.00 C ATOM 419 CD2 LEU A 28 2.947 -6.059 -17.571 1.00 0.00 C ATOM 0 H LEU A 28 1.811 -5.033 -12.918 1.00 0.00 H new ATOM 0 HA LEU A 28 2.753 -7.068 -14.549 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.042 -5.111 -14.860 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.413 -4.311 -15.602 1.00 0.00 H new ATOM 0 HG LEU A 28 1.434 -7.046 -16.453 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.321 -5.924 -18.337 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.378 -5.454 -16.769 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.719 -4.343 -17.623 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.715 -6.581 -18.499 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.269 -5.042 -17.797 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.747 -6.585 -17.049 1.00 0.00 H new ATOM 431 N ARG A 29 4.903 -4.640 -14.158 1.00 0.00 N ATOM 432 CA ARG A 29 6.297 -4.273 -14.346 1.00 0.00 C ATOM 433 C ARG A 29 6.621 -2.998 -13.565 1.00 0.00 C ATOM 434 O ARG A 29 5.753 -2.439 -12.896 1.00 0.00 O ATOM 435 CB ARG A 29 6.612 -4.051 -15.827 1.00 0.00 C ATOM 436 CG ARG A 29 5.624 -3.066 -16.455 1.00 0.00 C ATOM 437 CD ARG A 29 5.956 -1.627 -16.059 1.00 0.00 C ATOM 438 NE ARG A 29 6.021 -0.771 -17.265 1.00 0.00 N ATOM 439 CZ ARG A 29 7.085 -0.691 -18.073 1.00 0.00 C ATOM 440 NH1 ARG A 29 8.183 -1.414 -17.810 1.00 0.00 N ATOM 441 NH2 ARG A 29 7.054 0.112 -19.145 1.00 0.00 N ATOM 0 H ARG A 29 4.360 -3.980 -13.602 1.00 0.00 H new ATOM 0 HA ARG A 29 6.910 -5.095 -13.975 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.628 -3.671 -15.934 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.570 -5.002 -16.358 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.649 -3.163 -17.540 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.610 -3.310 -16.137 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.199 -1.246 -15.373 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.909 -1.597 -15.530 1.00 0.00 H new ATOM 0 HE ARG A 29 5.203 -0.206 -17.495 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.208 -2.025 -16.994 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.994 -1.353 -18.426 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.219 0.663 -19.346 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.865 0.173 -19.760 1.00 0.00 H new ATOM 455 N SER A 30 7.872 -2.576 -13.676 1.00 0.00 N ATOM 456 CA SER A 30 8.320 -1.377 -12.989 1.00 0.00 C ATOM 457 C SER A 30 8.536 -0.245 -13.996 1.00 0.00 C ATOM 458 O SER A 30 9.409 -0.335 -14.858 1.00 0.00 O ATOM 459 CB SER A 30 9.607 -1.641 -12.205 1.00 0.00 C ATOM 460 OG SER A 30 10.685 -2.016 -13.058 1.00 0.00 O ATOM 0 H SER A 30 8.589 -3.043 -14.231 1.00 0.00 H new ATOM 0 HA SER A 30 7.547 -1.081 -12.280 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.881 -0.746 -11.647 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.431 -2.431 -11.475 1.00 0.00 H new ATOM 0 HG SER A 30 10.514 -1.687 -13.965 1.00 0.00 H new ATOM 466 N GLY A 31 7.725 0.793 -13.854 1.00 0.00 N ATOM 467 CA GLY A 31 7.816 1.940 -14.741 1.00 0.00 C ATOM 468 C GLY A 31 7.161 3.172 -14.114 1.00 0.00 C ATOM 469 O GLY A 31 7.765 4.242 -14.062 1.00 0.00 O ATOM 0 H GLY A 31 7.002 0.864 -13.138 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.862 2.152 -14.960 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.332 1.710 -15.690 1.00 0.00 H new ATOM 473 N ILE A 32 5.934 2.979 -13.652 1.00 0.00 N ATOM 474 CA ILE A 32 5.190 4.061 -13.029 1.00 0.00 C ATOM 475 C ILE A 32 5.960 4.566 -11.807 1.00 0.00 C ATOM 476 O ILE A 32 6.657 3.797 -11.147 1.00 0.00 O ATOM 477 CB ILE A 32 3.760 3.617 -12.716 1.00 0.00 C ATOM 478 CG1 ILE A 32 3.756 2.344 -11.867 1.00 0.00 C ATOM 479 CG2 ILE A 32 2.943 3.454 -13.998 1.00 0.00 C ATOM 480 CD1 ILE A 32 3.225 2.625 -10.459 1.00 0.00 C ATOM 0 H ILE A 32 5.437 2.090 -13.697 1.00 0.00 H new ATOM 0 HA ILE A 32 5.094 4.902 -13.715 1.00 0.00 H new ATOM 0 HB ILE A 32 3.280 4.399 -12.127 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.139 1.584 -12.347 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.767 1.941 -11.805 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.931 3.138 -13.747 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.905 4.405 -14.529 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.410 2.702 -14.634 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.233 1.704 -9.877 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.858 3.367 -9.973 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.205 3.005 -10.524 1.00 0.00 H new ATOM 492 N SER A 33 5.806 5.855 -11.542 1.00 0.00 N ATOM 493 CA SER A 33 6.478 6.471 -10.410 1.00 0.00 C ATOM 494 C SER A 33 5.594 6.381 -9.164 1.00 0.00 C ATOM 495 O SER A 33 4.470 6.881 -9.158 1.00 0.00 O ATOM 496 CB SER A 33 6.828 7.930 -10.706 1.00 0.00 C ATOM 497 OG SER A 33 5.666 8.750 -10.802 1.00 0.00 O ATOM 0 H SER A 33 5.226 6.490 -12.091 1.00 0.00 H new ATOM 0 HA SER A 33 7.407 5.931 -10.229 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.478 8.313 -9.920 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.389 7.986 -11.639 1.00 0.00 H new ATOM 0 HG SER A 33 4.926 8.327 -10.318 1.00 0.00 H new ATOM 503 N ILE A 34 6.136 5.737 -8.140 1.00 0.00 N ATOM 504 CA ILE A 34 5.411 5.575 -6.891 1.00 0.00 C ATOM 505 C ILE A 34 6.407 5.516 -5.732 1.00 0.00 C ATOM 506 O ILE A 34 7.607 5.351 -5.947 1.00 0.00 O ATOM 507 CB ILE A 34 4.482 4.361 -6.965 1.00 0.00 C ATOM 508 CG1 ILE A 34 5.270 3.058 -6.819 1.00 0.00 C ATOM 509 CG2 ILE A 34 3.648 4.385 -8.248 1.00 0.00 C ATOM 510 CD1 ILE A 34 4.765 2.241 -5.628 1.00 0.00 C ATOM 0 H ILE A 34 7.068 5.322 -8.150 1.00 0.00 H new ATOM 0 HA ILE A 34 4.764 6.434 -6.712 1.00 0.00 H new ATOM 0 HB ILE A 34 3.786 4.413 -6.128 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.179 2.470 -7.732 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.329 3.282 -6.688 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.997 3.511 -8.275 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.042 5.290 -8.271 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.311 4.370 -9.113 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.342 1.320 -5.547 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.880 2.822 -4.713 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.713 1.998 -5.774 1.00 0.00 H new ATOM 522 N ASN A 35 5.873 5.655 -4.527 1.00 0.00 N ATOM 523 CA ASN A 35 6.701 5.621 -3.334 1.00 0.00 C ATOM 524 C ASN A 35 6.705 4.202 -2.762 1.00 0.00 C ATOM 525 O ASN A 35 6.155 3.958 -1.690 1.00 0.00 O ATOM 526 CB ASN A 35 6.155 6.561 -2.257 1.00 0.00 C ATOM 527 CG ASN A 35 5.509 7.798 -2.887 1.00 0.00 C ATOM 528 OD1 ASN A 35 6.115 8.848 -3.017 1.00 0.00 O ATOM 529 ND2 ASN A 35 4.248 7.614 -3.267 1.00 0.00 N ATOM 0 H ASN A 35 4.877 5.791 -4.352 1.00 0.00 H new ATOM 0 HA ASN A 35 7.706 5.936 -3.613 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.422 6.034 -1.647 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.963 6.867 -1.592 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.728 8.379 -3.697 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.801 6.708 -3.128 1.00 0.00 H new ATOM 536 N THR A 36 7.333 3.301 -3.504 1.00 0.00 N ATOM 537 CA THR A 36 7.417 1.913 -3.085 1.00 0.00 C ATOM 538 C THR A 36 8.544 1.730 -2.065 1.00 0.00 C ATOM 539 O THR A 36 8.990 0.610 -1.822 1.00 0.00 O ATOM 540 CB THR A 36 7.585 1.050 -4.337 1.00 0.00 C ATOM 541 OG1 THR A 36 7.265 -0.268 -3.897 1.00 0.00 O ATOM 542 CG2 THR A 36 9.044 0.948 -4.787 1.00 0.00 C ATOM 0 H THR A 36 7.789 3.506 -4.393 1.00 0.00 H new ATOM 0 HA THR A 36 6.506 1.598 -2.576 1.00 0.00 H new ATOM 0 HB THR A 36 6.984 1.465 -5.146 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.369 -0.896 -4.642 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.107 0.325 -5.679 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.426 1.944 -5.012 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.640 0.503 -3.990 1.00 0.00 H new ATOM 550 N ASP A 37 8.972 2.848 -1.498 1.00 0.00 N ATOM 551 CA ASP A 37 10.038 2.826 -0.511 1.00 0.00 C ATOM 552 C ASP A 37 9.501 2.246 0.800 1.00 0.00 C ATOM 553 O ASP A 37 10.143 1.397 1.415 1.00 0.00 O ATOM 554 CB ASP A 37 10.556 4.237 -0.227 1.00 0.00 C ATOM 555 CG ASP A 37 11.793 4.645 -1.030 1.00 0.00 C ATOM 556 OD1 ASP A 37 12.401 3.737 -1.636 1.00 0.00 O ATOM 557 OD2 ASP A 37 12.104 5.856 -1.018 1.00 0.00 O ATOM 0 H ASP A 37 8.600 3.775 -1.703 1.00 0.00 H new ATOM 0 HA ASP A 37 10.851 2.217 -0.906 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.757 4.949 -0.432 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.788 4.316 0.835 1.00 0.00 H new ATOM 562 N ASN A 38 8.330 2.730 1.187 1.00 0.00 N ATOM 563 CA ASN A 38 7.700 2.270 2.414 1.00 0.00 C ATOM 564 C ASN A 38 6.336 1.662 2.084 1.00 0.00 C ATOM 565 O ASN A 38 5.502 1.483 2.969 1.00 0.00 O ATOM 566 CB ASN A 38 7.477 3.431 3.386 1.00 0.00 C ATOM 567 CG ASN A 38 7.014 4.686 2.644 1.00 0.00 C ATOM 568 OD1 ASN A 38 7.325 4.905 1.485 1.00 0.00 O ATOM 569 ND2 ASN A 38 6.255 5.497 3.377 1.00 0.00 N ATOM 0 H ASN A 38 7.801 3.435 0.674 1.00 0.00 H new ATOM 0 HA ASN A 38 8.357 1.533 2.876 