USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 490 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 21 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 39 SER OG : rot -83:sc= 0.879 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN :FLIP amide:sc= 0.514 F(o=-0.16,f=0.51) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN :FLIP amide:sc= -4.06! C(o=-5.2!,f=-4.1!) USER MOD Single : A 16 SER OG : rot 75:sc= 1.22 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= -4.02! C(o=-9.5!,f=-4!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0231 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -1.56 K(o=-1.6,f=-4.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -116:sc= -0.613 (180deg=-3.1!) USER MOD Single : A 54 MET CE :methyl 145:sc= -2.57 (180deg=-3.8!) USER MOD Single : A 55 GLN : amide:sc= -1.19 K(o=-1.2,f=-3.9!) USER MOD Single : A 58 GLN : amide:sc=-0.00708 X(o=-0.0071,f=-0.13) USER MOD Single : A 60 SER OG : rot 180:sc= -0.14 USER MOD Single : A 62 GLN : amide:sc= -3.61! C(o=-3.6!,f=-4.3!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.358 -22.662 -13.881 1.00 0.00 N ATOM 2 CA GLY A 1 7.620 -22.532 -12.461 1.00 0.00 C ATOM 3 C GLY A 1 8.183 -21.170 -12.098 1.00 0.00 C ATOM 4 O GLY A 1 9.193 -20.740 -12.654 1.00 0.00 O ATOM 0 H1 GLY A 1 6.975 -23.609 -14.078 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.668 -21.941 -14.174 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.243 -22.529 -14.411 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.696 -22.699 -11.907 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.322 -23.306 -12.152 1.00 0.00 H new ATOM 8 N SER A 2 7.526 -20.490 -11.163 1.00 0.00 N ATOM 9 CA SER A 2 7.965 -19.168 -10.731 1.00 0.00 C ATOM 10 C SER A 2 8.312 -19.170 -9.246 1.00 0.00 C ATOM 11 O SER A 2 7.432 -19.260 -8.390 1.00 0.00 O ATOM 12 CB SER A 2 6.875 -18.131 -11.010 1.00 0.00 C ATOM 13 OG SER A 2 7.387 -16.814 -10.907 1.00 0.00 O ATOM 0 H SER A 2 6.689 -20.832 -10.691 1.00 0.00 H new ATOM 0 HA SER A 2 8.860 -18.906 -11.295 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.465 -18.288 -12.008 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.055 -18.262 -10.304 1.00 0.00 H new ATOM 0 HG SER A 2 6.672 -16.170 -11.091 1.00 0.00 H new ATOM 19 N SER A 3 9.604 -19.070 -8.947 1.00 0.00 N ATOM 20 CA SER A 3 10.071 -19.064 -7.566 1.00 0.00 C ATOM 21 C SER A 3 10.922 -17.829 -7.286 1.00 0.00 C ATOM 22 O SER A 3 11.928 -17.590 -7.952 1.00 0.00 O ATOM 23 CB SER A 3 10.878 -20.329 -7.273 1.00 0.00 C ATOM 24 OG SER A 3 10.082 -21.491 -7.433 1.00 0.00 O ATOM 0 H SER A 3 10.345 -18.992 -9.643 1.00 0.00 H new ATOM 0 HA SER A 3 9.198 -19.039 -6.914 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.738 -20.379 -7.941 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.267 -20.288 -6.256 1.00 0.00 H new ATOM 0 HG SER A 3 10.622 -22.286 -7.242 1.00 0.00 H new ATOM 30 N GLY A 4 10.509 -17.045 -6.294 1.00 0.00 N ATOM 31 CA GLY A 4 11.242 -15.843 -5.943 1.00 0.00 C ATOM 32 C GLY A 4 11.650 -15.820 -4.482 1.00 0.00 C ATOM 33 O GLY A 4 11.102 -16.561 -3.665 1.00 0.00 O ATOM 0 H GLY A 4 9.679 -17.221 -5.727 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.132 -15.768 -6.567 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.627 -14.969 -6.159 1.00 0.00 H new ATOM 37 N SER A 5 12.615 -14.967 -4.153 1.00 0.00 N ATOM 38 CA SER A 5 13.099 -14.854 -2.783 1.00 0.00 C ATOM 39 C SER A 5 12.358 -13.752 -2.033 1.00 0.00 C ATOM 40 O SER A 5 12.537 -12.567 -2.315 1.00 0.00 O ATOM 41 CB SER A 5 14.604 -14.571 -2.772 1.00 0.00 C ATOM 42 OG SER A 5 15.336 -15.692 -3.234 1.00 0.00 O ATOM 0 H SER A 5 13.076 -14.345 -4.816 1.00 0.00 H new ATOM 0 HA SER A 5 12.911 -15.802 -2.279 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.820 -13.707 -3.401 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.922 -14.316 -1.761 1.00 0.00 H new ATOM 0 HG SER A 5 16.294 -15.486 -3.219 1.00 0.00 H new ATOM 48 N SER A 6 11.525 -14.151 -1.078 1.00 0.00 N ATOM 49 CA SER A 6 10.752 -13.198 -0.290 1.00 0.00 C ATOM 50 C SER A 6 11.654 -12.430 0.671 1.00 0.00 C ATOM 51 O SER A 6 12.406 -13.024 1.442 1.00 0.00 O ATOM 52 CB SER A 6 9.655 -13.924 0.493 1.00 0.00 C ATOM 53 OG SER A 6 8.757 -14.586 -0.381 1.00 0.00 O ATOM 0 H SER A 6 11.368 -15.128 -0.831 1.00 0.00 H new ATOM 0 HA SER A 6 10.291 -12.487 -0.975 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.107 -14.648 1.172 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.108 -13.209 1.107 1.00 0.00 H new ATOM 0 HG SER A 6 8.067 -15.043 0.144 1.00 0.00 H new ATOM 59 N GLY A 7 11.572 -11.104 0.617 1.00 0.00 N ATOM 60 CA GLY A 7 12.386 -10.274 1.486 1.00 0.00 C ATOM 61 C GLY A 7 12.379 -8.817 1.068 1.00 0.00 C ATOM 62 O GLY A 7 11.941 -7.951 1.824 1.00 0.00 O ATOM 0 H GLY A 7 10.956 -10.590 -0.013 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.021 -10.357 2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.411 -10.645 1.482 1.00 0.00 H new ATOM 66 N GLN A 8 12.869 -8.547 -0.137 1.00 0.00 N ATOM 67 CA GLN A 8 12.921 -7.183 -0.653 1.00 0.00 C ATOM 68 C GLN A 8 11.638 -6.427 -0.321 1.00 0.00 C ATOM 69 O GLN A 8 10.554 -7.005 -0.229 1.00 0.00 O ATOM 70 CB GLN A 8 13.142 -7.195 -2.166 1.00 0.00 C ATOM 71 CG GLN A 8 11.873 -7.441 -2.964 1.00 0.00 C ATOM 72 CD GLN A 8 11.386 -8.872 -2.861 1.00 0.00 C ATOM 73 OE1 GLN A 8 11.890 -9.736 -3.735 1.00 0.00 O flip ATOM 74 NE2 GLN A 8 10.564 -9.200 -2.004 1.00 0.00 N flip ATOM 0 H GLN A 8 13.236 -9.254 -0.775 1.00 0.00 H new ATOM 0 HA GLN A 8 13.757 -6.672 -0.175 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.573 -6.241 -2.469 1.00 0.00 H new ATOM 0 HB3 GLN A 8 13.871 -7.967 -2.412 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.091 -6.769 -2.611 1.00 0.00 H new ATOM 0 HG3 GLN A 8 12.054 -7.198 -4.011 1.00 0.00 H new ATOM 0 HE21 GLN A 8 10.202 -8.504 -1.352 1.00 0.00 H new ATOM 0 HE22 GLN A 8 10.245 -10.167 -1.947 1.00 0.00 H new ATOM 83 N PRO A 9 11.761 -5.104 -0.136 1.00 0.00 N ATOM 84 CA PRO A 9 10.621 -4.242 0.188 1.00 0.00 C ATOM 85 C PRO A 9 9.659 -4.087 -0.985 1.00 0.00 C ATOM 86 O PRO A 9 9.999 -4.354 -2.138 1.00 0.00 O ATOM 87 CB PRO A 9 11.277 -2.899 0.521 1.00 0.00 C ATOM 88 CG PRO A 9 12.570 -2.915 -0.218 1.00 0.00 C ATOM 89 CD PRO A 9 13.022 -4.350 -0.231 1.00 0.00 C ATOM 0 HA PRO A 9 10.018 -4.651 0.998 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.651 -2.064 0.206 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.436 -2.791 1.594 1.00 0.00 H new ATOM 0 HG2 PRO A 9 12.444 -2.536 -1.232 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.307 -2.278 0.271 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.567 -4.592 -1.143 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.686 -4.570 0.605 1.00 0.00 H new ATOM 97 N PRO A 10 8.428 -3.647 -0.686 1.00 0.00 N ATOM 98 CA PRO A 10 7.391 -3.448 -1.704 1.00 0.00 C ATOM 99 C PRO A 10 7.696 -2.267 -2.619 1.00 0.00 C ATOM 100 O PRO A 10 8.369 -1.316 -2.220 1.00 0.00 O ATOM 101 CB PRO A 10 6.131 -3.171 -0.877 1.00 0.00 C ATOM 102 CG PRO A 10 6.639 -2.626 0.413 1.00 0.00 C ATOM 103 CD PRO A 10 7.952 -3.311 0.666 1.00 0.00 C ATOM 0 HA PRO A 10 7.302 -4.307 -2.368 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.477 -2.458 -1.378 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.551 -4.081 -0.722 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.768 -1.545 0.356 1.00 0.00 H new ATOM 0 HG3 PRO A 10 5.935 -2.821 