USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 573 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 51 LYS NZ :NH3+ -149:sc= 0.573 (180deg=0.289) USER MOD Set 1.2: A 61 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 11 ASN :FLIP amide:sc= 0.288 F(o=-0.12,f=0.5) USER MOD Set 2.2: A 73 SER OG : rot 147:sc= 0.208 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 6:sc= 0.978 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 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 12 TYR OH : rot 120:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot -140:sc= -2.95! USER MOD Single : A 17 LYS NZ :NH3+ -132:sc= 0 (180deg=-1.08) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc=-0.00277 K(o=-0.0028,f=-0.77) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.299 USER MOD Single : A 35 HIS :FLIP no HD1:sc= -0.68 F(o=-1.3,f=-0.68) USER MOD Single : A 46 MET CE :methyl 159:sc= -0.0623 (180deg=-0.387) USER MOD Single : A 54 ASN : amide:sc= -4.96! C(o=-5!,f=-18!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.015 F(o=-2.5!,f=-0.015) USER MOD Single : A 65 LYS NZ :NH3+ 148:sc= -0.446 (180deg=-1.42!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN :FLIP amide:sc= -2.29 F(o=-3.4,f=-2.3) USER MOD Single : A 71 THR OG1 : rot 180:sc=0.000158 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.236 -5.409 -17.026 1.00 0.00 N ATOM 2 CA GLY A 1 9.526 -6.632 -17.354 1.00 0.00 C ATOM 3 C GLY A 1 8.975 -6.621 -18.766 1.00 0.00 C ATOM 4 O GLY A 1 8.198 -5.738 -19.130 1.00 0.00 O ATOM 0 H1 GLY A 1 10.593 -5.466 -16.051 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.035 -5.285 -17.681 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.590 -4.599 -17.111 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.198 -7.482 -17.236 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.707 -6.773 -16.649 1.00 0.00 H new ATOM 8 N SER A 2 9.378 -7.603 -19.565 1.00 0.00 N ATOM 9 CA SER A 2 8.924 -7.700 -20.947 1.00 0.00 C ATOM 10 C SER A 2 7.585 -8.426 -21.029 1.00 0.00 C ATOM 11 O SER A 2 7.484 -9.606 -20.694 1.00 0.00 O ATOM 12 CB SER A 2 9.965 -8.429 -21.798 1.00 0.00 C ATOM 13 OG SER A 2 9.958 -9.821 -21.531 1.00 0.00 O ATOM 0 H SER A 2 10.019 -8.343 -19.279 1.00 0.00 H new ATOM 0 HA SER A 2 8.794 -6.689 -21.332 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.760 -8.257 -22.855 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.955 -8.022 -21.595 1.00 0.00 H new ATOM 0 HG SER A 2 9.222 -10.033 -20.920 1.00 0.00 H new ATOM 19 N SER A 3 6.558 -7.711 -21.478 1.00 0.00 N ATOM 20 CA SER A 3 5.223 -8.284 -21.601 1.00 0.00 C ATOM 21 C SER A 3 5.295 -9.734 -22.069 1.00 0.00 C ATOM 22 O SER A 3 6.258 -10.141 -22.718 1.00 0.00 O ATOM 23 CB SER A 3 4.380 -7.462 -22.578 1.00 0.00 C ATOM 24 OG SER A 3 3.877 -6.291 -21.958 1.00 0.00 O ATOM 0 H SER A 3 6.625 -6.734 -21.763 1.00 0.00 H new ATOM 0 HA SER A 3 4.753 -8.261 -20.618 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.984 -7.188 -23.443 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.551 -8.067 -22.946 1.00 0.00 H new ATOM 0 HG SER A 3 3.343 -5.782 -22.604 1.00 0.00 H new ATOM 30 N GLY A 4 4.269 -10.510 -21.734 1.00 0.00 N ATOM 31 CA GLY A 4 4.235 -11.907 -22.127 1.00 0.00 C ATOM 32 C GLY A 4 4.385 -12.845 -20.947 1.00 0.00 C ATOM 33 O GLY A 4 5.298 -13.670 -20.914 1.00 0.00 O ATOM 0 H GLY A 4 3.460 -10.196 -21.197 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.294 -12.115 -22.635 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.034 -12.099 -22.844 1.00 0.00 H new ATOM 37 N SER A 5 3.488 -12.719 -19.974 1.00 0.00 N ATOM 38 CA SER A 5 3.529 -13.560 -18.784 1.00 0.00 C ATOM 39 C SER A 5 2.122 -13.815 -18.251 1.00 0.00 C ATOM 40 O SER A 5 1.252 -12.947 -18.323 1.00 0.00 O ATOM 41 CB SER A 5 4.386 -12.904 -17.699 1.00 0.00 C ATOM 42 OG SER A 5 3.681 -11.855 -17.057 1.00 0.00 O ATOM 0 H SER A 5 2.724 -12.043 -19.987 1.00 0.00 H new ATOM 0 HA SER A 5 3.974 -14.516 -19.060 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.681 -13.652 -16.963 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.302 -12.513 -18.142 1.00 0.00 H new ATOM 0 HG SER A 5 4.249 -11.453 -16.367 1.00 0.00 H new ATOM 48 N SER A 6 1.907 -15.013 -17.715 1.00 0.00 N ATOM 49 CA SER A 6 0.606 -15.385 -17.173 1.00 0.00 C ATOM 50 C SER A 6 0.353 -14.688 -15.840 1.00 0.00 C ATOM 51 O SER A 6 1.289 -14.303 -15.141 1.00 0.00 O ATOM 52 CB SER A 6 0.520 -16.902 -16.993 1.00 0.00 C ATOM 53 OG SER A 6 1.248 -17.322 -15.852 1.00 0.00 O ATOM 0 H SER A 6 2.617 -15.742 -17.645 1.00 0.00 H new ATOM 0 HA SER A 6 -0.159 -15.066 -17.880 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.523 -17.201 -16.893 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.910 -17.399 -17.881 1.00 0.00 H new ATOM 0 HG SER A 6 1.176 -18.295 -15.758 1.00 0.00 H new ATOM 59 N GLY A 7 -0.921 -14.530 -15.494 1.00 0.00 N ATOM 60 CA GLY A 7 -1.276 -13.880 -14.246 1.00 0.00 C ATOM 61 C GLY A 7 -0.525 -12.580 -14.036 1.00 0.00 C ATOM 62 O GLY A 7 0.220 -12.433 -13.066 1.00 0.00 O ATOM 0 H GLY A 7 -1.714 -14.841 -16.056 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.348 -13.683 -14.235 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.067 -14.555 -13.416 1.00 0.00 H new ATOM 66 N THR A 8 -0.720 -11.632 -14.948 1.00 0.00 N ATOM 67 CA THR A 8 -0.053 -10.339 -14.860 1.00 0.00 C ATOM 68 C THR A 8 -0.142 -9.769 -13.448 1.00 0.00 C ATOM 69 O THR A 8 -0.998 -10.171 -12.659 1.00 0.00 O ATOM 70 CB THR A 8 -0.660 -9.326 -15.849 1.00 0.00 C ATOM 71 OG1 THR A 8 0.037 -8.078 -15.762 1.00 0.00 O ATOM 72 CG2 THR A 8 -2.138 -9.107 -15.561 1.00 0.00 C ATOM 0 H THR A 8 -1.334 -11.736 -15.756 1.00 0.00 H new ATOM 0 HA THR A 8 0.993 -10.505 -15.117 1.00 0.00 H new ATOM 0 HB THR A 8 -0.558 -9.730 -16.856 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.354 -7.440 -16.395 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.545 -8.388 -16.272 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.671 -10.053 -15.656 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.258 -8.723 -14.548 1.00 0.00 H new ATOM 80 N LEU A 9 0.746 -8.832 -13.137 1.00 0.00 N ATOM 81 CA LEU A 9 0.768 -8.206 -11.820 1.00 0.00 C ATOM 82 C LEU A 9 0.807 -6.686 -11.940 1.00 0.00 C ATOM 83 O LEU A 9 1.123 -6.145 -12.999 1.00 0.00 O ATOM 84 CB LEU A 9 1.975 -8.697 -11.019 1.00 0.00 C ATOM 85 CG LEU A 9 1.848 -8.621 -9.498 1.00 0.00 C ATOM 86 CD1 LEU A 9 0.772 -9.575 -9.004 1.00 0.00 C ATOM 87 CD2 LEU A 9 3.182 -8.930 -8.835 1.00 0.00 C ATOM 0 H LEU A 9 1.461 -8.489 -13.779 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.146 -8.487 -11.297 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.172 -9.733 -11.296 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.846 -8.115 -11.320 1.00 0.00 H new ATOM 0 HG LEU A 9 1.557 -7.606 -9.227 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.696 -9.507 -7.919 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.185 -9.308 -9.452 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.033 -10.595 -9.286 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.072 -8.871 -7.752 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.503 -9.934 -9.113 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.928 -8.207 -9.164 