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.732 3.149 4.130 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.401 3.642 3.924 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.896 6.362 2.974 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.032 5.253 4.342 1.00 0.00 H new ATOM 576 N ALA A 39 6.151 1.360 0.807 1.00 0.00 N ATOM 577 CA ALA A 39 4.902 0.775 0.350 1.00 0.00 C ATOM 578 C ALA A 39 4.943 -0.739 0.569 1.00 0.00 C ATOM 579 O ALA A 39 3.902 -1.395 0.582 1.00 0.00 O ATOM 580 CB ALA A 39 4.672 1.145 -1.117 1.00 0.00 C ATOM 0 H ALA A 39 6.845 1.510 0.075 1.00 0.00 H new ATOM 0 HA ALA A 39 4.062 1.169 0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.735 0.706 -1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.622 2.229 -1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.494 0.763 -1.722 1.00 0.00 H new ATOM 586 N ASP A 40 6.154 -1.248 0.737 1.00 0.00 N ATOM 587 CA ASP A 40 6.343 -2.672 0.955 1.00 0.00 C ATOM 588 C ASP A 40 6.870 -2.900 2.374 1.00 0.00 C ATOM 589 O ASP A 40 7.692 -2.129 2.866 1.00 0.00 O ATOM 590 CB ASP A 40 7.364 -3.249 -0.027 1.00 0.00 C ATOM 591 CG ASP A 40 8.023 -4.557 0.418 1.00 0.00 C ATOM 592 OD1 ASP A 40 7.262 -5.485 0.770 1.00 0.00 O ATOM 593 OD2 ASP A 40 9.271 -4.598 0.398 1.00 0.00 O ATOM 0 H ASP A 40 7.014 -0.700 0.727 1.00 0.00 H new ATOM 0 HA ASP A 40 5.383 -3.166 0.808 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.870 -3.416 -0.984 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.144 -2.506 -0.195 1.00 0.00 H new ATOM 598 N LEU A 41 6.376 -3.963 2.991 1.00 0.00 N ATOM 599 CA LEU A 41 6.787 -4.302 4.343 1.00 0.00 C ATOM 600 C LEU A 41 6.928 -5.821 4.462 1.00 0.00 C ATOM 601 O LEU A 41 6.892 -6.366 5.564 1.00 0.00 O ATOM 602 CB LEU A 41 5.825 -3.692 5.364 1.00 0.00 C ATOM 603 CG LEU A 41 5.494 -2.210 5.172 1.00 0.00 C ATOM 604 CD1 LEU A 41 6.766 -1.360 5.162 1.00 0.00 C ATOM 605 CD2 LEU A 41 4.651 -1.997 3.913 1.00 0.00 C ATOM 0 H LEU A 41 5.695 -4.601 2.580 1.00 0.00 H new ATOM 0 HA LEU A 41 7.764 -3.872 4.564 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.894 -4.258 5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.251 -3.823 6.359 1.00 0.00 H new ATOM 0 HG LEU A 41 4.895 -1.880 6.021 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.502 -0.312 5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.291 -1.480 6.109 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.412 -1.682 4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.429 -0.936 3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.204 -2.348 3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.719 -2.555 4.000 1.00 0.00 H new ATOM 617 N ASN A 42 7.086 -6.461 3.313 1.00 0.00 N ATOM 618 CA ASN A 42 7.233 -7.905 3.275 1.00 0.00 C ATOM 619 C ASN A 42 8.074 -8.296 2.058 1.00 0.00 C ATOM 620 O ASN A 42 8.007 -9.433 1.592 1.00 0.00 O ATOM 621 CB ASN A 42 5.873 -8.595 3.150 1.00 0.00 C ATOM 622 CG ASN A 42 4.732 -7.605 3.398 1.00 0.00 C ATOM 623 OD1 ASN A 42 4.574 -6.614 2.703 1.00 0.00 O ATOM 624 ND2 ASN A 42 3.949 -7.928 4.422 1.00 0.00 N ATOM 0 H ASN A 42 7.115 -6.005 2.401 1.00 0.00 H new ATOM 0 HA ASN A 42 7.713 -8.219 4.202 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.772 -9.031 2.156 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.810 -9.415 3.865 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.159 -7.332 4.668 1.00 0.00 H new ATOM 0 HD22 ASN A 42 4.138 -8.772 4.962 1.00 0.00 H new ATOM 631 N GLU A 43 8.847 -7.333 1.578 1.00 0.00 N ATOM 632 CA GLU A 43 9.700 -7.562 0.424 1.00 0.00 C ATOM 633 C GLU A 43 8.870 -8.064 -0.758 1.00 0.00 C ATOM 634 O GLU A 43 9.263 -9.010 -1.440 1.00 0.00 O ATOM 635 CB GLU A 43 10.825 -8.544 0.761 1.00 0.00 C ATOM 636 CG GLU A 43 12.077 -7.801 1.232 1.00 0.00 C ATOM 637 CD GLU A 43 13.216 -8.780 1.526 1.00 0.00 C ATOM 638 OE1 GLU A 43 13.074 -9.538 2.509 1.00 0.00 O ATOM 639 OE2 GLU A 43 14.203 -8.748 0.759 1.00 0.00 O ATOM 0 H GLU A 43 8.901 -6.392 1.967 1.00 0.00 H new ATOM 0 HA GLU A 43 10.160 -6.615 0.143 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.492 -9.232 1.538 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.063 -9.145 -0.116 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.392 -7.090 0.468 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.847 -7.225 2.128 1.00 0.00 H new ATOM 646 N ASP A 44 7.737 -7.409 -0.965 1.00 0.00 N ATOM 647 CA ASP A 44 6.848 -7.777 -2.054 1.00 0.00 C ATOM 648 C ASP A 44 6.813 -6.646 -3.083 1.00 0.00 C ATOM 649 O ASP A 44 6.664 -6.894 -4.280 1.00 0.00 O ATOM 650 CB ASP A 44 5.421 -7.999 -1.549 1.00 