1.222 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.652 -2.658 1.188 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.828 -4.202 1.281 1.00 0.00 H new ATOM 111 N LEU A 11 7.198 -2.334 -3.849 1.00 0.00 N ATOM 112 CA LEU A 11 7.418 -1.270 -4.822 1.00 0.00 C ATOM 113 C LEU A 11 6.091 -0.742 -5.360 1.00 0.00 C ATOM 114 O LEU A 11 5.042 -1.353 -5.164 1.00 0.00 O ATOM 115 CB LEU A 11 8.283 -1.780 -5.976 1.00 0.00 C ATOM 116 CG LEU A 11 9.179 -0.740 -6.652 1.00 0.00 C ATOM 117 CD1 LEU A 11 10.439 -1.394 -7.197 1.00 0.00 C ATOM 118 CD2 LEU A 11 8.424 -0.026 -7.764 1.00 0.00 C ATOM 0 H LEU A 11 6.639 -3.114 -4.196 1.00 0.00 H new ATOM 0 HA LEU A 11 7.937 -0.453 -4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.914 -2.586 -5.602 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.627 -2.212 -6.732 1.00 0.00 H new ATOM 0 HG LEU A 11 9.471 -0.001 -5.906 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.064 -0.639 -7.674 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.991 -1.858 -6.380 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.167 -2.155 -7.929 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.077 0.710 -8.233 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.102 -0.753 -8.510 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.552 0.477 -7.347 1.00 0.00 H new ATOM 130 N LYS A 12 6.147 0.397 -6.042 1.00 0.00 N ATOM 131 CA LYS A 12 4.952 1.008 -6.612 1.00 0.00 C ATOM 132 C LYS A 12 4.058 -0.047 -7.256 1.00 0.00 C ATOM 133 O LYS A 12 2.854 -0.091 -7.003 1.00 0.00 O ATOM 134 CB LYS A 12 5.340 2.065 -7.647 1.00 0.00 C ATOM 135 CG LYS A 12 5.542 1.503 -9.044 1.00 0.00 C ATOM 136 CD LYS A 12 5.824 2.603 -10.052 1.00 0.00 C ATOM 137 CE LYS A 12 4.537 3.168 -10.635 1.00 0.00 C ATOM 138 NZ LYS A 12 4.782 4.403 -11.430 1.00 0.00 N ATOM 0 H LYS A 12 7.008 0.916 -6.214 1.00 0.00 H new ATOM 0 HA LYS A 12 4.397 1.486 -5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.564 2.830 -7.681 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.258 2.556 -7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.370 0.795 -9.036 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.653 0.950 -9.347 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.389 3.402 -9.572 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.447 2.211 -10.856 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.065 2.417 -11.268 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.839 3.389 -9.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.880 4.756 -11.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.209 5.129 -10.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.428 4.187 -12.216 1.00 0.00 H new ATOM 152 N ASN A 13 4.654 -0.893 -8.087 1.00 0.00 N ATOM 153 CA ASN A 13 3.910 -1.949 -8.766 1.00 0.00 C ATOM 154 C ASN A 13 3.272 -2.899 -7.759 1.00 0.00 C ATOM 155 O ASN A 13 2.164 -3.394 -7.971 1.00 0.00 O ATOM 156 CB ASN A 13 4.833 -2.728 -9.706 1.00 0.00 C ATOM 157 CG ASN A 13 6.240 -2.864 -9.154 1.00 0.00 C ATOM 158 OD1 ASN A 13 6.388 -3.664 -8.104 1.00 0.00 O flip ATOM 159 ND2 ASN A 13 7.181 -2.257 -9.666 1.00 0.00 N flip ATOM 0 H ASN A 13 5.650 -0.869 -8.308 1.00 0.00 H new ATOM 0 HA ASN A 13 3.117 -1.482 -9.350 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.416 -3.720 -9.880 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.872 -2.225 -10.672 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.020 -1.653 -10.472 1.00 0.00 H new ATOM 0 HD22 ASN A 13 8.121 -2.358 -9.284 1.00 0.00 H new ATOM 166 N LEU A 14 3.977 -3.149 -6.661 1.00 0.00 N ATOM 167 CA LEU A 14 3.478 -4.041 -5.618 1.00 0.00 C ATOM 168 C LEU A 14 2.225 -3.468 -4.966 1.00 0.00 C ATOM 169 O LEU A 14 1.199 -4.143 -4.867 1.00 0.00 O ATOM 170 CB LEU A 14 4.558 -4.273 -4.560 1.00 0.00 C ATOM 171 CG LEU A 14 4.204 -5.258 -3.446 1.00 0.00 C ATOM 172 CD1 LEU A 14 5.454 -5.958 -2.936 1.00 0.00 C ATOM 173 CD2 LEU A 14 3.489 -4.544 -2.309 1.00 0.00 C ATOM 0 H LEU A 14 4.895 -2.748 -6.469 1.00 0.00 H new ATOM 0 HA LEU A 14 3.220 -4.994 -6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.458 -4.629 -5.060 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.805 -3.314 -4.105 1.00 0.00 H new ATOM 0 HG LEU A 14 3.531 -6.012 -3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.183 -6.655 -2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.925 -6.503 -3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.152 -5.218 -2.545 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.245 -5.261 -1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.137 -3.768 -1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.572 -4.090 -2.684 1.00 0.00 H new ATOM 185 N LEU A 15 2.313 -2.219 -4.523 1.00 0.00 N ATOM 186 CA LEU A 15 1.185 -1.553 -3.881 1.00 0.00 C ATOM 187 C LEU A 15 0.120 -1.175 -4.907 1.00 0.00 C ATOM 188 O LEU A 15 -1.061 -1.066 -4.579 1.00 0.00 O ATOM 189 CB LEU A 15 1.660 -0.302 -3.140 1.00 0.00 C ATOM 190 CG LEU A 15 2.279 0.797 -4.004 1.00 0.00 C ATOM 191 CD1 LEU A 15 1.201 1.723 -4.545 1.00 0.00 C ATOM 192 CD2 LEU A 15 3.310 1.584 -3.208 1.00 0.00 C ATOM 0 H LEU A 15 3.154 -1.647 -4.597 1.00 0.00 H new ATOM 0 HA LEU A 15 0.745 -2.247 -3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.811 0.121 -2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.393 -0.604 -2.392 1.00 0.00 H new ATOM 0 HG LEU A 15 2.782 0.327 -4.849 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.661 2.498 -5.157 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.500 1.150 -5.152 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.668 2.185 -3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.740 2.362 -3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.830 2.042 -2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.100 0.912 -2.871 1.00 0.00 H new ATOM 204 N SER A 16 0.546 -0.979 -6.151 1.00 0.00 N ATOM 205 CA SER A 16 -0.370 -0.612 -7.224 1.00 0.00 C ATOM 206 C SER A 16 -1.366 -1.736 -7.495 1.00 0.00 C ATOM 207 O SER A 16 -2.560 -1.493 -7.676 1.00 0.00 O ATOM 208 CB SER A 16 0.409 -0.288 -8.499 1.00 0.00 C ATOM 209 OG SER A 16 1.027 0.984 -8.410 1.00 0.00 O ATOM 0 H SER A 16 1.520 -1.068 -6.440 1.00 0.00 H new ATOM 0 HA SER A 16 -0.923 0.273 -6.910 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.167 -1.053 -8.670 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.265 -0.309 -9.356 1.00 0.00 H new ATOM 0 HG SER A 16 1.810 0.927 -7.823 1.00 0.00 H new ATOM 215 N LEU A 17 -0.867 -2.967 -7.520 1.00 0.00 N ATOM 216 CA LEU A 17 -1.712 -4.129 -7.770 1.00 0.00 C ATOM 217 C LEU A 17 -2.767 -4.280 -6.679 1.00 0.00 C ATOM 218 O LEU A 17 -3.947 -4.488 -6.965 1.00 0.00 O ATOM 219 CB LEU A 17 -0.859 -5.398 -7.847 1.00 0.00 C ATOM 220 CG LEU A 17 -0.300 -5.746 -9.227 1.00 0.00 C ATOM 221 CD1 LEU A 17 0.781 -6.811 -9.113 1.00 0.00 C ATOM 222 CD2 LEU A 17 -1.416 -6.213 -10.151 1.00 0.00 C ATOM 0 H LEU A 17 0.118 -3.186 -7.370 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.219 -3.980 -8.723 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.024 -5.293 -7.154 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.460 -6.238 -7.498 1.00 0.00 H new ATOM 0 HG LEU A 17 0.147 -4.848 -9.654 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.167 -7.046 -10.105 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.592 -6.440 -8.487 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.359 -7.711 -8.666 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.001 -6.457 -11.129 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.892 -7.098 -9.728 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.156 -5.419 -10.258 1.00 0.00 H new ATOM 234 N LEU A 18 -2.336 -4.168 -5.426 1.00 0.00 N ATOM 235 CA LEU A 18 -3.244 -4.290 -4.291 1.00 0.00 C ATOM 236 C LEU A 18 -4.233 -3.129 -4.258 1.00 0.00 C ATOM 237 O LEU A 18 -5.430 -3.325 -4.053 1.00 0.00 O ATOM 238 CB LEU A 18 -2.452 -4.337 -2.983 1.00 0.00 C ATOM 239 CG LEU A 18 -1.868 -5.698 -2.600 1.00 0.00 C ATOM 240 CD1 LEU A 18 -0.751 -5.533 -1.582 1.00 0.00 C ATOM 241 CD2 LEU A 18 -2.958 -6.611 -2.054 1.00 0.00 C ATOM 0 H LEU A 18 -1.364 -3.993 -5.171 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.805 -5.218 -4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.634 -3.619 -3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.103 -4.003 -2.175 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.450 -6.157 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.348 -6.512 -1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.041 -4.916 -2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.144 -5.052 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.525 -7.575 -1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.405 -6.156 -1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.725 -6.756 -2.814 1.00 0.00 H new ATOM 253 N LYS A 19 -3.723 -1.919 -4.464 1.00 0.00 N ATOM 254 CA LYS A 19 -4.560 -0.726 -4.462 1.00 0.00 C ATOM 255 C LYS A 19 -5.905 -1.003 -5.126 1.00 0.00 C ATOM 256 O LYS A 19 -6.953 -0.598 -4.623 1.00 0.00 O ATOM 257 CB LYS A 19 -3.851 0.422 -5.184 1.00 0.00 C ATOM 258 CG LYS A 19 -2.981 1.269 -4.271 1.00 0.00 C ATOM 259 CD LYS A 19 -2.179 2.293 -5.057 1.00 0.00 C ATOM 260 CE LYS A 19 -2.969 3.576 -5.269 1.00 0.00 C ATOM 261 NZ LYS A 19 -2.076 4.754 -5.445 1.00 0.00 N ATOM 0 H LYS A 19 -2.734 -1.739 -4.634 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.738 -0.441 -3.425 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.233 0.011 -5.983 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.598 1.061 -5.655 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.608 1.780 -3.540 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.302 0.624 -3.713 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.254 2.518 -4.526 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.898 1.873 -6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.607 3.469 -6.147 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.627 3.743 -4.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.652 5.608 -5.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.485 4.872 -4.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.466 4.606 -6.274 1.00 0.00 H new ATOM 275 N ALA A 20 -5.869 -1.698 -6.259 1.00 0.00 N ATOM 276 CA ALA A 20 -7.084 -2.034 -6.990 1.00 0.00 C ATOM 277 C ALA A 20 -8.222 -2.380 -6.035 1.00 0.00 C ATOM 278 O ALA A 20 -9.257 -1.714 -6.018 1.00 0.00 O ATOM 279 CB ALA A 20 -6.825 -3.187 -7.946 1.00 0.00 C ATOM 0 H ALA A 20 -5.010 -2.039 -6.690 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.383 -1.160 -7.568 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.742 -3.426 -8.485 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.050 -2.903 -8.658 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.497 -4.060 -7.382 1.00 0.00 H new ATOM 285 N TYR A 21 -8.021 -3.427 -5.240 1.00 0.00 N ATOM 286 CA TYR A 21 -9.032 -3.864 -4.284 1.00 0.00 C ATOM 287 C TYR A 21 -9.274 -2.797 -3.220 1.00 0.00 C ATOM 288 O TYR A 21 -10.406 -2.361 -3.008 1.00 0.00 O ATOM 289 CB TYR A 21 -8.603 -5.173 -3.620 1.00 0.00 C ATOM 290 CG TYR A 21 -8.340 -6.292 -4.602 1.00 0.00 C ATOM 291 CD1 TYR A 21 -9.384 -7.043 -5.128 1.00 0.00 C ATOM 292 CD2 TYR A 21 -7.045 -6.598 -5.006 1.00 0.00 C ATOM 293 CE1 TYR A 21 -9.148 -8.066 -6.025 1.00 0.00 C ATOM 294 CE2 TYR A 21 -6.800 -7.620 -5.905 1.00 0.00 C ATOM 295 CZ TYR A 21 -7.854 -8.351 -6.410 1.00 0.00 C ATOM 296 OH TYR A 21 -7.616 -9.369 -7.305 1.00 0.00 O ATOM 0 H TYR A 21 -7.169 -3.987 -5.239 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.963 -4.027 -4.827 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.701 -4.995 -3.035 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -9.379 -5.488 -2.922 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -10.398 -6.823 -4.830 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.217 -6.028 -4.611 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.972 -8.640 -6.423 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.788 -7.844 -6.210 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.653 -9.439 -7.472 1.00 0.00 H new ATOM 306 N TYR A 22 -8.201 -2.380 -2.557 1.00 0.00 N ATOM 307 CA TYR A 22 -8.296 -1.365 -1.514 1.00 0.00 C ATOM 308 C TYR A 22 -9.348 -0.318 -1.866 1.00 0.00 C ATOM 309 O TYR A 22 -10.107 0.128 -1.006 1.00 0.00 O ATOM 310 CB TYR A 22 -6.938 -0.691 -1.306 1.00 0.00 C ATOM 311 CG TYR A 22 -6.930 0.317 -0.179 1.00 0.00 C ATOM 312 CD1 TYR A 22 -6.811 -0.091 1.144 1.00 0.00 C ATOM 313 CD2 TYR A 22 -7.042 1.678 -0.435 1.00 0.00 C ATOM 314 CE1 TYR A 22 -6.802 0.825 2.177 1.00 0.00 C ATOM 315 CE2 TYR A 22 -7.034 2.602 0.590 1.00 0.00 C ATOM 316 CZ TYR A 22 -6.914 2.171 1.895 1.00 0.00 C ATOM 317 OH TYR A 22 -6.907 3.088 2.922 1.00 0.00 O ATOM 0 H TYR A 22 -7.257 -2.728 -2.723 1.00 0.00 H new ATOM 0 HA TYR A 22 -8.596 -1.857 -0.589 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -6.189 -1.456 -1.103 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.643 -0.193 -2.230 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.724 -1.144 1.368 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -7.137 2.019 -1.455 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.708 0.490 3.199 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -7.121 3.656 0.372 1.00 0.00 H new ATOM 0 HH TYR A 22 -6.993 3.992 2.554 1.00 0.00 H new ATOM 327 N ALA A 23 -9.386 0.069 -3.136 1.00 0.00 N ATOM 328 CA ALA A 23 -10.346 1.061 -3.605 1.00 0.00 C ATOM 329 C ALA A 23 -11.759 0.719 -3.143 1.00 0.00 C ATOM 330 O ALA A 23 -12.376 1.472 -2.388 1.00 0.00 O ATOM 331 CB ALA A 23 -10.296 1.169 -5.121 1.00 0.00 C ATOM 0 H ALA A 23 -8.763 -0.289 -3.860 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.074 2.025 -3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.018 1.913 -5.457 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.295 1.468 -5.432 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.539 0.203 -5.563 1.00 0.00 H new ATOM 337 N LEU A 24 -12.265 -0.421 -3.600 1.00 0.00 N ATOM 338 CA LEU A 24 -13.608 -0.864 -3.234 1.00 0.00 C ATOM 339 C LEU A 24 -13.653 -1.311 -1.776 1.00 0.00 C ATOM 340 O LEU A 24 -14.648 -1.103 -1.084 1.00 0.00 O ATOM 341 CB LEU A 24 -14.054 -2.006 -4.147 1.00 0.00 C ATOM 342 CG LEU A 24 -13.372 -3.356 -3.916 1.00 0.00 C ATOM 343 CD1 LEU A 24 -14.141 -4.174 -2.889 1.00 0.00 C ATOM 344 CD2 LEU A 24 -13.248 -4.122 -5.226 1.00 0.00 C ATOM 0 H LEU A 24 -11.767 -1.056 -4.224 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.291 -0.023 -3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -15.129 -2.140 -4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -13.881 -1.707 -5.181 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.370 -3.174 -3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.641 -5.131 -2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.178 -3.631 -1.945 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.156 -4.347 -3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.761 -5.080 -5.043 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -14.241 -4.294 -5.642 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.654 -3.542 -5.932 1.00 0.00 H new ATOM 356 N ASN A 25 -12.568 -1.927 -1.317 1.00 0.00 N ATOM 357 CA ASN A 25 -12.485 -2.404 0.058 1.00 0.00 C ATOM 358 C ASN A 25 -11.199 -1.923 0.723 1.00 0.00 C ATOM 359 O ASN A 25 -10.183 -2.619 0.707 1.00 0.00 O ATOM 360 CB ASN A 25 -12.552 -3.932 0.095 1.00 0.00 C ATOM 361 CG ASN A 25 -12.993 -4.460 1.447 1.00 0.00 C ATOM 362 OD1 ASN A 25 -12.275 -4.073 2.496 1.00 0.00 O flip ATOM 363 ND2 ASN A 25 -13.968 -5.204 1.548 1.00 0.00 N flip ATOM 0 H ASN A 25 -11.735 -2.107 -1.877 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.333 -1.997 0.610 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -13.244 -4.281 -0.671 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.572 -4.342 -0.150 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.491 -5.476 0.715 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -14.254 -5.549 2.464 1.00 0.00 H new ATOM 370 N ALA A 26 -11.251 -0.732 1.308 1.00 0.00 N ATOM 371 CA ALA A 26 -10.092 -0.159 1.980 1.00 0.00 C ATOM 372 C ALA A 26 -9.563 -1.099 3.059 1.00 0.00 C ATOM 373 O ALA A 26 -8.354 -1.280 3.200 1.00 0.00 O ATOM 374 CB ALA A 26 -10.444 1.192 2.583 1.00 0.00 C ATOM 0 H ALA A 26 -12.084 -0.144 1.330 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.306 -0.019 1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.568 1.607 3.081 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.767 1.870 1.793 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.249 1.069 3.307 1.00 0.00 H new ATOM 380 N GLN A 27 -10.477 -1.695 3.817 1.00 0.00 N ATOM 381 CA GLN A 27 -10.101 -2.616 4.883 1.00 0.00 C ATOM 382 C GLN A 27 -10.745 -3.983 4.675 1.00 0.00 C ATOM 383 O GLN A 27 -11.767 -4.314 5.275 1.00 0.00 O ATOM 384 CB GLN A 27 -10.513 -2.049 6.244 1.00 0.00 C ATOM 385 CG GLN A 27 -12.008 -1.804 6.374 1.00 0.00 C ATOM 386 CD GLN A 27 -12.338 -0.775 7.437 1.00 0.00 C ATOM 387 OE1 GLN A 27 -12.040 -0.964 8.616 1.00 0.00 O ATOM 388 NE2 GLN A 27 -12.960 0.325 7.024 1.00 0.00 N ATOM 0 H GLN A 27 -11.482 -1.557 3.713 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.018 -2.737 4.858 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.197 -2.739 7.026 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.984 -1.111 6.413 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.403 -1.470 5.415 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.507 -2.743 6.614 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.189 0.441 6.037 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.209 1.052 7.694 1.00 0.00 H new ATOM 397 N PRO A 28 -10.134 -4.797 3.802 1.00 0.00 N ATOM 398 CA PRO A 28 -10.629 -6.142 3.493 1.00 0.00 C ATOM 399 C PRO A 28 -10.457 -7.106 4.663 1.00 0.00 C ATOM 400 O PRO A 28 -9.533 -6.967 5.464 1.00 0.00 O ATOM 401 CB PRO A 28 -9.760 -6.577 2.310 1.00 0.00 C ATOM 402 CG PRO A 28 -8.505 -5.787 2.451 1.00 0.00 C ATOM 403 CD PRO A 28 -8.911 -4.469 3.050 1.00 0.00 C ATOM 0 HA PRO A 28 -11.698 -6.143 3.278 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.559 -7.648 2.339 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.253 -6.371 1.360 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.789 -6.303 3.091 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.023 -5.644 1.484 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.135 -4.068 3.701 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.101 -3.720 2.281 1.00 0.00 H new ATOM 411 N SER A 29 -11.353 -8.082 4.755 1.00 0.00 N ATOM 412 CA SER A 29 -11.303 -9.069 5.828 1.00 0.00 C ATOM 413 C SER A 29 -10.244 -10.129 5.544 1.00 0.00 C ATOM 414 O SER A 29 -9.557 -10.078 4.523 1.00 0.00 O ATOM 415 CB SER A 29 -12.671 -9.732 6.005 1.00 0.00 C ATOM 416 OG SER A 29 -13.212 -10.123 4.756 1.00 0.00 O ATOM 0 H SER A 29 -12.123 -8.211 4.099 1.00 0.00 H new ATOM 0 HA SER A 29 -11.036 -8.552 6.750 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.575 -10.604 6.653 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.353 -9.040 6.500 1.00 0.00 H new ATOM 0 HG SER A 29 -14.085 -10.546 4.896 1.00 0.00 H new ATOM 422 N ALA A 30 -10.119 -11.089 6.454 1.00 0.00 N ATOM 423 CA ALA A 30 -9.144 -12.163 6.300 1.00 0.00 C ATOM 424 C ALA A 30 -9.473 -13.033 5.091 1.00 0.00 C ATOM 425 O ALA A 30 -8.694 -13.110 4.142 1.00 0.00 O ATOM 426 CB ALA A 30 -9.091 -13.011 7.563 1.00 0.00 C ATOM 0 H ALA A 30 -10.679 -11.146 7.304 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.165 -11.712 6.136 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.360 -13.809 7.435 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.803 -12.387 8.409 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.073 -13.445 7.751 1.00 0.00 H new ATOM 432 N GLU A 31 -10.630 -13.686 5.133 1.00 0.00 N ATOM 433 CA GLU A 31 -11.057 -14.552 4.041 1.00 0.00 C ATOM 434 C GLU A 31 -10.726 -13.926 2.689 1.00 0.00 C ATOM 435 O GLU A 31 -10.303 -14.616 1.762 1.00 0.00 O ATOM 436 CB GLU A 31 -12.561 -14.823 4.135 1.00 0.00 C ATOM 437 CG GLU A 31 -12.955 -15.657 5.342 1.00 0.00 C ATOM 438 CD GLU A 31 -14.358 -16.222 5.228 1.00 0.00 C ATOM 439 OE1 GLU A 31 -14.806 -16.468 4.088 1.00 0.00 O ATOM 440 OE2 GLU A 31 -15.007 -16.416 6.276 1.00 0.00 O ATOM 0 H GLU A 31 -11.288 -13.632 5.911 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.518 -15.496 4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.091 -13.871 4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.887 -15.334 3.229 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.246 -16.476 5.460 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.886 -15.044 6.241 1.00 0.00 H new ATOM 447 N GLU A 32 -10.920 -12.616 2.587 1.00 0.00 N ATOM 448 CA GLU A 32 -10.643 -11.897 1.348 1.00 0.00 C ATOM 449 C GLU A 32 -9.143 -11.684 1.167 1.00 0.00 C ATOM 450 O GLU A 32 -8.602 -11.891 0.082 1.00 0.00 O ATOM 451 CB GLU A 32 -11.366 -10.549 1.342 1.00 0.00 C ATOM 452 CG GLU A 32 -12.880 -10.670 1.268 1.00 0.00 C ATOM 453 CD GLU A 32 -13.344 -11.454 0.056 1.00 0.00 C ATOM 454 OE1 GLU A 32 -13.069 -11.010 -1.078 1.00 0.00 O ATOM 455 OE2 GLU A 32 -13.982 -12.511 0.242 1.00 0.00 O ATOM 0 H GLU A 32 -11.268 -12.030 3.346 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.009 -12.500 0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.098 -9.998 2.244 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.015 -9.962 0.493 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.247 -11.156 2.172 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.320 -9.673 1.241 1.00 0.00 H new ATOM 462 N LEU A 33 -8.479 -11.265 2.240 1.00 0.00 N ATOM 463 CA LEU A 33 -7.040 -11.023 2.200 1.00 0.00 C ATOM 464 C LEU A 33 -6.304 -12.212 1.594 1.00 0.00 C ATOM 465 O LEU A 33 -5.739 -12.116 0.503 1.00 0.00 O ATOM 466 CB LEU A 33 -6.513 -10.744 3.608 1.00 0.00 C ATOM 467 CG LEU A 33 -6.634 -9.300 4.098 1.00 0.00 C ATOM 468 CD1 LEU A 33 -6.686 -9.253 5.616 1.00 0.00 C ATOM 469 CD2 LEU A 33 -5.477 -8.461 3.576 1.00 0.00 C ATOM 0 H LEU A 33 -8.913 -11.086 3.146 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.859 -10.151 1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.045 -11.389 4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.462 -11.032 3.644 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.563 -8.883 