1.00 0.00 H new ATOM 99 N ARG A 10 0.485 -6.002 -10.846 1.00 0.00 N ATOM 100 CA ARG A 10 0.485 -4.545 -10.828 1.00 0.00 C ATOM 101 C ARG A 10 1.741 -3.992 -11.496 1.00 0.00 C ATOM 102 O ARG A 10 2.708 -4.719 -11.719 1.00 0.00 O ATOM 103 CB ARG A 10 0.391 -4.031 -9.391 1.00 0.00 C ATOM 104 CG ARG A 10 -1.037 -3.827 -8.909 1.00 0.00 C ATOM 105 CD ARG A 10 -1.596 -5.091 -8.274 1.00 0.00 C ATOM 106 NE ARG A 10 -2.119 -6.019 -9.273 1.00 0.00 N ATOM 107 CZ ARG A 10 -3.326 -5.910 -9.817 1.00 0.00 C ATOM 108 NH1 ARG A 10 -4.130 -4.917 -9.461 1.00 0.00 N ATOM 109 NH2 ARG A 10 -3.732 -6.794 -10.719 1.00 0.00 N ATOM 0 H ARG A 10 0.221 -6.435 -9.961 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.385 -4.201 -11.387 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.892 -4.737 -8.728 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.929 -3.086 -9.316 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.065 -3.012 -8.186 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.667 -3.531 -9.748 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.814 -5.583 -7.696 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.389 -4.826 -7.575 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.525 -6.793 -9.569 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.822 -4.235 -8.768 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.056 -4.836 -9.880 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.117 -7.559 -10.996 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.659 -6.709 -11.135 1.00 0.00 H new ATOM 123 N ASN A 11 1.718 -2.702 -11.813 1.00 0.00 N ATOM 124 CA ASN A 11 2.854 -2.052 -12.456 1.00 0.00 C ATOM 125 C ASN A 11 3.536 -1.078 -11.501 1.00 0.00 C ATOM 126 O ASN A 11 3.418 0.139 -11.650 1.00 0.00 O ATOM 127 CB ASN A 11 2.400 -1.314 -13.717 1.00 0.00 C ATOM 128 CG ASN A 11 3.567 -0.821 -14.550 1.00 0.00 C ATOM 129 OD1 ASN A 11 3.675 0.494 -14.696 1.00 0.00 O flip ATOM 130 ND2 ASN A 11 4.361 -1.614 -15.057 1.00 0.00 N flip ATOM 0 H ASN A 11 0.925 -2.086 -11.635 1.00 0.00 H new ATOM 0 HA ASN A 11 3.572 -2.824 -12.734 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.781 -1.978 -14.320 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.776 -0.467 -13.434 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.239 -2.617 -14.918 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.141 -1.268 -15.616 1.00 0.00 H new ATOM 137 N TYR A 12 4.249 -1.620 -10.520 1.00 0.00 N ATOM 138 CA TYR A 12 4.948 -0.799 -9.539 1.00 0.00 C ATOM 139 C TYR A 12 6.081 -0.015 -10.194 1.00 0.00 C ATOM 140 O TYR A 12 6.666 -0.435 -11.193 1.00 0.00 O ATOM 141 CB TYR A 12 5.503 -1.674 -8.413 1.00 0.00 C ATOM 142 CG TYR A 12 4.459 -2.550 -7.758 1.00 0.00 C ATOM 143 CD1 TYR A 12 3.124 -2.168 -7.725 1.00 0.00 C ATOM 144 CD2 TYR A 12 4.809 -3.761 -7.172 1.00 0.00 C ATOM 145 CE1 TYR A 12 2.168 -2.966 -7.126 1.00 0.00 C ATOM 146 CE2 TYR A 12 3.859 -4.565 -6.573 1.00 0.00 C ATOM 147 CZ TYR A 12 2.540 -4.163 -6.552 1.00 0.00 C ATOM 148 OH TYR A 12 1.590 -4.961 -5.956 1.00 0.00 O ATOM 0 H TYR A 12 4.358 -2.625 -10.383 1.00 0.00 H new ATOM 0 HA TYR A 12 4.234 -0.090 -9.121 1.00 0.00 H new ATOM 0 HB2 TYR A 12 6.297 -2.305 -8.812 1.00 0.00 H new ATOM 0 HB3 TYR A 12 5.955 -1.034 -7.656 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.828 -1.232 -8.175 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.841 -4.079 -7.185 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.134 -2.653 -7.108 1.00 0.00 H new ATOM 0 HE2 TYR A 12 4.148 -5.504 -6.123 1.00 0.00 H new ATOM 0 HH TYR A 12 1.566 -5.832 -6.405 1.00 0.00 H new ATOM 158 N PRO A 13 6.401 1.154 -9.617 1.00 0.00 N ATOM 159 CA PRO A 13 5.712 1.664 -8.429 1.00 0.00 C ATOM 160 C PRO A 13 4.279 2.091 -8.728 1.00 0.00 C ATOM 161 O PRO A 13 3.916 2.319 -9.883 1.00 0.00 O ATOM 162 CB PRO A 13 6.556 2.874 -8.021 1.00 0.00 C ATOM 163 CG PRO A 13 7.217 3.316 -9.281 1.00 0.00 C ATOM 164 CD PRO A 13 7.458 2.067 -10.082 1.00 0.00 C ATOM 0 HA PRO A 13 5.626 0.905 -7.651 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.936 3.666 -7.600 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.290 2.607 -7.261 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.585 4.015 -9.829 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.154 3.831 -9.070 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.383 2.256 -11.153 1.00 0.00 H new ATOM 0 HD3 PRO A 13 8.452 1.658 -9.899 1.00 0.00 H new ATOM 172 N LEU A 14 3.468 2.199 -7.681 1.00 0.00 N ATOM 173 CA LEU A 14 2.073 2.600 -7.832 1.00 0.00 C ATOM 174 C LEU A 14 1.582 3.340 -6.592 1.00 0.00 C ATOM 175 O LEU A 14 1.645 2.819 -5.478 1.00 0.00 O ATOM 176 CB LEU A 14 1.195 1.374 -8.089 1.00 0.00 C ATOM 177 CG LEU A 14 1.289 0.762 -9.487 1.00 0.00 C ATOM 178 CD1 LEU A 14 0.831 -0.688 -9.467 1.00 0.00 C ATOM 179 CD2 LEU A 14 0.464 1.570 -10.479 1.00 0.00 C ATOM 0 H LEU A 14 3.752 2.015 -6.719 1.00 0.00 H new ATOM 0 HA LEU A 14 2.005 3.274 -8.686 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.455 0.607 -7.360 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.157 1.650 -7.904 1.00 0.00 H new ATOM 0 HG LEU A 14 2.331 0.788 -9.805 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.905 -1.107 -10.471 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.463 -1.260 -8.788 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.204 -0.738 -9.128 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.542 1.120 -11.469 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.580 1.576 -10.165 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.838 2.593 -10.515 1.00 0.00 H new ATOM 191 N THR A 15 1.091 4.559 -6.792 1.00 0.00 N ATOM 192 CA THR A 15 0.589 5.371 -5.691 1.00 0.00 C ATOM 193 C THR A 15 -0.853 5.008 -5.354 1.00 0.00 C ATOM 194 O THR A 15 -1.699 4.896 -6.241 1.00 0.00 O ATOM 195 CB THR A 15 0.663 6.874 -6.022 1.00 0.00 C ATOM 196 OG1 THR A 15 1.965 7.202 -6.519 1.00 0.00 O ATOM 197 CG2 THR A 15 0.357 7.715 -4.792 1.00 0.00 C ATOM 0 H THR A 15 1.030 5.006 -7.707 1.00 0.00 H new ATOM 0 HA THR A 15 1.225 5.164 -4.830 1.00 0.00 H new ATOM 0 HB THR A 15 -0.083 7.093 -6.786 1.00 0.00 H new ATOM 0 HG1 THR A 15 2.004 8.159 -6.729 1.00 0.00 H new ATOM 0 HG21 THR A 15 0.415 8.772 -5.050 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.646 7.484 -4.434 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.082 7.492 -4.009 1.00 0.00 H new ATOM 205 N CYS A 16 -1.125 4.825 -4.066 1.00 0.00 N ATOM 206 CA CYS A 16 -2.466 4.474 -3.611 1.00 0.00 C ATOM 207 C CYS A 16 -2.977 5.486 -2.591 1.00 0.00 C ATOM 208 O CYS A 16 -2.233 6.356 -2.137 1.00 0.00 O ATOM 209 CB CYS A 16 -2.469 3.072 -3.001 1.00 0.00 C ATOM 210 SG CYS A 16 -1.250 2.836 -1.687 1.00 0.00 S ATOM 0 H CYS A 16 -0.436 4.914 -3.319 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.131 4.489 -4.475 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.462 2.863 -2.603 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.282 2.344 -3.790 1.00 0.00 H new ATOM 0 HG CYS A 16 -0.714 1.657 -1.799 1.00 0.00 H new ATOM 216 N LYS A 17 -4.251 5.369 -2.236 1.00 0.00 N ATOM 217 CA LYS A 17 -4.864 6.273 -1.270 1.00 0.00 C ATOM 218 C LYS A 17 -5.580 5.493 -0.172 1.00 0.00 C ATOM 219 O LYS A 17 -6.642 4.913 -0.401 1.00 0.00 O ATOM 220 CB LYS A 17 -5.849 7.210 -1.971 1.00 0.00 C ATOM 221 CG LYS A 17 -6.746 7.976 -1.014 1.00 0.00 C ATOM 222 CD LYS A 17 -6.020 9.158 -0.394 1.00 0.00 C ATOM 223 CE LYS A 17 -6.181 10.415 -1.234 1.00 0.00 C ATOM 224 NZ LYS A 17 -5.447 11.571 -0.650 1.00 0.00 N ATOM 0 H LYS A 17 -4.881 4.656 -2.603 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.072 6.866 -0.812 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.291 7.921 -2.580 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.471 6.627 -2.651 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.630 8.329 -1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.094 7.308 -0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.406 9.338 0.609 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.961 8.922 -0.290 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.816 10.226 -2.244 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.239 10.662 -1.