0.00 C ATOM 651 CG ASP A 44 5.319 -8.622 -0.155 1.00 0.00 C ATOM 652 OD1 ASP A 44 6.045 -9.612 0.079 1.00 0.00 O ATOM 653 OD2 ASP A 44 4.515 -8.094 0.644 1.00 0.00 O ATOM 0 H ASP A 44 7.414 -6.626 -0.397 1.00 0.00 H new ATOM 0 HA ASP A 44 7.222 -8.700 -2.497 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.901 -7.041 -1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.897 -8.641 -2.257 1.00 0.00 H new ATOM 658 N GLY A 45 6.956 -5.428 -2.582 1.00 0.00 N ATOM 659 CA GLY A 45 6.943 -4.257 -3.444 1.00 0.00 C ATOM 660 C GLY A 45 5.740 -3.363 -3.135 1.00 0.00 C ATOM 661 O GLY A 45 5.890 -2.155 -2.957 1.00 0.00 O ATOM 0 H GLY A 45 7.081 -5.226 -1.590 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.865 -3.692 -3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.910 -4.569 -4.488 1.00 0.00 H new ATOM 665 N ARG A 46 4.575 -3.990 -3.081 1.00 0.00 N ATOM 666 CA ARG A 46 3.348 -3.266 -2.798 1.00 0.00 C ATOM 667 C ARG A 46 2.393 -4.138 -1.980 1.00 0.00 C ATOM 668 O ARG A 46 2.460 -4.155 -0.752 1.00 0.00 O ATOM 669 CB ARG A 46 2.652 -2.833 -4.091 1.00 0.00 C ATOM 670 CG ARG A 46 3.419 -1.700 -4.774 1.00 0.00 C ATOM 671 CD ARG A 46 2.969 -0.336 -4.244 1.00 0.00 C ATOM 672 NE ARG A 46 1.637 0.004 -4.790 1.00 0.00 N ATOM 673 CZ ARG A 46 1.433 0.511 -6.014 1.00 0.00 C ATOM 674 NH1 ARG A 46 2.475 0.739 -6.826 1.00 0.00 N ATOM 675 NH2 ARG A 46 0.189 0.789 -6.426 1.00 0.00 N ATOM 0 H ARG A 46 4.455 -4.992 -3.229 1.00 0.00 H new ATOM 0 HA ARG A 46 3.613 -2.377 -2.226 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.573 -3.684 -4.768 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.636 -2.507 -3.869 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.488 -1.826 -4.604 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.260 -1.746 -5.851 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.931 -0.354 -3.155 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.693 0.429 -4.525 1.00 0.00 H new ATOM 0 HE ARG A 46 0.822 -0.158 -4.198 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.422 0.527 -6.512 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.321 1.125 -7.758 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.604 0.615 -5.808 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.035 1.175 -7.358 1.00 0.00 H new ATOM 689 N VAL A 47 1.526 -4.841 -2.694 1.00 0.00 N ATOM 690 CA VAL A 47 0.559 -5.713 -2.050 1.00 0.00 C ATOM 691 C VAL A 47 0.187 -6.849 -3.005 1.00 0.00 C ATOM 692 O VAL A 47 -0.694 -6.691 -3.849 1.00 0.00 O ATOM 693 CB VAL A 47 -0.652 -4.901 -1.586 1.00 0.00 C ATOM 694 CG1 VAL A 47 -0.314 -4.075 -0.343 1.00 0.00 C ATOM 695 CG2 VAL A 47 -1.176 -4.008 -2.713 1.00 0.00 C ATOM 0 H VAL A 47 1.473 -4.824 -3.712 1.00 0.00 H new ATOM 0 HA VAL A 47 0.990 -6.167 -1.157 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.443 -5.601 -1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.192 -3.507 -0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.009 -4.741 0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.500 -3.388 -0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.037 -3.441 -2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.392 -3.319 -3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.473 -4.627 -3.559 1.00 0.00 H new ATOM 705 N ASN A 48 0.878 -7.968 -2.841 1.00 0.00 N ATOM 706 CA ASN A 48 0.630 -9.129 -3.679 1.00 0.00 C ATOM 707 C ASN A 48 -0.717 -9.748 -3.301 1.00 0.00 C ATOM 708 O ASN A 48 -1.529 -10.056 -4.172 1.00 0.00 O ATOM 709 CB ASN A 48 1.712 -10.193 -3.479 1.00 0.00 C ATOM 710 CG ASN A 48 1.758 -10.660 -2.022 1.00 0.00 C ATOM 711 OD1 ASN A 48 1.081 -11.592 -1.620 1.00 0.00 O ATOM 712 ND2 ASN A 48 2.593 -9.963 -1.257 1.00 0.00 N ATOM 0 H ASN A 48 1.609 -8.095 -2.141 1.00 0.00 H new ATOM 0 HA ASN A 48 0.633 -8.801 -4.719 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.516 -11.044 -4.131 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.683 -9.788 -3.766 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.696 -10.197 -0.270 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.130 -9.194 -1.658 1.00 0.00 H new ATOM 719 N SER A 49 -0.914 -9.910 -2.001 1.00 0.00 N ATOM 720 CA SER A 49 -2.149 -10.487 -1.498 1.00 0.00 C ATOM 721 C SER A 49 -2.083 -10.617 0.026 1.00 0.00 C ATOM 722 O SER A 49 -3.087 -10.431 0.713 1.00 0.00 O ATOM 723 CB SER A 49 -2.421 -11.850 -2.135 1.00 0.00 C ATOM 724 OG SER A 49 -3.677 -11.883 -2.808 1.00 0.00 O ATOM 0 H SER A 49 -0.239 -9.652 -1.281 1.00 0.00 H new ATOM 0 HA SER A 49 -2.970 -9.822 -1.765 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.625 -12.086 -2.841 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.402 -12.621 -1.364 1.00 0.00 H new ATOM 0 HG SER A 49 -3.813 -12.769 -3.203 1.00 0.00 H new ATOM 730 N THR A 50 -0.891 -10.934 0.509 1.00 0.00 N ATOM 731 CA THR A 50 -0.680 -11.091 1.938 1.00 0.00 C ATOM 732 C THR A 50 -0.559 -9.724 2.613 1.00 0.00 C ATOM 733 O THR A 50 -0.998 -9.547 3.749 1.00 0.00 O ATOM 734 CB THR A 50 0.550 -11.979 2.140 1.00 0.00 C ATOM 735 OG1 THR A 50 0.110 -13.276 1.744 1.00 0.00 O ATOM 736 CG2 THR A 50 0.915 -12.146 3.616 1.00 0.00 C ATOM 0 H THR A 50 -0.061 -11.086 -0.064 1.00 0.00 H new ATOM 0 HA THR A 50 -1.532 -11.578 2.412 1.00 0.00 H new ATOM 0 HB THR A 50 1.397 -11.554 1.602 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.846 -13.915 1.842 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.794 -12.785 3.703 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.131 -11.170 4.050 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.080 -12.603 4.148 1.00 0.00 H new ATOM 744 N ASP A 51 0.037 -8.791 1.886 1.00 0.00 N ATOM 745 CA ASP A 51 0.221 -7.444 2.399 1.00 0.00 C ATOM 746 C ASP A 51 -0.995 -6.591 2.030 1.00 0.00 C ATOM 747 O ASP A 51 -1.257 -5.571 2.665 1.00 0.00 O ATOM 748 CB ASP A 51 1.462 -6.788 1.792 1.00 0.00 C ATOM 749 CG ASP A 51 1.933 -5.517 2.501 1.00 0.00 C ATOM 750 OD1 ASP A 51 2.575 -5.664 3.563 1.00 0.00 O ATOM 751 OD2 ASP A 51 1.643 -4.426 1.964 1.00 0.00 O ATOM 0 H ASP A 51 0.399 -8.941 0.944 1.00 0.00 H new ATOM 0 HA ASP A 51 0.341 -7.509 3.480 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.277 -7.512 1.797 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.255 -6.549 0.749 1.00 0.00 H new ATOM 756 N LEU A 52 -1.703 -7.041 1.006 1.00 0.00 N ATOM 757 CA LEU A 52 -2.885 -6.332 0.544 1.00 0.00 C ATOM 758 C LEU A 52 -3.910 -6.267 1.678 1.00 0.00 C ATOM 759 O LEU A 52 -4.315 -5.182 2.091 1.00 0.00 O ATOM 760 CB LEU A 52 -3.425 -6.969 -0.738 1.00 0.00 C ATOM 761 CG LEU A 52 -4.884 -7.429 -0.695 1.00 0.00 C ATOM 762 CD1 LEU A 52 -5.816 -6.264 -0.355 1.00 0.00 C ATOM 763 CD2 LEU A 52 -5.281 -8.117 -2.003 1.00 0.00 C ATOM 0 H LEU A 52 -1.482 -7.888 0.482 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.635 -5.304 0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.315 -6.251 -1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.801 -7.828 -0.984 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.986 -8.167 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.847 -6.618 -0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.549 -5.857 0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.717 -5.486 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.322 -8.434 -1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.159 -7.420 -2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.645 -8.987 -2.164 1.00 0.00 H new ATOM 775 N GLY A 53 -4.301 -7.443 2.148 1.00 0.00 N ATOM 776 CA GLY A 53 -5.271 -7.532 3.225 1.00 0.00 C ATOM 777 C GLY A 53 -4.848 -6.672 4.418 1.00 0.00 C ATOM 778 O GLY A 53 -5.548 -5.730 4.787 1.00 0.00 O ATOM 0 H GLY A 53 -3.963 -8.341 1.802 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.248 -7.208 2.867 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.376 -8.570 3.540 1.00 0.00 H new ATOM 782 N ILE A 54 -3.705 -7.027 4.986 1.00 0.00 N ATOM 783 CA ILE A 54 -3.180 -6.299 6.129 1.00 0.00 C ATOM 784 C ILE A 54 -3.261 -4.796 5.851 1.00 0.00 C ATOM 785 O ILE A 54 -3.593 -4.014 6.742 1.00 0.00 O ATOM 786 CB ILE A 54 -1.772 -6.786 6.473 1.00 0.00 C ATOM 787 CG1 ILE A 54 -1.644 -7.082 7.969 1.00 0.00 C ATOM 788 CG2 ILE A 54 -0.715 -5.788 5.995 1.00 0.00 C ATOM 789 CD1 ILE A 54 -2.056 -5.869 8.806 1.00 0.00 C ATOM 0 H ILE A 54 -3.128 -7.809 4.676 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.784 -6.493 7.015 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.596 -7.722 5.943 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.269 -7.937 8.229 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.615 -7.357 8.202 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.277 -6.158 6.252 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.789 -5.669 4.914 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.879 -4.825 6.478 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.956 -6.107 9.865 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.414 -5.023 8.561 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.093 -5.612 8.589 1.00 0.00 H new ATOM 801 N LEU A 55 -2.953 -4.438 4.614 1.00 0.00 N ATOM 802 CA LEU A 55 -2.987 -3.042 4.209 1.00 0.00 C ATOM 803 C LEU A 55 -4.430 -2.537 4.257 1.00 0.00 C ATOM 804 O LEU A 55 -4.728 -1.565 4.949 1.00 0.00 O ATOM 805 CB LEU A 55 -2.319 -2.864 2.844 1.00 0.00 C ATOM 806 CG LEU A 55 -0.824 -2.538 2.867 1.00 0.00 C ATOM 807 CD1 LEU A 55 -0.587 -1.040 2.668 1.00 0.00 C ATOM 808 CD2 LEU A 55 -0.168 -3.057 4.148 1.00 0.00 C ATOM 0 H LEU A 55 -2.679 -5.089 3.878 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.411 -2.430 4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.462 -3.779 2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.836 -2.067 2.309 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.350 -3.053 2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.483 -0.835 2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.997 -0.731 1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.078 -0.485 3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.894 -2.812 4.138 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.640 -2.591 5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.290 -4.139 4.207 1.00 0.00 H new ATOM 820 N LYS A 56 -5.288 -3.219 3.514 1.00 0.00 N ATOM 821 CA LYS A 56 -6.693 -2.852 3.462 1.00 0.00 C ATOM 822 C LYS A 56 -7.345 -3.157 4.813 1.00 0.00 C ATOM 823 O LYS A 56 -8.540 -2.933 4.994 1.00 0.00 O ATOM 824 CB LYS A 56 -7.383 -3.531 2.279 1.00 0.00 C ATOM 825 CG LYS A 56 -8.147 -2.513 1.430 1.00 0.00 C ATOM 826 CD LYS A 56 -9.564 -2.305 1.968 1.00 0.00 C ATOM 827 CE LYS A 56 -10.261 -1.151 1.245 1.00 0.00 C ATOM 828 NZ LYS A 56 -10.873 -1.623 -0.016 1.00 0.00 N ATOM 0 H LYS A 56 -5.037 -4.025 2.942 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.800 -1.781 3.289 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.641 -4.039 1.663 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.070 -4.294 2.644 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.612 -1.563 1.426 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.193 -2.857 0.397 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.143 -3.220 1.842 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.524 -2.098 3.037 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.028 -0.721 1.889 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.542 -0.360 1.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.342 -0.827 -0.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.134 -2.012 -0.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.574 -2.362 0.194 1.00 0.00 H new ATOM 842 N ARG A 57 -6.529 -3.663 5.726 1.00 0.00 N ATOM 843 CA ARG A 57 -7.011 -4.002 7.054 1.00 0.00 C ATOM 844 C ARG A 57 -6.809 -2.823 8.009 1.00 0.00 C ATOM 845 O ARG A 57 -7.754 -2.376 8.658 1.00 0.00 O ATOM 846 CB ARG A 57 -6.284 -5.228 7.609 1.00 0.00 C ATOM 847 CG ARG A 57 -7.118 -6.496 7.412 1.00 0.00 C ATOM 848 CD ARG A 57 -7.536 -7.091 8.758 1.00 0.00 C ATOM 849 NE ARG A 57 -7.839 -8.532 8.601 1.00 0.00 N ATOM 850 CZ ARG A 57 -8.290 -9.316 9.589 1.00 0.00 C ATOM 851 NH1 ARG A 57 -8.495 -8.804 10.811 1.00 0.00 N ATOM 852 NH2 ARG A 57 -8.538 -10.612 9.357 1.00 0.00 N ATOM 0 H ARG A 57 -5.537 -3.846 5.572 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.074 -4.231 6.972 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.321 -5.341 7.111 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.079 -5.084 8.670 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.004 -6.265 6.821 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.542 -7.230 6.849 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.738 -6.956 9.488 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.411 -6.566 9.141 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.695 -8.954 7.683 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.308 -7.817 10.989 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.838 -9.401 11.563 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.383 -11.002 8.427 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.881 -11.208 10.110 1.00 0.00 H new ATOM 866 N TYR A 58 -5.572 -2.353 8.065 1.00 0.00 N ATOM 867 CA TYR A 58 -5.234 -1.235 8.928 1.00 0.00 C ATOM 868 C TYR A 58 -5.618 0.096 8.279 1.00 0.00 C ATOM 869 O TYR A 58 -6.053 1.022 8.962 1.00 0.00 O ATOM 870 CB TYR A 58 -3.715 -1.284 9.106 1.00 0.00 C ATOM 871 CG TYR A 58 -2.947 -0.378 8.139 1.00 0.00 C ATOM 872 CD1 TYR A 58 -3.053 0.994 8.247 1.00 0.00 C ATOM 873 CD2 TYR A 58 -2.149 -0.934 7.159 1.00 0.00 C ATOM 874 CE1 TYR A 58 -2.330 1.845 7.338 1.00 0.00 C ATOM 875 CE2 TYR A 58 -1.427 -0.083 6.251 1.00 0.00 C ATOM 876 CZ TYR A 58 -1.553 1.265 6.384 1.00 0.00 C ATOM 877 OH TYR A 58 -0.870 2.069 5.526 1.00 0.00 O ATOM 0 H TYR