3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.772 -8.217 5.945 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.549 -9.819 5.968 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.775 -9.689 6.025 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.580 -7.437 3.934 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.535 -8.878 3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.486 -8.467 2.486 1.00 0.00 H new ATOM 481 N SER A 34 -6.312 -13.334 2.307 1.00 0.00 N ATOM 482 CA SER A 34 -5.644 -14.542 1.841 1.00 0.00 C ATOM 483 C SER A 34 -5.869 -14.745 0.346 1.00 0.00 C ATOM 484 O SER A 34 -4.925 -14.970 -0.412 1.00 0.00 O ATOM 485 CB SER A 34 -6.148 -15.761 2.615 1.00 0.00 C ATOM 486 OG SER A 34 -5.615 -16.961 2.082 1.00 0.00 O ATOM 0 H SER A 34 -6.775 -13.431 3.211 1.00 0.00 H new ATOM 0 HA SER A 34 -4.575 -14.427 2.017 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.868 -15.670 3.665 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.237 -15.795 2.577 1.00 0.00 H new ATOM 0 HG SER A 34 -5.951 -17.725 2.596 1.00 0.00 H new ATOM 492 N LYS A 35 -7.128 -14.665 -0.073 1.00 0.00 N ATOM 493 CA LYS A 35 -7.481 -14.838 -1.476 1.00 0.00 C ATOM 494 C LYS A 35 -6.702 -13.865 -2.357 1.00 0.00 C ATOM 495 O LYS A 35 -5.878 -14.277 -3.174 1.00 0.00 O ATOM 496 CB LYS A 35 -8.983 -14.631 -1.675 1.00 0.00 C ATOM 497 CG LYS A 35 -9.565 -15.448 -2.816 1.00 0.00 C ATOM 498 CD LYS A 35 -9.552 -14.671 -4.121 1.00 0.00 C ATOM 499 CE LYS A 35 -8.263 -14.902 -4.896 1.00 0.00 C ATOM 500 NZ LYS A 35 -8.476 -14.811 -6.367 1.00 0.00 N ATOM 0 H LYS A 35 -7.921 -14.481 0.541 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.219 -15.855 -1.768 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.502 -14.890 -0.752 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.174 -13.574 -1.862 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.994 -16.369 -2.934 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.588 -15.737 -2.573 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.404 -14.970 -4.732 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.667 -13.607 -3.913 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.519 -14.166 -4.591 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.861 -15.884 -4.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.574 -14.974 -6.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.167 -15.530 -6.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.836 -13.865 -6.608 1.00 0.00 H new ATOM 514 N ILE A 36 -6.968 -12.575 -2.184 1.00 0.00 N ATOM 515 CA ILE A 36 -6.290 -11.545 -2.963 1.00 0.00 C ATOM 516 C ILE A 36 -4.793 -11.818 -3.049 1.00 0.00 C ATOM 517 O ILE A 36 -4.195 -11.728 -4.122 1.00 0.00 O ATOM 518 CB ILE A 36 -6.511 -10.146 -2.357 1.00 0.00 C ATOM 519 CG1 ILE A 36 -8.006 -9.834 -2.273 1.00 0.00 C ATOM 520 CG2 ILE A 36 -5.789 -9.092 -3.183 1.00 0.00 C ATOM 521 CD1 ILE A 36 -8.365 -8.892 -1.145 1.00 0.00 C ATOM 0 H ILE A 36 -7.647 -12.218 -1.512 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.720 -11.571 -3.964 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.099 -10.133 -1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.331 -9.397 -3.217 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.557 -10.766 -2.146 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.954 -8.109 -2.743 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.721 -9.309 -3.196 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.174 -9.102 -4.203 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.441 -8.716 -1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.071 -9.335 -0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.842 -7.945 -1.281 1.00 0.00 H new ATOM 533 N ALA A 37 -4.191 -12.155 -1.912 1.00 0.00 N ATOM 534 CA ALA A 37 -2.763 -12.446 -1.860 1.00 0.00 C ATOM 535 C ALA A 37 -2.348 -13.365 -3.003 1.00 0.00 C ATOM 536 O ALA A 37 -1.302 -13.172 -3.621 1.00 0.00 O ATOM 537 CB ALA A 37 -2.400 -13.068 -0.520 1.00 0.00 C ATOM 0 H ALA A 37 -4.670 -12.233 -1.015 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.221 -11.507 -1.970 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.331 -13.280 -0.495 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.651 -12.375 0.283 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.957 -13.995 -0.386 1.00 0.00 H new ATOM 543 N ASP A 38 -3.175 -14.370 -3.277 1.00 0.00 N ATOM 544 CA ASP A 38 -2.894 -15.321 -4.347 1.00 0.00 C ATOM 545 C ASP A 38 -2.668 -14.598 -5.671 1.00 0.00 C ATOM 546 O ASP A 38 -1.779 -14.957 -6.442 1.00 0.00 O ATOM 547 CB ASP A 38 -4.043 -16.319 -4.485 1.00 0.00 C ATOM 548 CG ASP A 38 -3.641 -17.561 -5.255 1.00 0.00 C ATOM 549 OD1 ASP A 38 -2.507 -18.042 -5.054 1.00 0.00 O ATOM 550 OD2 ASP A 38 -4.461 -18.053 -6.061 1.00 0.00 O ATOM 0 H ASP A 38 -4.044 -14.546 -2.773 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.983 -15.862 -4.090 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.392 -16.607 -3.493 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.880 -15.837 -4.990 1.00 0.00 H new ATOM 555 N SER A 39 -3.481 -13.579 -5.929 1.00 0.00 N ATOM 556 CA SER A 39 -3.374 -12.808 -7.162 1.00 0.00 C ATOM 557 C SER A 39 -2.011 -12.133 -7.265 1.00 0.00 C ATOM 558 O SER A 39 -1.322 -12.250 -8.280 1.00 0.00 O ATOM 559 CB SER A 39 -4.483 -11.756 -7.230 1.00 0.00 C ATOM 560 OG SER A 39 -4.225 -10.685 -6.338 1.00 0.00 O ATOM 0 H SER A 39 -4.222 -13.268 -5.300 1.00 0.00 H new ATOM 0 HA SER A 39 -3.484 -13.496 -8.001 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.565 -11.374 -8.248 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.440 -12.216 -6.984 1.00 0.00 H new ATOM 0 HG SER A 39 -4.536 -10.925 -5.440 1.00 0.00 H new ATOM 566 N VAL A 40 -1.625 -11.427 -6.206 1.00 0.00 N ATOM 567 CA VAL A 40 -0.343 -10.734 -6.175 1.00 0.00 C ATOM 568 C VAL A 40 0.789 -11.688 -5.811 1.00 0.00 C ATOM 569 O VAL A 40 1.885 -11.259 -5.452 1.00 0.00 O ATOM 570 CB VAL A 40 -0.360 -9.568 -5.169 1.00 0.00 C ATOM 571 CG1 VAL A 40 -1.274 -8.455 -5.658 1.00 0.00 C ATOM 572 CG2 VAL A 40 -0.790 -10.057 -3.794 1.00 0.00 C ATOM 0 H VAL A 40 -2.182 -11.320 -5.358 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.173 -10.338 -7.176 1.00 0.00 H new ATOM 0 HB VAL A 40 0.650 -9.167 -5.087 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.274 -7.640 -4.935 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.917 -8.087 -6.620 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.288 -8.840 -5.771 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.796 -9.220 -3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.790 -10.485 -3.857 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.092 -10.817 -3.443 1.00 0.00 H new ATOM 582 N ASN A 41 0.515 -12.986 -5.906 1.00 0.00 N ATOM 583 CA ASN A 41 1.513 -14.002 -5.586 1.00 0.00 C ATOM 584 C ASN A 41 2.205 -13.687 -4.263 1.00 0.00 C ATOM 585 O ASN A 41 3.398 -13.941 -4.098 1.00 0.00 O ATOM 586 CB ASN A 41 2.550 -14.098 -6.706 1.00 0.00 C ATOM 587 CG ASN A 41 3.474 -15.289 -6.536 1.00 0.00 C ATOM 588 OD1 ASN A 41 3.514 -15.911 -5.474 1.00 0.00 O ATOM 589 ND2 ASN A 41 4.223 -15.610 -7.585 1.00 0.00 N ATOM 0 H ASN A 41 -0.387 -13.359 -6.201 1.00 0.00 H new ATOM 0 HA ASN A 41 1.002 -14.960 -5.490 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.039 -14.172 -7.666 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.142 -13.183 -6.730 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.865 -16.401 -7.531 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.156 -15.066 -8.445 1.00 0.00 H new ATOM 596 N LEU A 42 1.447 -13.135 -3.322 1.00 0.00 N ATOM 597 CA LEU A 42 1.985 -12.787 -2.012 1.00 0.00 C ATOM 598 C LEU A 42 1.206 -13.480 -0.901 1.00 0.00 C ATOM 599 O LEU A 42 0.052 -13.875 -1.071 1.00 0.00 O ATOM 600 CB LEU A 42 1.946 -11.270 -1.809 1.00 0.00 C ATOM 601 CG LEU A 42 3.059 -10.474 -2.490 1.00 0.00 C ATOM 602 CD1 LEU A 42 2.754 -8.985 -2.443 1.00 0.00 C ATOM 603 CD2 LEU A 42 4.402 -10.765 -1.836 1.00 0.00 C ATOM 0 H LEU A 42 0.457 -12.919 -3.442 1.00 0.00 H new ATOM 0 HA LEU A 42 3.020 -13.127 -1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.987 -10.899 -2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.983 -11.066 -0.739 1.00 0.00 H new ATOM 0 HG LEU A 42 3.112 -10.782 -3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.557 -8.434 -2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.813 -8.790 -2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.673 -8.663 -1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.182 -10.189 -2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.362 -10.486 -0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.625 -11.828 -1.921 1.00 0.00 H new ATOM 615 N PRO A 43 1.848 -13.631 0.268 1.00 0.00 N ATOM 616 CA PRO A 43 1.231 -14.275 1.432 1.00 0.00 C ATOM 617 C PRO A 43 0.119 -13.430 2.041 1.00 0.00 C ATOM 618 O PRO A 43 -0.157 -12.322 1.577 1.00 0.00 O ATOM 619 CB PRO A 43 2.396 -14.416 2.416 1.00 0.00 C ATOM 620 CG PRO A 43 3.350 -13.338 2.032 1.00 0.00 C ATOM 621 CD PRO A 43 3.224 -13.185 0.542 1.00 0.00 C ATOM 0 HA PRO A 43 0.757 -15.221 1.171 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.060 -14.299 3.446 1.00 0.00 H new ATOM 0 HB3 PRO A 43 2.860 -15.400 2.342 1.00 0.00 H new ATOM 0 HG2 PRO A 43 3.110 -12.405 2.542 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.370 -13.601 2.312 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.381 -12.153 0.229 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.957 -13.794 0.012 1.00 0.00 H new ATOM 629 N LEU A 44 -0.516 -13.957 3.082 1.00 0.00 N ATOM 630 CA LEU A 44 -1.600 -13.250 3.755 1.00 0.00 C ATOM 631 C LEU A 44 -1.050 -12.204 4.720 1.00 0.00 C ATOM 632 O LEU A 44 -1.727 -11.229 5.047 1.00 0.00 O ATOM 633 CB LEU A 44 -2.489 -14.239 4.511 1.00 0.00 C ATOM 634 CG LEU A 44 -3.354 -13.649 5.625 1.00 0.00 C ATOM 635 CD1 LEU A 44 -4.398 -12.704 5.047 1.00 0.00 C ATOM 636 CD2 LEU A 44 -4.021 -14.757 6.427 1.00 0.00 C ATOM 0 H LEU A 44 -0.299 -14.871 3.478 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.196 -12.742 2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.144 -14.731 3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.853 -15.011 4.943 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.710 -13.080 6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.004 -12.294 5.855 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.900 -11.891 4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.038 -13.249 4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.632 -14.318 7.215 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.652 -15.354 5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.257 -15.394 6.873 1.00 0.00 H new ATOM 648 N ASP A 45 0.183 -12.412 5.171 1.00 0.00 N ATOM 649 CA ASP A 45 0.826 -11.484 6.095 1.00 0.00 C ATOM 650 C ASP A 45 1.308 -10.235 5.364 1.00 0.00 C ATOM 651 O ASP A 45 0.951 -9.113 5.727 1.00 0.00 O ATOM 652 CB ASP A 45 2.002 -12.164 6.797 1.00 0.00 C ATOM 653 CG ASP A 45 2.940 -12.850 5.823 1.00 0.00 C ATOM 654 OD1 ASP A 45 3.783 -12.154 5.221 1.00 0.00 O ATOM 655 OD2 ASP A 45 2.829 -14.085 5.662 1.00 0.00 O ATOM 0 H ASP A 45 0.757 -13.215 4.912 1.00 0.00 H new ATOM 0 HA ASP A 45 0.090 -11.185 6.841 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.558 -11.422 7.370 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.622 -12.897 7.508 1.00 0.00 H new ATOM 660 N VAL A 46 2.121 -10.435 4.332 1.00 0.00 N ATOM 661 CA VAL A 46 2.652 -9.325 3.551 1.00 0.00 C ATOM 662 C VAL A 46 1.541 -8.374 3.122 1.00 0.00 C ATOM 663 O VAL A 46 1.715 -7.154 3.129 1.00 0.00 O ATOM 664 CB VAL A 46 3.397 -9.825 2.298 1.00 0.00 C ATOM 665 CG1 VAL A 46 3.668 -8.674 1.343 1.00 0.00 C ATOM 666 CG2 VAL A 46 4.691 -10.520 2.691 1.00 0.00 C ATOM 0 H VAL A 46 2.426 -11.356 4.017 1.00 0.00 H new ATOM 0 HA VAL A 46 3.354 -8.793 4.194 1.00 0.00 H new ATOM 0 HB VAL A 46 2.764 -10.549 1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.195 -9.047 0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.723 -8.225 1.037 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.281 -7.924 1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.205 -10.867 1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.331 -9.820 3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.466 -11.372 3.333 1.00 0.00 H new ATOM 676 N VAL A 47 0.398 -8.938 2.747 1.00 0.00 N ATOM 677 CA VAL A 47 -0.745 -8.141 2.317 1.00 0.00 C ATOM 678 C VAL A 47 -1.398 -7.434 3.499 1.00 0.00 C ATOM 679 O VAL A 47 -1.783 -6.268 3.405 1.00 0.00 O ATOM 680 CB VAL A 47 -1.799 -9.009 1.604 1.00 0.00 C ATOM 681 CG1 VAL A 47 -3.056 -8.200 1.324 1.00 0.00 C ATOM 682 CG2 VAL A 47 -1.230 -9.589 0.318 1.00 0.00 C ATOM 0 H VAL A 47 0.238 -9.945 2.732 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.366 -7.396 1.617 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.068 -9.837 2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.789 -8.830 0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.473 -7.839 2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.808 -7.351 0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.988 -10.199 -0.173 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.932 -8.778 -0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.362 -10.206 0.550 1.00 0.00 H new ATOM 692 N LYS A 48 -1.523 -8.147 4.612 1.00 0.00 N ATOM 693 CA LYS A 48 -2.128 -7.589 5.816 1.00 0.00 C ATOM 694 C LYS A 48 -1.385 -6.336 6.269 1.00 0.00 C ATOM 695 O LYS A 48 -1.990 -5.285 6.479 1.00 0.00 O ATOM 696 CB LYS A 48 -2.130 -8.628 6.940 1.00 0.00 C ATOM 697 CG LYS A 48 -3.375 -9.500 6.960 1.00 0.00 C ATOM 698 CD LYS A 48 -3.247 -10.628 7.970 1.00 0.00 C ATOM 699 CE LYS A 48 -3.690 -10.189 9.356 1.00 0.00 C ATOM 700 NZ LYS A 48 -3.133 -11.068 10.421 1.00 0.00 N ATOM 0 H LYS A 48 -1.213 -9.114 4.706 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.156 -7.315 5.581 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.252 -9.265 6.836 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.040 -8.115 7.898 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.245 -8.889 7.203 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.545 -9.916 5.967 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.849 -11.477 7.647 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.212 -10.967 8.008 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.372 -9.161 9.530 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.779 -10.199 9.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.458 -10.735 11.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.457 -12.045 10.