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.072 12.402 -0.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.142 11.336 0.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.613 11.784 -1.234 1.00 0.00 H new ATOM 238 N VAL A 18 -4.994 5.484 1.021 1.00 0.00 N ATOM 239 CA VAL A 18 -5.579 4.778 2.155 1.00 0.00 C ATOM 240 C VAL A 18 -6.962 5.325 2.490 1.00 0.00 C ATOM 241 O VAL A 18 -7.091 6.402 3.073 1.00 0.00 O ATOM 242 CB VAL A 18 -4.682 4.880 3.402 1.00 0.00 C ATOM 243 CG1 VAL A 18 -5.304 4.130 4.570 1.00 0.00 C ATOM 244 CG2 VAL A 18 -3.288 4.353 3.101 1.00 0.00 C ATOM 0 H VAL A 18 -4.115 5.958 1.227 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.667 3.731 1.865 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.595 5.930 3.680 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.656 4.213 5.442 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.279 4.559 4.800 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.423 3.079 4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.668 4.433 3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.352 3.308 2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.843 4.939 2.297 1.00 0.00 H new ATOM 254 N VAL A 19 -7.995 4.576 2.117 1.00 0.00 N ATOM 255 CA VAL A 19 -9.369 4.985 2.380 1.00 0.00 C ATOM 256 C VAL A 19 -9.834 4.504 3.750 1.00 0.00 C ATOM 257 O VAL A 19 -10.701 5.117 4.374 1.00 0.00 O ATOM 258 CB VAL A 19 -10.331 4.444 1.305 1.00 0.00 C ATOM 259 CG1 VAL A 19 -10.287 5.319 0.061 1.00 0.00 C ATOM 260 CG2 VAL A 19 -9.991 3.001 0.964 1.00 0.00 C ATOM 0 H VAL A 19 -7.906 3.683 1.632 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.384 6.075 2.357 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.345 4.470 1.703 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.973 4.922 -0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.582 6.336 0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.274 5.327 -0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.680 2.635 0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.970 2.947 0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.078 2.385 1.859 1.00 0.00 H new ATOM 270 N TYR A 20 -9.252 3.403 4.212 1.00 0.00 N ATOM 271 CA TYR A 20 -9.608 2.837 5.508 1.00 0.00 C ATOM 272 C TYR A 20 -8.377 2.702 6.400 1.00 0.00 C ATOM 273 O TYR A 20 -7.454 1.947 6.092 1.00 0.00 O ATOM 274 CB TYR A 20 -10.273 1.472 5.327 1.00 0.00 C ATOM 275 CG TYR A 20 -11.615 1.539 4.633 1.00 0.00 C ATOM 276 CD1 TYR A 20 -12.784 1.739 5.357 1.00 0.00 C ATOM 277 CD2 TYR A 20 -11.714 1.402 3.254 1.00 0.00 C ATOM 278 CE1 TYR A 20 -14.012 1.801 4.727 1.00 0.00 C ATOM 279 CE2 TYR A 20 -12.937 1.463 2.616 1.00 0.00 C ATOM 280 CZ TYR A 20 -14.083 1.663 3.357 1.00 0.00 C ATOM 281 OH TYR A 20 -15.304 1.723 2.725 1.00 0.00 O ATOM 0 H TYR A 20 -8.532 2.885 3.709 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.312 3.515 5.991 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.608 0.827 4.753 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.402 1.008 6.305 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -12.732 1.848 6.430 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -10.819 1.245 2.671 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -14.911 1.957 5.304 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -12.996 1.355 1.543 1.00 0.00 H new ATOM 0 HH TYR A 20 -15.179 1.609 1.760 1.00 0.00 H new ATOM 291 N SER A 21 -8.372 3.438 7.506 1.00 0.00 N ATOM 292 CA SER A 21 -7.254 3.403 8.442 1.00 0.00 C ATOM 293 C SER A 21 -7.022 1.987 8.960 1.00 0.00 C ATOM 294 O SER A 21 -7.961 1.201 9.092 1.00 0.00 O ATOM 295 CB SER A 21 -7.514 4.351 9.615 1.00 0.00 C ATOM 296 OG SER A 21 -8.600 3.897 10.406 1.00 0.00 O ATOM 0 H SER A 21 -9.129 4.066 7.776 1.00 0.00 H new ATOM 0 HA SER A 21 -6.359 3.728 7.912 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.618 4.427 10.231 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.727 5.351 9.238 1.00 0.00 H new ATOM 0 HG SER A 21 -8.745 4.518 11.150 1.00 0.00 H new ATOM 302 N TYR A 22 -5.766 1.669 9.250 1.00 0.00 N ATOM 303 CA TYR A 22 -5.409 0.346 9.750 1.00 0.00 C ATOM 304 C TYR A 22 -4.172 0.417 10.641 1.00 0.00 C ATOM 305 O TYR A 22 -3.091 0.801 10.194 1.00 0.00 O ATOM 306 CB TYR A 22 -5.158 -0.612 8.585 1.00 0.00 C ATOM 307 CG TYR A 22 -4.488 -1.904 8.997 1.00 0.00 C ATOM 308 CD1 TYR A 22 -3.103 -2.013 9.024 1.00 0.00 C ATOM 309 CD2 TYR A 22 -5.240 -3.015 9.359 1.00 0.00 C ATOM 310 CE1 TYR A 22 -2.487 -3.191 9.399 1.00 0.00 C ATOM 311 CE2 TYR A 22 -4.632 -4.196 9.736 1.00 0.00 C ATOM 312 CZ TYR A 22 -3.256 -4.280 9.755 1.00 0.00 C ATOM 313 OH TYR A 22 -2.646 -5.456 10.129 1.00 0.00 O ATOM 0 H TYR A 22 -4.978 2.308 9.148 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.243 -0.027 10.345 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -6.109 -0.843 8.104 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.538 -0.112 7.841 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.498 -1.162 8.747 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.318 -2.954 9.345 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.409 -3.259 9.414 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.232 -5.050 10.015 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.329 -6.123 10.349 1.00 0.00 H new ATOM 323 N LYS A 23 -4.339 0.043 11.905 1.00 0.00 N ATOM 324 CA LYS A 23 -3.238 0.060 12.861 1.00 0.00 C ATOM 325 C LYS A 23 -2.375 -1.190 12.720 1.00 0.00 C ATOM 326 O LYS A 23 -2.850 -2.308 12.916 1.00 0.00 O ATOM 327 CB LYS A 23 -3.777 0.163 14.289 1.00 0.00 C ATOM 328 CG LYS A 23 -2.707 0.006 15.356 1.00 0.00 C ATOM 329 CD LYS A 23 -2.063 1.338 15.700 1.00 0.00 C ATOM 330 CE LYS A 23 -0.637 1.156 16.197 1.00 0.00 C ATOM 331 NZ LYS A 23 -0.160 2.343 16.960 1.00 0.00 N ATOM 0 H LYS A 23 -5.227 -0.276 12.292 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.619 0.932 12.649 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.265 1.129 14.415 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.540 -0.601 14.436 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.148 -0.429 16.253 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.943 -0.689 15.007 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.063 1.981 14.820 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.654 1.843 16.464 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.584 0.271 16.831 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.024 0.980 15.