A 58 -4.791 -2.727 7.526 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.768 -1.307 9.875 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.470 -0.998 10.129 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.376 -2.311 8.972 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -3.678 1.429 9.013 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.067 -2.008 7.074 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -2.403 2.920 7.412 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.799 -0.505 5.481 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.762 1.613 4.666 1.00 0.00 H new ATOM 887 N ILE A 59 -5.443 0.149 6.967 1.00 0.00 N ATOM 888 CA ILE A 59 -5.766 1.351 6.217 1.00 0.00 C ATOM 889 C ILE A 59 -7.272 1.608 6.297 1.00 0.00 C ATOM 890 O ILE A 59 -7.744 2.677 5.912 1.00 0.00 O ATOM 891 CB ILE A 59 -5.235 1.249 4.786 1.00 0.00 C ATOM 892 CG1 ILE A 59 -6.138 0.360 3.929 1.00 0.00 C ATOM 893 CG2 ILE A 59 -3.781 0.772 4.773 1.00 0.00 C ATOM 894 CD1 ILE A 59 -7.116 1.203 3.107 1.00 0.00 C ATOM 0 H ILE A 59 -5.082 -0.621 6.404 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.271 2.217 6.655 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.250 2.245 4.344 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.528 -0.249 3.262 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.693 -0.326 4.569 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.428 0.708 3.744 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.161 1.478 5.326 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.716 -0.211 5.240 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.746 0.547 2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.741 1.793 3.778 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.558 1.871 2.450 1.00 0.00 H new ATOM 906 N LEU A 60 -7.984 0.610 6.800 1.00 0.00 N ATOM 907 CA LEU A 60 -9.427 0.715 6.937 1.00 0.00 C ATOM 908 C LEU A 60 -9.762 1.830 7.929 1.00 0.00 C ATOM 909 O LEU A 60 -10.681 2.615 7.699 1.00 0.00 O ATOM 910 CB LEU A 60 -10.030 -0.641 7.308 1.00 0.00 C ATOM 911 CG LEU A 60 -11.418 -0.938 6.739 1.00 0.00 C ATOM 912 CD1 LEU A 60 -11.363 -1.104 5.219 1.00 0.00 C ATOM 913 CD2 LEU A 60 -12.046 -2.152 7.426 1.00 0.00 C ATOM 0 H LEU A 60 -7.589 -0.275 7.118 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.881 0.990 5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.348 -1.423 6.974 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.083 -0.707 8.395 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.062 -0.083 6.947 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.363 -1.314 4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.989 -0.186 4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.698 -1.930 4.967 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.032 -2.340 7.002 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.412 -3.025 7.272 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.142 -1.957 8.494 1.00 0.00 H new ATOM 925 N LYS A 61 -8.999 1.864 9.011 1.00 0.00 N ATOM 926 CA LYS A 61 -9.203 2.870 10.040 1.00 0.00 C ATOM 927 C LYS A 61 -7.947 2.970 10.907 1.00 0.00 C ATOM 928 O LYS A 61 -7.577 4.057 11.348 1.00 0.00 O ATOM 929 CB LYS A 61 -10.477 2.573 10.834 1.00 0.00 C ATOM 930 CG LYS A 61 -10.426 1.173 11.447 1.00 0.00 C ATOM 931 CD LYS A 61 -10.148 1.241 12.951 1.00 0.00 C ATOM 932 CE LYS A 61 -11.453 1.263 13.750 1.00 0.00 C ATOM 933 NZ LYS A 61 -11.170 1.331 15.200 1.00 0.00 N ATOM 0 H LYS A 61 -8.238 1.211 9.198 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.357 3.850 9.589 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.600 3.315 11.623 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.345 2.656 10.180 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.372 0.661 11.271 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.650 0.586 10.956 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.547 0.383 13.252 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.564 2.134 13.176 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.056 2.120 13.450 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.037 0.370 13.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.066 1.345 15.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.613 0.500 15.