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.094 -11.039 10.387 1.00 0.00 H new ATOM 714 N LYS A 49 -0.070 -6.455 6.416 1.00 0.00 N ATOM 715 CA LYS A 49 0.757 -5.332 6.840 1.00 0.00 C ATOM 716 C LYS A 49 0.487 -4.101 5.980 1.00 0.00 C ATOM 717 O LYS A 49 -0.042 -3.100 6.462 1.00 0.00 O ATOM 718 CB LYS A 49 2.239 -5.705 6.763 1.00 0.00 C ATOM 719 CG LYS A 49 2.779 -6.315 8.046 1.00 0.00 C ATOM 720 CD LYS A 49 2.361 -7.768 8.192 1.00 0.00 C ATOM 721 CE LYS A 49 3.354 -8.550 9.039 1.00 0.00 C ATOM 722 NZ LYS A 49 3.207 -8.244 10.489 1.00 0.00 N ATOM 0 H LYS A 49 0.446 -7.319 6.248 1.00 0.00 H new ATOM 0 HA LYS A 49 0.501 -5.095 7.873 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.386 -6.410 5.945 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.818 -4.813 6.523 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.867 -6.246 8.053 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.418 -5.744 8.901 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.372 -7.819 8.648 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.282 -8.226 7.206 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.208 -9.618 8.876 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.369 -8.314 8.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.901 -8.796 11.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.371 -7.229 10.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.246 -8.492 10.801 1.00 0.00 H new ATOM 736 N TRP A 50 0.852 -4.184 4.706 1.00 0.00 N ATOM 737 CA TRP A 50 0.647 -3.077 3.778 1.00 0.00 C ATOM 738 C TRP A 50 -0.683 -2.383 4.045 1.00 0.00 C ATOM 739 O TRP A 50 -0.724 -1.187 4.334 1.00 0.00 O ATOM 740 CB TRP A 50 0.697 -3.579 2.335 1.00 0.00 C ATOM 741 CG TRP A 50 0.556 -2.485 1.320 1.00 0.00 C ATOM 742 CD1 TRP A 50 1.568 -1.817 0.691 1.00 0.00 C ATOM 743 CD2 TRP A 50 -0.666 -1.930 0.820 1.00 0.00 C ATOM 744 NE1 TRP A 50 1.047 -0.880 -0.170 1.00 0.00 N ATOM 745 CE2 TRP A 50 -0.320 -0.931 -0.110 1.00 0.00 C ATOM 746 CE3 TRP A 50 -2.018 -2.183 1.067 1.00 0.00 C ATOM 747 CZ2 TRP A 50 -1.278 -0.185 -0.791 1.00 0.00 C ATOM 748 CZ3 TRP A 50 -2.967 -1.442 0.389 1.00 0.00 C ATOM 749 CH2 TRP A 50 -2.595 -0.454 -0.530 1.00 0.00 C ATOM 0 H TRP A 50 1.291 -5.006 4.292 1.00 0.00 H new ATOM 0 HA TRP A 50 1.448 -2.354 3.930 1.00 0.00 H new ATOM 0 HB2 TRP A 50 1.642 -4.098 2.171 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.098 -4.309 2.184 1.00 0.00 H new ATOM 0 HD1 TRP A 50 2.621 -1.998 0.847 1.00 0.00 H new ATOM 0 HE1 TRP A 50 1.591 -0.249 -0.758 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -2.315 -2.943 1.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -0.993 0.578 -1.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.015 -1.629 0.572 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -3.362 0.107 -1.043 1.00 0.00 H new ATOM 760 N PHE A 51 -1.771 -3.141 3.943 1.00 0.00 N ATOM 761 CA PHE A 51 -3.106 -2.597 4.173 1.00 0.00 C ATOM 762 C PHE A 51 -3.125 -1.711 5.414 1.00 0.00 C ATOM 763 O PHE A 51 -3.634 -0.592 5.382 1.00 0.00 O ATOM 764 CB PHE A 51 -4.121 -3.731 4.325 1.00 0.00 C ATOM 765 CG PHE A 51 -4.734 -4.165 3.025 1.00 0.00 C ATOM 766 CD1 PHE A 51 -5.405 -3.256 2.222 1.00 0.00 C ATOM 767 CD2 PHE A 51 -4.640 -5.482 2.604 1.00 0.00 C ATOM 768 CE1 PHE A 51 -5.971 -3.651 1.025 1.00 0.00 C ATOM 769 CE2 PHE A 51 -5.204 -5.883 1.408 1.00 0.00 C ATOM 770 CZ PHE A 51 -5.871 -4.967 0.618 1.00 0.00 C ATOM 0 H PHE A 51 -1.755 -4.132 3.703 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.378 -1.989 3.311 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.631 -4.586 4.790 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.913 -3.411 5.002 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.486 -2.226 2.536 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.120 -6.203 3.218 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.491 -2.932 0.409 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.123 -6.912 1.091 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.314 -5.279 -0.316 1.00 0.00 H new ATOM 780 N GLU A 52 -2.568 -2.221 6.508 1.00 0.00 N ATOM 781 CA GLU A 52 -2.523 -1.477 7.761 1.00 0.00 C ATOM 782 C GLU A 52 -1.611 -0.259 7.638 1.00 0.00 C ATOM 783 O GLU A 52 -1.856 0.779 8.254 1.00 0.00 O ATOM 784 CB GLU A 52 -2.038 -2.378 8.899 1.00 0.00 C ATOM 785 CG GLU A 52 -3.100 -3.337 9.410 1.00 0.00 C ATOM 786 CD GLU A 52 -2.720 -3.977 10.732 1.00 0.00 C ATOM 787 OE1 GLU A 52 -2.803 -3.287 11.769 1.00 0.00 O ATOM 788 OE2 GLU A 52 -2.341 -5.167 10.729 1.00 0.00 O ATOM 0 H GLU A 52 -2.142 -3.147 6.552 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.533 -1.133 7.985 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.177 -2.952 8.555 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.696 -1.754 9.725 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.042 -2.801 9.527 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.267 -4.117 8.668 1.00 0.00 H new ATOM 795 N LYS A 53 -0.559 -0.395 6.838 1.00 0.00 N ATOM 796 CA LYS A 53 0.390 0.693 6.633 1.00 0.00 C ATOM 797 C LYS A 53 -0.279 1.878 5.945 1.00 0.00 C ATOM 798 O LYS A 53 -0.246 3.000 6.447 1.00 0.00 O ATOM 799 CB LYS A 53 1.578 0.210 5.797 1.00 0.00 C ATOM 800 CG LYS A 53 2.720 -0.348 6.629 1.00 0.00 C ATOM 801 CD LYS A 53 2.341 -1.665 7.285 1.00 0.00 C ATOM 802 CE LYS A 53 3.323 -2.046 8.381 1.00 0.00 C ATOM 803 NZ LYS A 53 2.941 -3.320 9.052 1.00 0.00 N ATOM 0 H LYS A 53 -0.342 -1.247 6.321 1.00 0.00 H new ATOM 0 HA LYS A 53 0.748 1.018 7.610 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.235 -0.558 5.104 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.949 1.040 5.195 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.595 -0.495 5.996 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.999 0.374 7.396 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.338 -1.588 7.705 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.312 -2.452 6.532 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.321 -2.145 7.955 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.370 -1.246 9.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.717 -3.133 10.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.107 -3.725 8.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.732 -3.993 8.995 1.00 0.00 H new ATOM 817 N MET A 54 -0.889 1.620 4.792 1.00 0.00 N ATOM 818 CA MET A 54 -1.570 2.664 4.037 1.00 0.00 C ATOM 819 C MET A 54 -2.674 3.308 4.871 1.00 0.00 C ATOM 820 O MET A 54 -2.716 4.529 5.023 1.00 0.00 O ATOM 821 CB MET A 54 -2.159 2.090 2.747 1.00 0.00 C ATOM 822 CG MET A 54 -2.436 3.141 1.685 1.00 0.00 C ATOM 823 SD MET A 54 -2.286 2.492 0.009 1.00 0.00 S ATOM 824 CE MET A 54 -3.975 2.647 -0.567 1.00 0.00 C ATOM 0 H MET A 54 -0.925 0.696 4.361 1.00 0.00 H new ATOM 0 HA MET A 54 -0.837 3.430 3.784 1.00 0.00 H new ATOM 0 HB2 MET A 54 -1.471 1.348 2.342 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.087 1.569 2.982 1.00 0.00 H new ATOM 0 HG2 MET A 54 -3.440 3.540 1.827 1.00 0.00 H new ATOM 0 HG3 MET A 54 -1.742 3.972 1.812 1.00 0.00 H new ATOM 0 HE1 MET A 54 -3.976 2.898 -1.628 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.499 1.703 -0.417 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.479 3.435 -0.007 1.00 0.00 H new ATOM 834 N GLN A 55 -3.562 2.478 5.407 1.00 0.00 N ATOM 835 CA GLN A 55 -4.666 2.967 6.225 1.00 0.00 C ATOM 836 C GLN A 55 -4.154 3.843 7.363 1.00 0.00 C ATOM 837 O GLN A 55 -4.793 4.825 7.739 1.00 0.00 O ATOM 838 CB GLN A 55 -5.469 1.794 6.791 1.00 0.00 C ATOM 839 CG GLN A 55 -6.445 1.189 5.794 1.00 0.00 C ATOM 840 CD GLN A 55 -7.367 0.167 6.430 1.00 0.00 C ATOM 841 OE1 GLN A 55 -8.505 0.476 6.784 1.00 0.00 O ATOM 842 NE2 GLN A 55 -6.879 -1.059 6.576 1.00 0.00 N