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.816 2.180 17.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.187 3.183 16.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.775 2.496 17.784 1.00 0.00 H new ATOM 345 N ALA A 24 -1.106 -0.992 12.381 1.00 0.00 N ATOM 346 CA ALA A 24 -0.177 -2.103 12.218 1.00 0.00 C ATOM 347 C ALA A 24 0.029 -2.844 13.534 1.00 0.00 C ATOM 348 O ALA A 24 0.418 -2.248 14.539 1.00 0.00 O ATOM 349 CB ALA A 24 1.155 -1.603 11.677 1.00 0.00 C ATOM 0 H ALA A 24 -0.697 -0.072 12.214 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.608 -2.802 11.501 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.839 -2.444 11.560 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.999 -1.125 10.710 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.583 -0.881 12.373 1.00 0.00 H new ATOM 355 N SER A 25 -0.234 -4.147 13.523 1.00 0.00 N ATOM 356 CA SER A 25 -0.082 -4.968 14.718 1.00 0.00 C ATOM 357 C SER A 25 1.359 -5.447 14.868 1.00 0.00 C ATOM 358 O SER A 25 1.880 -5.540 15.979 1.00 0.00 O ATOM 359 CB SER A 25 -1.028 -6.170 14.661 1.00 0.00 C ATOM 360 OG SER A 25 -1.410 -6.580 15.962 1.00 0.00 O ATOM 0 H SER A 25 -0.553 -4.657 12.699 1.00 0.00 H new ATOM 0 HA SER A 25 -0.335 -4.356 15.584 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.915 -5.912 14.083 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.540 -6.997 14.144 1.00 0.00 H new ATOM 0 HG SER A 25 -2.015 -7.348 15.898 1.00 0.00 H new ATOM 366 N GLN A 26 1.995 -5.751 13.741 1.00 0.00 N ATOM 367 CA GLN A 26 3.375 -6.221 13.746 1.00 0.00 C ATOM 368 C GLN A 26 4.332 -5.105 13.340 1.00 0.00 C ATOM 369 O GLN A 26 3.961 -4.158 12.646 1.00 0.00 O ATOM 370 CB GLN A 26 3.533 -7.414 12.802 1.00 0.00 C ATOM 371 CG GLN A 26 3.214 -8.751 13.452 1.00 0.00 C ATOM 372 CD GLN A 26 3.200 -9.895 12.458 1.00 0.00 C ATOM 373 OE1 GLN A 26 2.787 -9.729 11.309 1.00 0.00 O ATOM 374 NE2 GLN A 26 3.653 -11.064 12.894 1.00 0.00 N ATOM 0 H GLN A 26 1.577 -5.680 12.813 1.00 0.00 H new ATOM 0 HA GLN A 26 3.622 -6.535 14.760 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.881 -7.274 11.940 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.556 -7.437 12.427 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.951 -8.958 14.228 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.243 -8.689 13.943 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.986 -11.156 13.854 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.669 -11.870 12.269 1.00 0.00 H new ATOM 383 N PRO A 27 5.594 -5.217 13.781 1.00 0.00 N ATOM 384 CA PRO A 27 6.630 -4.227 13.475 1.00 0.00 C ATOM 385 C PRO A 27 7.038 -4.250 12.006 1.00 0.00 C ATOM 386 O PRO A 27 7.493 -3.243 11.463 1.00 0.00 O ATOM 387 CB PRO A 27 7.802 -4.654 14.363 1.00 0.00 C ATOM 388 CG PRO A 27 7.595 -6.112 14.588 1.00 0.00 C ATOM 389 CD PRO A 27 6.106 -6.319 14.613 1.00 0.00 C ATOM 0 HA PRO A 27 6.288 -3.209 13.658 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.758 -4.460 13.877 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.806 -4.105 15.304 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.057 -6.699 13.794 1.00 0.00 H new ATOM 0 HG3 PRO A 27 8.049 -6.431 15.526 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.829 -7.292 14.207 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.711 -6.273 15.628 1.00 0.00 H new ATOM 397 N ASP A 28 6.873 -5.404 11.369 1.00 0.00 N ATOM 398 CA ASP A 28 7.223 -5.557 9.962 1.00 0.00 C ATOM 399 C ASP A 28 6.160 -4.930 9.066 1.00 0.00 C ATOM 400 O ASP A 28 6.383 -4.724 7.873 1.00 0.00 O ATOM 401 CB ASP A 28 7.391 -7.037 9.615 1.00 0.00 C ATOM 402 CG ASP A 28 8.546 -7.679 10.359 1.00 0.00 C ATOM 403 OD1 ASP A 28 9.654 -7.102 10.346 1.00 0.00 O ATOM 404 OD2 ASP A 28 8.341 -8.757 10.955 1.00 0.00 O ATOM 0 H ASP A 28 6.499 -6.247 11.805 1.00 0.00 H new ATOM 0 HA ASP A 28 8.168 -5.041 9.790 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.470 -7.569 9.851 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.552 -7.140 8.542 1.00 0.00 H new ATOM 409 N GLU A 29 5.004 -4.628 9.650 1.00 0.00 N ATOM 410 CA GLU A 29 3.906 -4.026 8.903 1.00 0.00 C ATOM 411 C GLU A 29 4.094 -2.516 8.782 1.00 0.00 C ATOM 412 O GLU A 29 5.042 -1.951 9.329 1.00 0.00 O ATOM 413 CB GLU A 29 2.569 -4.332 9.581 1.00 0.00 C ATOM 414 CG GLU A 29 2.159 -5.793 9.487 1.00 0.00 C ATOM 415 CD GLU A 29 2.327 -6.356 8.089 1.00 0.00 C ATOM 416 OE1 GLU A 29 1.474 -6.062 7.226 1.00 0.00 O ATOM 417 OE2 GLU A 29 3.309 -7.092 7.859 1.00 0.00 O ATOM 0 H GLU A 29 4.804 -4.790 10.637 1.00 0.00 H new ATOM 0 HA GLU A 29 3.903 -4.456 7.901 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.630 -4.047 10.631 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.792 -3.716 9.129 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.756 -6.380 10.185 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.118 -5.895 9.793 1.00 0.00 H new ATOM 424 N LEU A 30 3.184 -1.869 8.063 1.00 0.00 N ATOM 425 CA LEU A 30 3.248 -0.424 7.870 1.00 0.00 C ATOM 426 C LEU A 30 1.959 0.245 8.336 1.00 0.00 C ATOM 427 O LEU A 30 0.903 0.080 7.723 1.00 0.00 O ATOM 428 CB LEU A 30 3.501 -0.098 6.397 1.00 0.00 C ATOM 429 CG LEU A 30 4.289 1.183 6.119 1.00 0.00 C ATOM 430 CD1 LEU A 30 3.448 2.408 6.441 1.00 0.00 C ATOM 431 CD2 LEU A 30 5.583 1.197 6.921 1.00 0.00 C ATOM 0 H LEU A 30 2.393 -2.321 7.604 1.00 0.00 H new ATOM 0 HA LEU A 30 4.073 -0.038 8.469 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.036 -0.935 5.947 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.538 -0.026 5.891 1.00 0.00 H new ATOM 0 HG LEU A 30 4.541 1.209 5.059 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.025 3.310 6.237 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.550 2.405 5.824 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.165 2.389 7.493 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.131 2.115 6.711 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.352 1.147 7.985 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.193 0.338 6.642 1.00 0.00 H new ATOM 443 N THR A 31 2.052 1.004 9.423 1.00 0.00 N ATOM 444 CA THR A 31 0.895 1.700 9.971 1.00 0.00 C ATOM 445 C THR A 31 0.344 2.718 8.979 1.00 0.00 C ATOM 446 O THR A 31 1.049 3.638 8.563 1.00 0.00 O ATOM 447 CB THR A 31 1.243 2.421 11.287 1.00 0.00 C ATOM 448 OG1 THR A 31 1.808 1.492 12.219 1.00 0.00 O ATOM 449 CG2 THR A 31 0.007 3.067 11.894 1.00 0.00 C ATOM 0 H THR A 31 2.918 1.152 9.942 1.00 0.00 H new ATOM 0 HA THR A 31 0.137 0.942 10.170 1.00 0.00 H new ATOM 0 HB THR A 31 1.970 3.202 11.066 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.028 1.958 13.053 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.278 3.570 12.822 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.404 3.794 11.194 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.740 2.300 12.101 1.00 0.00 H new ATOM 457 N ILE A 32 -0.919 2.547 8.603 1.00 0.00 N ATOM 458 CA ILE A 32 -1.564 3.453 7.660 1.00 0.00 C ATOM 459 C ILE A 32 -2.778 4.127 8.289 1.00 0.00 C ATOM 460 O ILE A 32 -3.299 3.667 9.304 1.00 0.00 O ATOM 461 CB ILE A 32 -2.005 2.714 6.382 1.00 0.00 C ATOM 462 CG1 ILE A 