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.631 2.196 15.408 1.00 0.00 H new ATOM 947 N GLU A 62 -7.324 1.820 11.125 1.00 0.00 N ATOM 948 CA GLU A 62 -6.117 1.764 11.932 1.00 0.00 C ATOM 949 C GLU A 62 -4.998 2.569 11.269 1.00 0.00 C ATOM 950 O GLU A 62 -3.895 2.665 11.805 1.00 0.00 O ATOM 951 CB GLU A 62 -5.684 0.317 12.171 1.00 0.00 C ATOM 952 CG GLU A 62 -5.897 -0.085 13.631 1.00 0.00 C ATOM 953 CD GLU A 62 -6.634 -1.423 13.730 1.00 0.00 C ATOM 954 OE1 GLU A 62 -6.008 -2.443 13.370 1.00 0.00 O ATOM 955 OE2 GLU A 62 -7.805 -1.395 14.164 1.00 0.00 O ATOM 0 H GLU A 62 -7.633 0.920 10.757 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.332 2.209 12.904 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.252 -0.348 11.520 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.633 0.200 11.908 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.934 -0.158 14.136 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.468 0.688 14.145 1.00 0.00 H new ATOM 962 N ILE A 63 -5.320 3.126 10.110 1.00 0.00 N ATOM 963 CA ILE A 63 -4.355 3.920 9.367 1.00 0.00 C ATOM 964 C ILE A 63 -3.264 4.410 10.321 1.00 0.00 C ATOM 965 O ILE A 63 -3.560 4.965 11.378 1.00 0.00 O ATOM 966 CB ILE A 63 -5.059 5.045 8.608 1.00 0.00 C ATOM 967 CG1 ILE A 63 -4.046 6.047 8.049 1.00 0.00 C ATOM 968 CG2 ILE A 63 -6.112 5.725 9.484 1.00 0.00 C ATOM 969 CD1 ILE A 63 -3.522 6.970 9.150 1.00 0.00 C ATOM 0 H ILE A 63 -6.235 3.043 9.667 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.865 3.312 8.606 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.582 4.606 7.758 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.214 5.511 7.592 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.513 6.641 7.263 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.597 6.521 8.919 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.858 4.992 9.791 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.633 6.147 10.367 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.804 7.672 8.725 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.353 7.522 9.588 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.034 6.375 9.922 1.00 0.00 H new ATOM 981 N ASP A 64 -2.023 4.188 9.912 1.00 0.00 N ATOM 982 CA ASP A 64 -0.886 4.601 10.716 1.00 0.00 C ATOM 983 C ASP A 64 -0.462 3.445 11.625 1.00 0.00 C ATOM 984 O ASP A 64 0.716 3.093 11.680 1.00 0.00 O ATOM 985 CB ASP A 64 -1.243 5.794 11.606 1.00 0.00 C ATOM 986 CG ASP A 64 -0.057 6.663 12.030 1.00 0.00 C ATOM 987 OD1 ASP A 64 1.075 6.135 11.992 1.00 0.00 O ATOM 988 OD2 ASP A 64 -0.310 7.835 12.383 1.00 0.00 O ATOM 0 H ASP A 64 -1.781 3.728 9.035 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.081 4.885 10.038 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.962 6.420 11.077 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.741 5.423 12.502 1.00 0.00 H new ATOM 993 N THR A 65 -1.445 2.886 12.315 1.00 0.00 N ATOM 994 CA THR A 65 -1.190 1.777 13.218 1.00 0.00 C ATOM 995 C THR A 65 -0.517 0.624 12.470 1.00 0.00 C ATOM 996 O THR A 65 0.644 0.309 12.724 1.00 0.00 O ATOM 997 CB THR A 65 -2.516 1.384 13.873 1.00 0.00 C ATOM 998 OG1 THR A 65 -2.910 2.553 14.586 1.00 0.00 O ATOM 999 CG2 THR A 65 -2.340 0.325 14.962 1.00 0.00 C ATOM 0 H THR A 65 -2.420 3.181 12.267 1.00 0.00 H new ATOM 0 HA THR A 65 -0.494 2.062 14.007 1.00 0.00 H new ATOM 0 HB THR A 65 -3.200 1.011 13.111 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.450 3.126 14.002 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.311 0.082 15.394 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.901 -0.573 14.528 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.682 0.710 15.741 1.00 0.00 H new ATOM 1007 N LEU A 66 -1.276 0.027 11.562 1.00 0.00 N ATOM 1008 CA LEU A 66 -0.767 -1.083 10.776 1.00 0.00 C ATOM 1009 C LEU A 66 -0.234 -2.166 11.715 1.00 0.00 C ATOM 1010 O LEU A 66 0.946 -2.163 12.065 1.00 0.00 O ATOM 1011 CB LEU A 66 0.262 -0.592 9.757 1.00 0.00 C ATOM 1012 CG LEU A 66 0.830 -1.652 8.811 1.00 0.00 C ATOM 1013 CD1 LEU A 66 0.871 -1.136 7.370 1.00 0.00 C ATOM 1014 CD2 LEU A 66 2.201 -2.134 9.287 1.00 0.00 C ATOM 0 H LEU A 66 -2.239 0.291 11.354 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.569 -1.534 10.192 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.197 0.193 9.157 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.091 -0.136 10.299 1.00 0.00 H new ATOM 0 HG LEU A 66 0.164 -2.514 8.825 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.279 -1.909 6.718 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.138 -0.883 7.045 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.502 -0.249 7.319 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.582 -2.887 8.597 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.891 -1.291 9.321 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.109 -2.568 10.283 1.00 0.00 H new