ATOM 0 H GLN A 55 -3.539 1.465 5.290 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.315 3.570 5.590 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.779 1.020 7.127 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.021 2.132 7.668 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.042 1.984 5.347 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.887 0.717 4.985 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.930 -1.270 6.268 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.453 -1.790 6.996 1.00 0.00 H new ATOM 851 N ALA A 56 -2.996 3.482 7.908 1.00 0.00 N ATOM 852 CA ALA A 56 -2.398 4.236 9.002 1.00 0.00 C ATOM 853 C ALA A 56 -1.749 5.519 8.493 1.00 0.00 C ATOM 854 O ALA A 56 -1.684 6.519 9.207 1.00 0.00 O ATOM 855 CB ALA A 56 -1.375 3.381 9.734 1.00 0.00 C ATOM 0 H ALA A 56 -2.454 2.671 7.609 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.191 4.511 9.698 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.936 3.957 10.549 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.864 2.495 10.138 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.591 3.078 9.040 1.00 0.00 H new ATOM 861 N GLY A 57 -1.268 5.483 7.253 1.00 0.00 N ATOM 862 CA GLY A 57 -0.631 6.651 6.671 1.00 0.00 C ATOM 863 C GLY A 57 0.872 6.486 6.545 1.00 0.00 C ATOM 864 O GLY A 57 1.622 7.444 6.727 1.00 0.00 O ATOM 0 H GLY A 57 -1.308 4.667 6.642 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.057 6.841 5.686 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.848 7.524 7.286 1.00 0.00 H new ATOM 868 N GLN A 58 1.309 5.270 6.234 1.00 0.00 N ATOM 869 CA GLN A 58 2.730 4.986 6.086 1.00 0.00 C ATOM 870 C GLN A 58 3.126 4.934 4.614 1.00 0.00 C ATOM 871 O GLN A 58 4.149 5.491 4.215 1.00 0.00 O ATOM 872 CB GLN A 58 3.081 3.660 6.765 1.00 0.00 C ATOM 873 CG GLN A 58 2.743 3.628 8.247 1.00 0.00 C ATOM 874 CD GLN A 58 3.594 4.584 9.060 1.00 0.00 C ATOM 875 OE1 GLN A 58 4.818 4.609 8.927 1.00 0.00 O ATOM 876 NE2 GLN A 58 2.949 5.377 9.909 1.00 0.00 N ATOM 0 H GLN A 58 0.699 4.467 6.080 1.00 0.00 H new ATOM 0 HA GLN A 58 3.286 5.792 6.566 1.00 0.00 H new ATOM 0 HB2 GLN A 58 2.550 2.852 6.262 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.147 3.468 6.639 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.691 3.880 8.381 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.879 2.615 8.625 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.933 5.322 9.987 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.469 6.040 10.483 1.00 0.00 H new ATOM 885 N ILE A 59 2.306 4.264 3.809 1.00 0.00 N ATOM 886 CA ILE A 59 2.570 4.142 2.380 1.00 0.00 C ATOM 887 C ILE A 59 2.542 5.505 1.698 1.00 0.00 C ATOM 888 O ILE A 59 1.483 6.113 1.548 1.00 0.00 O ATOM 889 CB ILE A 59 1.548 3.217 1.696 1.00 0.00 C ATOM 890 CG1 ILE A 59 1.509 1.856 2.396 1.00 0.00 C ATOM 891 CG2 ILE A 59 1.885 3.051 0.223 1.00 0.00 C ATOM 892 CD1 ILE A 59 2.771 1.042 2.204 1.00 0.00 C ATOM 0 H ILE A 59 1.454 3.798 4.122 1.00 0.00 H new ATOM 0 HA ILE A 59 3.565 3.708 2.279 1.00 0.00 H new ATOM 0 HB ILE A 59 0.561 3.673 1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.344 2.009 3.462 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.658 1.287 2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.153 2.394 -0.246 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.865 4.025 -0.267 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.879 2.615 0.124 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.673 0.091 2.727 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.927 0.858 1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.623 1.591 2.606 1.00 0.00 H new ATOM 904 N SER A 60 3.713 5.978 1.284 1.00 0.00 N ATOM 905 CA SER A 60 3.823 7.270 0.618 1.00 0.00 C ATOM 906 C SER A 60 4.396 7.110 -0.787 1.00 0.00 C ATOM 907 O SER A 60 4.996 6.085 -1.113 1.00 0.00 O ATOM 908 CB SER A 60 4.705 8.216 1.437 1.00 0.00 C ATOM 909 OG SER A 60 4.861 9.462 0.781 1.00 0.00 O ATOM 0 H SER A 60 4.599 5.486 1.398 1.00 0.00 H new ATOM 0 HA SER A 60 2.823 7.696 0.537 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.261 8.372 2.420 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.682 7.760 1.597 1.00 0.00 H new ATOM 0 HG SER A 60 5.427 10.049 1.325 1.00 0.00 H new ATOM 915 N VAL A 61 4.207 8.132 -1.616 1.00 0.00 N ATOM 916 CA VAL A 61 4.706 8.108 -2.986 1.00 0.00 C ATOM 917 C VAL A 61 5.974 8.941 -3.124 1.00 0.00 C ATOM 918 O VAL A 61 5.915 10.157 -3.289 1.00 0.00 O ATOM 919 CB VAL A 61 3.650 8.633 -3.977 1.00 0.00 C ATOM 920 CG1 VAL A 61 4.194 8.614 -5.397 1.00 0.00 C ATOM 921 CG2 VAL A 61 2.370 7.814 -3.876 1.00 0.00 C ATOM 0 H VAL A 61 3.712 8.987 -1.363 1.00 0.00 H new ATOM 0 HA VAL A 61 4.931 7.068 -3.222 1.00 0.00 H new ATOM 0 HB VAL A 61 3.415 9.665 -3.717 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.434 8.988 -6.083 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.079 9.247 -5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.459 7.593 -5.671 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.635 8.199 -4.583 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.586 6.771 -4.109 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.972 7.885 -2.864 1.00 0.00 H new ATOM 931 N GLN A 62 7.124 8.274 -3.056 1.00 0.00 N ATOM 932 CA GLN A 62 8.408 8.953 -3.174 1.00 0.00 C ATOM 933 C GLN A 62 8.901 8.939 -4.616 1.00 0.00 C ATOM 934 O GLN A 62 10.087 8.732 -4.876 1.00 0.00 O ATOM 935 CB GLN A 62 9.444 8.293 -2.262 1.00 0.00 C ATOM 936 CG GLN A 62 9.699 6.831 -2.590 1.00 0.00 C ATOM 937 CD GLN A 62 10.814 6.647 -3.600 1.00 0.00 C ATOM 938 OE1 GLN A 62 10.566 6.365 -4.772 1.00 0.00 O ATOM 939 NE2 GLN A 62 12.054 6.805 -3.148 1.00 0.00 N ATOM 0 H GLN A 62 7.191 7.265 -2.920 1.00 0.00 H new ATOM 0 HA GLN A 62 8.271 9.990 -2.866 1.00 0.00 H new ATOM 0 HB2 GLN A 62 10.383 8.842 -2.335 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.108 8.372 -1.228 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.951 6.296 -1.675 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.784 6.385 -2.979 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.214 7.039 -2.168 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.846 6.693 -3.781 1.00 0.00 H new ATOM 948 N SER A 63 7.983 9.160 -5.553 1.00 0.00 N ATOM 949 CA SER A 63 8.324 9.169 -6.972 1.00 0.00 C ATOM 950 C SER A 63 8.997 10.482 -7.360 1.00 0.00 C ATOM 951 O SER A 63 8.326 11.476 -7.637 1.00 0.00 O ATOM 952 CB SER A 63 7.070 8.953 -7.820 1.00 0.00 C ATOM 953 OG SER A 63 6.653 7.600 -7.777 1.00 0.00 O ATOM 0 H SER A 63 6.998 9.335 -5.355 1.00 0.00 H new ATOM 0 HA SER A 63 9.024 8.354 -7.159 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.267 9.596 -7.459 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.270 9.243 -8.852 1.00 0.00 H new ATOM 0 HG SER A 63 5.849 7.488 -8.325 1.00 0.00 H new ATOM 959 N SER A 64 10.326 10.477 -7.379 1.00 0.00 N ATOM 960 CA SER A 64 11.090 11.668 -7.730 1.00 0.00 C ATOM 961 C SER A 64 10.824 12.077 -9.176 1.00 0.00 C ATOM 962 O SER A 64 11.522 12.923 -9.730 1.00 0.00 O ATOM 963 CB SER A 64 12.586 11.419 -7.526 1.00 0.00 C ATOM 964 OG SER A 64 12.886 11.217 -6.156 1.00 0.00 O ATOM 0 H SER A 64 10.896 9.661 -7.155 1.00 0.00 H new ATOM 0 HA SER A 64 10.771 12.480 -7.076 1.00 0.00 H new ATOM 0 HB2 SER A 64 12.895 10.547 -8.102 1.00 0.00 H new ATOM 0 HB3 SER A 64 13.154 12.268 -7.905 1.00 0.00 H new ATOM 0 HG SER A 64 13.847 11.058 -6.052 1.00 0.00 H new TER 970 SER A 64