32 -3.080 1.677 6.712 1.00 0.00 C ATOM 463 CG2 ILE A 32 -0.809 2.053 5.714 1.00 0.00 C ATOM 464 CD1 ILE A 32 -3.638 0.977 5.493 1.00 0.00 C ATOM 0 H ILE A 32 -1.516 1.790 8.937 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.827 4.211 7.395 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.429 3.439 5.687 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.660 0.932 7.388 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.895 2.167 7.244 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.136 1.535 4.813 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.074 2.813 5.449 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.358 1.337 6.401 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.395 0.256 5.802 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.088 1.712 4.826 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.834 0.458 4.972 1.00 0.00 H new ATOM 476 N GLU A 33 -3.225 5.219 7.676 1.00 0.00 N ATOM 477 CA GLU A 33 -4.379 5.957 8.177 1.00 0.00 C ATOM 478 C GLU A 33 -5.157 6.593 7.028 1.00 0.00 C ATOM 479 O GLU A 33 -4.601 6.870 5.967 1.00 0.00 O ATOM 480 CB GLU A 33 -3.934 7.036 9.166 1.00 0.00 C ATOM 481 CG GLU A 33 -3.886 6.558 10.607 1.00 0.00 C ATOM 482 CD GLU A 33 -3.114 7.502 11.509 1.00 0.00 C ATOM 483 OE1 GLU A 33 -1.867 7.448 11.494 1.00 0.00 O ATOM 484 OE2 GLU A 33 -3.758 8.293 12.230 1.00 0.00 O ATOM 0 H GLU A 33 -2.806 5.612 6.833 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.033 5.253 8.691 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.946 7.396 8.878 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.615 7.884 9.096 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.903 6.451 10.985 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.427 5.570 10.643 1.00 0.00 H new ATOM 491 N GLU A 34 -6.448 6.822 7.251 1.00 0.00 N ATOM 492 CA GLU A 34 -7.303 7.424 6.234 1.00 0.00 C ATOM 493 C GLU A 34 -6.661 8.685 5.662 1.00 0.00 C ATOM 494 O GLU A 34 -6.029 9.456 6.384 1.00 0.00 O ATOM 495 CB GLU A 34 -8.675 7.758 6.823 1.00 0.00 C ATOM 496 CG GLU A 34 -9.704 8.159 5.779 1.00 0.00 C ATOM 497 CD GLU A 34 -11.050 8.499 6.388 1.00 0.00 C ATOM 498 OE1 GLU A 34 -11.076 8.978 7.541 1.00 0.00 O ATOM 499 OE2 GLU A 34 -12.078 8.286 5.711 1.00 0.00 O ATOM 0 H GLU A 34 -6.924 6.600 8.125 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.429 6.703 5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.046 6.893 7.373 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.565 8.569 7.543 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.334 9.019 5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.828 7.345 5.065 1.00 0.00 H new ATOM 506 N HIS A 35 -6.828 8.887 4.359 1.00 0.00 N ATOM 507 CA HIS A 35 -6.266 10.054 3.688 1.00 0.00 C ATOM 508 C HIS A 35 -4.742 10.025 3.733 1.00 0.00 C ATOM 509 O HIS A 35 -4.101 11.030 4.039 1.00 0.00 O ATOM 510 CB HIS A 35 -6.782 11.339 4.337 1.00 0.00 C ATOM 511 CG HIS A 35 -8.276 11.418 4.405 1.00 0.00 C ATOM 512 ND1 HIS A 35 -9.111 11.504 5.468 1.00 0.00 N flip ATOM 513 CD2 HIS A 35 -9.082 11.411 3.286 1.00 0.00 C flip ATOM 514 CE1 HIS A 35 -10.392 11.548 4.976 1.00 0.00 C flip ATOM 515 NE2 HIS A 35 -10.347 11.491 3.657 1.00 0.00 N flip ATOM 0 H HIS A 35 -7.348 8.258 3.747 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.582 10.030 2.645 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.376 11.415 5.346 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.406 12.195 3.777 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.733 11.350 2.266 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.291 11.618 5.571 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -11.152 11.506 3.031 1.00 0.00 H new ATOM 524 N GLU A 36 -4.168 8.865 3.426 1.00 0.00 N ATOM 525 CA GLU A 36 -2.719 8.705 3.433 1.00 0.00 C ATOM 526 C GLU A 36 -2.232 8.095 2.122 1.00 0.00 C ATOM 527 O GLU A 36 -2.391 6.897 1.885 1.00 0.00 O ATOM 528 CB GLU A 36 -2.286 7.827 4.609 1.00 0.00 C ATOM 529 CG GLU A 36 -0.785 7.829 4.850 1.00 0.00 C ATOM 530 CD GLU A 36 -0.404 7.164 6.158 1.00 0.00 C ATOM 531 OE1 GLU A 36 -1.180 7.276 7.130 1.00 0.00 O ATOM 532 OE2 GLU A 36 0.672 6.532 6.210 1.00 0.00 O ATOM 0 H GLU A 36 -4.684 8.024 3.170 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.271 9.693 3.542 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.791 8.169 5.512 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.615 6.804 4.428 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.288 7.315 4.027 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.422 8.857 4.850 1.00 0.00 H new ATOM 539 N VAL A 37 -1.639 8.927 1.272 1.00 0.00 N ATOM 540 CA VAL A 37 -1.129 8.470 -0.015 1.00 0.00 C ATOM 541 C VAL A 37 0.224 7.786 0.142 1.00 0.00 C ATOM 542 O VAL A 37 1.192 8.396 0.598 1.00 0.00 O ATOM 543 CB VAL A 37 -0.989 9.638 -1.010 1.00 0.00 C ATOM 544 CG1 VAL A 37 -0.434 9.145 -2.338 1.00 0.00 C ATOM 545 CG2 VAL A 37 -2.328 10.332 -1.207 1.00 0.00 C ATOM 0 H VAL A 37 -1.500 9.921 1.452 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.852 7.754 -0.406 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.287 10.362 -0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.342 9.984 -3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.547 8.697 -2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.109 8.400 -2.760 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.211 11.154 -1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.053 9.619 -1.598 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.680 10.721 -0.252 1.00 0.00 H new ATOM 555 N LEU A 38 0.286 6.515 -0.240 1.00 0.00 N ATOM 556 CA LEU A 38 1.522 5.746 -0.142 1.00 0.00 C ATOM 557 C LEU A 38 2.064 5.410 -1.528 1.00 0.00 C ATOM 558 O LEU A 38 1.493 5.808 -2.542 1.00 0.00 O ATOM 559 CB LEU A 38 1.284 4.460 0.651 1.00 0.00 C ATOM 560 CG LEU A 38 0.521 4.614 1.967 1.00 0.00 C ATOM 561 CD1 LEU A 38 -0.059 3.279 2.407 1.00 0.00 C ATOM 562 CD2 LEU A 38 1.429 5.185 3.046 1.00 0.00 C ATOM 0 H LEU A 38 -0.505 5.995 -0.620 1.00 0.00 H new ATOM 0 HA LEU A 38 2.260 6.355 0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.737 3.762 0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.251 4.005 0.866 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.303 5.310 1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.598 3.408 3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.743 2.910 1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.748 2.560 2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.869 5.288 3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.274 4.514 3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.796 6.163 2.733 1.00 0.00 H new ATOM 574 N GLU A 39 3.170 4.673 -1.562 1.00 0.00 N ATOM 575 CA GLU A 39 3.789 4.282 -2.823 1.00 0.00 C ATOM 576 C GLU A 39 4.144 2.798 -2.818 1.00 0.00 C ATOM 577 O GLU A 39 5.130 2.386 -2.207 1.00 0.00 O ATOM 578 CB GLU A 39 5.044 5.117 -3.081 1.00 0.00 C ATOM 579 CG GLU A 39 5.545 5.037 -4.514 1.00 0.00 C ATOM 580 CD GLU A 39 6.623 6.060 -4.813 1.00 0.00 C ATOM 581 OE1 GLU A 39 7.557 6.196 -3.995 1.00 0.00 O ATOM 582 OE2 GLU A 39 6.533 6.725 -5.866 1.00 0.00 O ATOM 0 H GLU A 39 3.655 4.335 -0.731 1.00 0.00 H new ATOM 0 HA GLU A 39 3.070 4.463 -3.622 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.834 6.158 -2.836 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.836 4.785 -2.409 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.936 4.037 -4.703 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.708 5.186 -5.196 1.00 0.00 H new ATOM 589 N VAL A 40 3.332 1.999 -3.504 1.00 0.00 N ATOM 590 CA VAL A 40 3.560 0.561 -3.580 1.00 0.00 C ATOM 591 C VAL A 40 4.733 0.238 -4.498 1.00 0.00 C ATOM 592 O VAL A 40 4.642 0.394 -5.716 1.00 0.00 O ATOM 593 CB VAL A 40 2.307 -0.180 -4.085 1.00 0.00 C ATOM 594 CG1 VAL A 40 2.549 -1.681 -4.112 1.00 0.00 C ATOM 595 CG2 VAL A 40 1.103 0.159 -3.219 1.00 0.00 C ATOM 0 H VAL A 40 2.511 2.323 -4.015 1.00 0.00 H new ATOM 0 HA VAL A 40 3.790 0.223 -2.570 1.00 0.00 H new ATOM 0 HB VAL A 40 2.097 0.148 -5.103 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.653 -2.188 -4.471 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.383 -1.903 -4.778 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.784 -2.030 -3.106 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.227 -0.373 -3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.300 -0.139 -2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.919 1.233 -3.257 1.00 0.00 H new ATOM 605 N ILE A 41 5.834 -0.213 -3.906 1.00 0.00 N ATOM 606 CA ILE A 41 7.025 -0.560 -4.671 1.00 0.00 C ATOM 607 C ILE A 41 7.093 -2.060 -4.933 1.00 0.00 C ATOM 608 O ILE A 41 7.546 -2.496 -5.991 1.00 0.00 O ATOM 609 CB ILE A 41 8.309 -0.118 -3.945 1.00 0.00 C ATOM 610 CG1 ILE A 41 8.307 -0.630 -2.503 1.00 0.00 C ATOM 611 CG2 ILE A 41 8.440 1.397 -3.975 1.00 0.00 C ATOM 612 CD1 ILE A 41 9.587 -0.330 -1.754 1.00 0.00 C ATOM 0 H ILE A 41 5.926 -0.347 -2.899 1.00 0.00 H new ATOM 0 HA ILE A 41 6.954 -0.031 -5.621 1.00 0.00 H new ATOM 0 HB ILE A 41 9.167 -0.547 -4.462 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.469 -0.183 -1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.143 -1.708 -2.509 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.352 1.694 -3.458 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.482 1.738 -5.009 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.580 1.846 -3.479 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.515 -0.721 -0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.427 -0.800 -2.266 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.743 0.748 -1.717 1.00 0.00 H new ATOM 624 N GLU A 42 6.637 -2.846 -3.963 1.00 0.00 N ATOM 625 CA GLU A 42 6.645 -4.299 -4.089 1.00 0.00 C ATOM 626 C GLU A 42 5.247 -4.872 -3.877 1.00 0.00 C ATOM 627 O GLU A 42 4.323 -4.155 -3.492 1.00 0.00 O ATOM 628 CB GLU A 42 7.619 -4.915 -3.083 1.00 0.00 C ATOM 629 CG GLU A 42 9.075 -4.813 -3.503 1.00 0.00 C ATOM 630 CD GLU A 42 9.372 -5.590 -4.771 1.00 0.00 C ATOM 631 OE1 GLU A 42 8.856 -6.718 -4.911 1.00 0.00 O ATOM 632 OE2 GLU A 42 10.121 -5.068 -5.624 1.00 0.00 O ATOM 0 H GLU A 42 6.257 -2.501 -3.081 1.00 0.00 H new ATOM 0 HA GLU A 42 6.971 -4.548 -5.099 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.493 -4.422 -2.119 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.364 -5.965 -2.940 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.333 -3.765 -3.655 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.709 -5.184 -2.697 1.00 0.00 H new ATOM 639 N ASP A 43 5.100 -6.167 -4.132 1.00 0.00 N ATOM 640 CA ASP A 43 3.815 -6.837 -3.968 1.00 0.00 C ATOM 641 C ASP A 43 3.734 -7.535 -2.614 1.00 0.00 C ATOM 642 O ASP A 43 3.154 -8.614 -2.494 1.00 0.00 O ATOM 643 CB ASP A 43 3.598 -7.851 -5.093 1.00 0.00 C ATOM 644 CG ASP A 43 4.896 -8.470 -5.573 1.00 0.00 C ATOM 645 OD1 ASP A 43 5.442 -9.336 -4.857 1.00 0.00 O ATOM 646 OD2 ASP A 43 5.366 -8.089 -6.665 1.00 0.00 O ATOM 0 H ASP A 43 5.854 -6.774 -4.453 1.00 0.00 H new ATOM 0 HA ASP A 43 3.031 -6.081 -4.014 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.930 -8.639 -4.744 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.102 -7.360 -5.930 1.00 0.00 H new ATOM 651 N GLY A 44 4.322 -6.913 -1.597 1.00 0.00 N ATOM 652 CA GLY A 44 4.306 -7.490 -0.265 1.00 0.00 C ATOM 653 C GLY A 44 4.724 -8.947 -0.260 1.00 0.00 C ATOM 654 O GLY A 44 5.153 -9.480 -1.283 1.00 0.00 O ATOM 0 H GLY A 44 4.809 -6.020 -1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.974 -6.921 0.382 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.304 -7.401 0.154 1.00 0.00 H new ATOM 658 N ASP A 45 4.599 -9.592 0.895 1.00 0.00 N ATOM 659 CA ASP A 45 4.967 -10.996 1.030 1.00 0.00 C ATOM 660 C ASP A 45 3.734 -11.891 0.949 1.00 0.00 C ATOM 661 O ASP A 45 3.797 -13.006 0.431 1.00 0.00 O ATOM 662 CB ASP A 45 5.696 -11.230 2.354 1.00 0.00 C ATOM 663 CG ASP A 45 6.179 -12.659 2.504 1.00 0.00 C ATOM 664 OD1 ASP A 45 5.401 -13.498 3.004 1.00 0.00 O ATOM 665 OD2 ASP A 45 7.336 -12.938 2.124 1.00 0.00 O ATOM 0 H ASP A 45 4.246 -9.164 1.751 1.00 0.00 H new ATOM 0 HA ASP A 45 5.634 -11.252 0.207 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.547 -10.553 2.421 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.029 -10.986 3.181 1.00 0.00 H new ATOM 670 N MET A 46 2.615 -11.396 1.466 1.00 0.00 N ATOM 671 CA MET A 46 1.367 -12.151 1.453 1.00 0.00 C ATOM 672 C MET A 46 0.545 -11.820 0.212 1.00 0.00 C ATOM 673 O MET A 46 0.738 -10.776 -0.411 1.00 0.00 O ATOM 674 CB MET A 46 0.552 -11.854 2.713 1.00 0.00 C ATOM 675 CG MET A 46 -0.318 -13.016 3.162 1.00 0.00 C ATOM 676 SD MET A 46 0.561 -14.169 4.233 1.00 0.00 S ATOM 677 CE MET A 46 0.699 -13.200 5.733 1.00 0.00 C ATOM 0 H MET A 46 2.546 -10.475 1.899 1.00 0.00 H new ATOM 0 HA MET A 46 1.614 -13.212 1.432 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.233 -11.587 3.521 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.081 -10.986 2.530 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.190 -12.629 3.689 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.686 -13.549 2.285 1.00 0.00 H new ATOM 0 HE1 MET A 46 0.868 -13.864 6.581 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.535 -12.507 5.643 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.222 -12.639 5.890 1.00 0.00 H new ATOM 687 N GLU A 47 -0.372 -12.715 -0.141 1.00 0.00 N ATOM 688 CA GLU A 47 -1.223 -12.517 -1.309 1.00 0.00 C ATOM 689 C GLU A 47 -2.044 -11.238 -1.173 1.00 0.00 C ATOM 690 O GLU A 47 -1.976 -10.350 -2.023 1.00 0.00 O ATOM 691 CB GLU A 47 -2.153 -13.716 -1.500 1.00 0.00 C ATOM 692 CG GLU A 47 -1.464 -14.932 -2.097 1.00 0.00 C ATOM 693 CD GLU A 47 -1.144 -14.756 -3.569 1.00 0.00 C ATOM 694 OE1 GLU A 47 -2.015 -15.072 -4.407 1.00 0.00 O ATOM 695 OE2 GLU A 47 -0.023 -14.304 -3.883 1.00 0.00 O ATOM 0 H GLU A 47 -0.545 -13.584 0.365 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.579 -12.424 -2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.583 -13.989 -0.536 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.981 -13.424 -2.147 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.542 -15.128 -1.549 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.103 -15.806 -1.970 1.00 0.00 H new ATOM 702 N ASP A 48 -2.821 -11.153 -0.099 1.00 0.00 N ATOM 703 CA ASP A 48 -3.656 -9.984 0.150 1.00 0.00 C ATOM 704 C ASP A 48 -2.884 -8.918 0.921 1.00 0.00 C ATOM 705 O ASP A 48 -3.399 -8.332 1.873 1.00 0.00 O ATOM 706 CB ASP A 48 -4.912 -10.383 0.927 1.00 0.00 C ATOM 707 CG ASP A 48 -5.443 -11.740 0.509 1.00 0.00 C ATOM 708 OD1 ASP A 48 -5.002 -12.754 1.090 1.00 0.00 O ATOM 709 OD2 ASP A 48 -6.300 -11.789 -0.398 1.00 0.00 O ATOM 0 H ASP A 48 -2.890 -11.880 0.613 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.951 -9.568 -0.813 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.687 -10.397 1.993 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.685 -9.630 0.774 1.00 0.00 H new ATOM 714 N TRP A 49 -1.647 -8.675 0.505 1.00 0.00 N ATOM 715 CA TRP A 49 -0.802 -7.680 1.157 1.00 0.00 C ATOM 716 C TRP A 49 0.247 -7.139 0.193 1.00 0.00 C ATOM 717 O TRP A 49 0.791 -7.879 -0.627 1.00 0.00 O ATOM 718 CB TRP A 49 -0.120 -8.287 2.384 1.00 0.00 C ATOM 719 CG TRP A 49 -1.086 -8.750 3.433 1.00 0.00 C ATOM 720 CD1 TRP A 49 -1.938 -9.814 3.349 1.00 0.00 C ATOM 721 CD2 TRP A 49 -1.298 -8.163 4.721 1.00 0.00 C ATOM 722 NE1 TRP A 49 -2.668 -9.923 4.509 1.00 0.00 N ATOM 723 CE2 TRP A 49 -2.294 -8.923 5.366 1.00 0.00 C ATOM 724 CE3 TRP A 49 -0.743 -7.071 5.394 1.00 0.00 C ATOM 725 CZ2 TRP A 49 -2.744 -8.623 6.649 1.00 0.00 C ATOM 726 CZ3 TRP A 49 -1.192 -6.775 6.667 1.00 0.00 C ATOM 727 CH2 TRP A 49 -2.184 -7.549 7.284 1.00 0.00 C ATOM 0 H TRP A 49 -1.206 -9.153 -0.281 1.00 0.00 H new ATOM 0 HA TRP A 49 -1.437 -6.852 1.474 1.00 0.00 H new ATOM 0 HB2 TRP A 49 0.495 -9.130 2.069 1.00 0.00 H new ATOM 0 HB3 TRP A 49 0.552 -7.548 2.820 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -2.025 -10.472 2.497 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -3.374 -10.634 4.700 1.00 0.00 H new ATOM 0 HE3 TRP A 49 0.023 -6.469 4.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -3.509 -9.218 7.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -0.771 -5.932 7.196 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -2.513 -7.292 8.280 1.00 0.00 H new ATOM 738 N VAL A 50 0.527 -5.843 0.295 1.00 0.00 N ATOM 739 CA VAL A 50 1.512 -5.203 -0.568 1.00 0.00 C ATOM 740 C VAL A 50 2.457 -4.319 0.238 1.00 0.00 C ATOM 741 O VAL A 50 2.147 -3.923 1.362 1.00 0.00 O ATOM 742 CB VAL A 50 0.835 -4.352 -1.658 1.00 0.00 C ATOM 743 CG1 VAL A 50 -0.040 -5.221 -2.548 1.00 0.00 C ATOM 744 CG2 VAL A 50 0.021 -3.231 -1.029 1.00 0.00 C ATOM 0 H VAL A 50 0.085 -5.216 0.967 1.00 0.00 H new ATOM 0 HA VAL A 50 2.082 -6.001 -1.043 1.00 0.00 H new ATOM 0 HB VAL A 50 1.611 -3.904 -2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.510 -4.602 -3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.573 -5.985 -3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.811 -5.700 -1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.451 -2.639 -1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.748 -3.657 -0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.677 -2.592 -0.438 1.00 0.00 H new ATOM 754 N LYS A 51 3.612 -4.013 -0.343 1.00 0.00 N ATOM 755 CA LYS A 51 4.603 -3.174 0.319 1.00 0.00 C ATOM 756 C LYS A 51 4.534 -1.740 -0.197 1.00 0.00 C ATOM 757 O LYS A 51 4.567 -1.502 -1.404 1.00 0.00 O ATOM 758 CB LYS A 51 6.009 -3.739 0.099 1.00 0.00 C ATOM 759 CG LYS A 51 6.989 -3.377 1.201 1.00 0.00 C ATOM 760 CD LYS A 51 8.349 -4.012 0.968 1.00 0.00 C ATOM 761 CE LYS A 51 9.054 -4.318 2.281 1.00 0.00 C ATOM 762 NZ LYS A 51 8.737 -5.687 2.775 1.00 0.00 N ATOM 0 H LYS A 51 3.885 -4.334 -1.272 1.00 0.00 H new ATOM 0 HA LYS A 51 4.383 -3.169 1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.947 -4.824 0.021 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.394 -3.373 -0.853 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.096 -2.294 1.252 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.594 -3.704 2.163 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.229 -4.932 0.395 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.967 -3.342 0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.131 -4.221 2.146 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.759 -3.584 3.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.759 -5.695 3.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.790 -5.964 2.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.441 -6.360 2.409 1.00 0.00 H new ATOM 776 N ALA A 52 4.440 -0.788 0.726 1.00 0.00 N ATOM 777 CA ALA A 52 4.370 0.622 0.364 1.00 0.00 C ATOM 778 C ALA A 52 5.184 1.478 1.329 1.00 0.00 C ATOM 779 O ALA A 52 5.238 1.198 2.527 1.00 0.00 O ATOM 780 CB ALA A 52 2.922 1.088 0.335 1.00 0.00 C ATOM 0 H ALA A 52 4.411 -0.968 1.730 1.00 0.00 H new ATOM 0 HA ALA A 52 4.798 0.738 -0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.885 2.143 0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.367 0.504 -0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.476 0.951 1.320 1.00 0.00 H new ATOM 786 N ARG A 53 5.816 2.520 0.800 1.00 0.00 N ATOM 787 CA ARG A 53 6.629 3.415 1.615 1.00 0.00 C ATOM 788 C ARG A 53 5.933 4.759 1.806 1.00 0.00 C ATOM 789 O ARG A 53 5.399 5.333 0.858 1.00 0.00 O ATOM 790 CB ARG A 53 7.999 3.626 0.967 1.00 0.00 C ATOM 791 CG ARG A 53 8.846 4.679 1.662 1.00 0.00 C ATOM 792 CD ARG A 53 9.837 5.320 0.703 1.00 0.00 C ATOM 793 NE ARG A 53 10.149 6.697 1.077 1.00 0.00 N ATOM 794 CZ ARG A 53 11.212 7.356 0.632 1.00 0.00 C ATOM 795 NH1 ARG A 53 12.062 6.767 -0.199 1.00 0.00 N ATOM 796 NH2 ARG A 53 11.428 8.607 1.018 1.00 0.00 N ATOM 0 H ARG A 53 5.781 2.766 -0.189 1.00 0.00 H new ATOM 0 HA ARG A 53 6.764 2.953 2.593 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.540 2.680 0.965 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.858 3.915 -0.075 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.199 5.447 2.085 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.385 4.224 2.493 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.755 4.733 0.684 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.427 5.303 -0.307 1.00 0.00 H new ATOM 0 HE ARG A 53 9.515 7.179 1.715 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.900 5.805 -0.498 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.878 7.276 -0.539 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.777 9.063 1.657 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.245 9.113 0.676 1.00 0.00 H new ATOM 810 N ASN A 54 5.942 5.254 3.039 1.00 0.00 N ATOM 811 CA ASN A 54 5.311 6.531 3.355 1.00 0.00 C ATOM 812 C ASN A 54 6.301 7.681 3.198 1.00 0.00 C ATOM 813 O ASN A 54 7.438 7.482 2.771 1.00 0.00 O ATOM 814 CB ASN A 54 4.757 6.510 4.781 1.00 0.00 C ATOM 815 CG ASN A 54 5.594 5.656 5.714 1.00 0.00 C ATOM 816 OD1 ASN A 54 6.745 5.337 5.416 1.00 0.00 O ATOM 817 ND2 ASN A 54 5.017 5.282 6.850 1.00 0.00 N ATOM 0 H ASN A 54 6.379 4.791 3.836 1.00 0.00 H new ATOM 0 HA ASN A 54 4.489 6.685 2.655 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.714 7.529 5.166 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.735 6.132 4.765 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.531 4.707 7.518 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.060 5.570 7.055 1.00 0.00 H new ATOM 824 N LYS A 55 5.860 8.885 3.548 1.00 0.00 N ATOM 825 CA LYS A 55 6.706 10.068 3.448 1.00 0.00 C ATOM 826 C LYS A 55 7.950 9.922 4.320 1.00 0.00 C ATOM 827 O LYS A 55 9.039 10.354 3.941 1.00 0.00 O ATOM 828 CB LYS A 55 5.924 11.316 3.863 1.00 0.00 C ATOM 829 CG LYS A 55 5.409 11.265 5.291 1.00 0.00 C ATOM 830 CD LYS A 55 4.120 12.053 5.448 1.00 0.00 C ATOM 831 CE LYS A 55 4.392 13.542 5.603 1.00 0.00 C ATOM 832 NZ LYS A 55 3.251 14.368 5.119 1.00 0.00 N ATOM 0 H LYS A 55 4.921 9.067 3.903 1.00 0.00 H new ATOM 0 HA LYS A 55 7.021 10.172 2.410 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.564 12.191 3.748 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.080 11.447 3.186 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.240 10.228 5.581 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.166 11.665 5.966 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.483 11.887 4.579 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.574 11.689 6.318 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.585 13.769 6.652 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.292 13.806 5.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.476 15.376 5.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.082 14.171 4.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.397 14.135 5.665 1.00 0.00 H new ATOM 846 N VAL A 56 7.781 9.310 5.487 1.00 0.00 N ATOM 847 CA VAL A 56 8.890 9.105 6.411 1.00 0.00 C ATOM 848 C VAL A 56 9.914 8.135 5.833 1.00 0.00 C ATOM 849 O VAL A 56 11.098 8.199 6.160 1.00 0.00 O ATOM 850 CB VAL A 56 8.398 8.567 7.768 1.00 0.00 C ATOM 851 CG1 VAL A 56 7.609 9.633 8.511 1.00 0.00 C ATOM 852 CG2 VAL A 56 7.561 7.312 7.571 1.00 0.00 C ATOM 0 H VAL A 56 6.886 8.947 5.816 1.00 0.00 H new ATOM 0 HA VAL A 56 9.360 10.077 6.563 1.00 0.00 H new ATOM 0 HB VAL A 56 9.267 8.306 8.372 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.270 9.234 9.467 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.245 10.501 8.685 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.746 9.929 7.915 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.222 6.945 8.540 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.697 7.545 6.948 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.164 6.546 7.084 1.00 0.00 H new ATOM 862 N GLY A 57 9.450 7.238 4.969 1.00 0.00 N ATOM 863 CA GLY A 57 10.339 6.267 4.358 1.00 0.00 C ATOM 864 C GLY A 57 10.113 4.863 4.883 1.00 0.00 C ATOM 865 O GLY A 57 10.665 3.900 4.352 1.00 0.00 O ATOM 0 H GLY A 57 8.474 7.166 4.681 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.194 6.275 3.278 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.373 6.559 4.543 1.00 0.00 H new ATOM 869 N GLN A 58 9.300 4.747 5.928 1.00 0.00 N ATOM 870 CA GLN A 58 9.005 3.450 6.525 1.00 0.00 C ATOM 871 C GLN A 58 8.386 2.506 5.500 1.00 0.00 C ATOM 872 O GLN A 58 7.415 2.854 4.828 1.00 0.00 O ATOM 873 CB GLN A 58 8.061 3.617 7.717 1.00 0.00 C ATOM 874 CG GLN A 58 8.781 3.842 9.037 1.00 0.00 C ATOM 875 CD GLN A 58 7.826 4.000 10.204 1.00 0.00 C ATOM 876 OE1 GLN A 58 6.941 4.985 10.115 1.00 0.00 O flip ATOM 877 NE2 GLN A 58 7.883 3.244 11.174 1.00 0.00 N flip ATOM 0 H GLN A 58 8.834 5.535 6.378 1.00 0.00 H new ATOM 0 HA GLN A 58 9.943 3.016 6.871 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.396 4.459 7.528 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.435 2.729 7.801 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.448 3.002 9.230 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.404 4.733 8.959 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.580 2.500 11.200 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.233 3.362 11.951 1.00 0.00 H new ATOM 886 N VAL A 59 8.955 1.310 5.384 1.00 0.00 N ATOM 887 CA VAL A 59 8.459 0.316 4.441 1.00 0.00 C ATOM 888 C VAL A 59 7.907 -0.905 5.169 1.00 0.00 C ATOM 889 O VAL A 59 8.601 -1.529 5.971 1.00 0.00 O ATOM 890 CB VAL A 59 9.564 -0.136 3.469 1.00 0.00 C ATOM 891 CG1 VAL A 59 8.993 -1.059 2.402 1.00 0.00 C ATOM 892 CG2 VAL A 59 10.241 1.070 2.835 1.00 0.00 C ATOM 0 H VAL A 59 9.760 1.007 5.932 1.00 0.00 H new ATOM 0 HA VAL A 59 7.658 0.790 3.874 1.00 0.00 H new ATOM 0 HB VAL A 59 10.314 -0.691 4.032 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.789 -1.368 1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.559 -1.939 2.877 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.222 -0.532 1.840 1.00 0.00 H new ATOM 0 HG21 VAL A 59 11.019 0.732 2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.503 1.654 2.285 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.686 1.689 3.614 1.00 0.00 H new ATOM 902 N GLY A 60 6.653 -1.242 4.884 1.00 0.00 N ATOM 903 CA GLY A 60 6.029 -2.387 5.519 1.00 0.00 C ATOM 904 C GLY A 60 4.934 -2.998 4.667 1.00 0.00 C ATOM 905 O GLY A 60 4.704 -2.567 3.537 1.00 0.00 O ATOM 0 H GLY A 60 6.058 -0.742 4.224 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.788 -3.142 5.726 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.611 -2.083 6.479 1.00 0.00 H new ATOM 909 N TYR A 61 4.258 -4.005 5.209 1.00 0.00 N ATOM 910 CA TYR A 61 3.183 -4.679 4.489 1.00 0.00 C ATOM 911 C TYR A 61 1.821 -4.137 4.912 1.00 0.00 C ATOM 912 O TYR A 61 1.558 -3.943 6.099 1.00 0.00 O ATOM 913 CB TYR A 61 3.244 -6.187 4.736 1.00 0.00 C ATOM 914 CG TYR A 61 4.550 -6.818 4.309 1.00 0.00 C ATOM 915 CD1 TYR A 61 5.037 -6.652 3.019 1.00 0.00 C ATOM 916 CD2 TYR A 61 5.299 -7.580 5.198 1.00 0.00 C ATOM 917 CE1 TYR A 61 6.229 -7.227 2.625 1.00 0.00 C ATOM 918 CE2 TYR A 61 6.494 -8.158 4.814 1.00 0.00 C ATOM 919 CZ TYR A 61 6.954 -7.979 3.526 1.00 0.00 C ATOM 920 OH TYR A 61 8.143 -8.553 3.138 1.00 0.00 O ATOM 0 H TYR A 61 4.435 -4.373 6.144 1.00 0.00 H new ATOM 0 HA TYR A 61 3.315 -4.486 3.424 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.087 -6.380 5.797 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.426 -6.668 4.200 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.473 -6.063 2.311 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.941 -7.723 6.207 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.592 -7.089 1.617 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.064 -8.746 5.518 1.00 0.00 H new ATOM 0 HH TYR A 61 8.528 -9.048 3.891 1.00 0.00 H new ATOM 930 N VAL A 62 0.957 -3.896 3.931 1.00 0.00 N ATOM 931 CA VAL A 62 -0.379 -3.379 4.199 1.00 0.00 C ATOM 932 C VAL A 62 -1.419 -4.059 3.316 1.00 0.00 C ATOM 933 O VAL A 62 -1.147 -4.445 2.179 1.00 0.00 O ATOM 934 CB VAL A 62 -0.448 -1.857 3.975 1.00 0.00 C ATOM 935 CG1 VAL A 62 0.583 -1.143 4.836 1.00 0.00 C ATOM 936 CG2 VAL A 62 -0.247 -1.525 2.504 1.00 0.00 C ATOM 0 H VAL A 62 1.159 -4.051 2.943 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.597 -3.595 5.245 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.438 -1.509 4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.519 -0.069 4.664 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.388 -1.355 5.887 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.581 -1.494 4.574 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.299 -0.445 2.364 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.729 -1.886 2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.027 -2.005 1.913 1.00 0.00 H new ATOM 946 N PRO A 63 -2.641 -4.210 3.849 1.00 0.00 N ATOM 947 CA PRO A 63 -3.748 -4.843 3.125 1.00 0.00 C ATOM 948 C PRO A 63 -4.251 -3.984 1.969 1.00 0.00 C ATOM 949 O PRO A 63 -4.535 -2.800 2.143 1.00 0.00 O ATOM 950 CB PRO A 63 -4.833 -4.989 4.195 1.00 0.00 C ATOM 951 CG PRO A 63 -4.532 -3.920 5.188 1.00 0.00 C ATOM 952 CD PRO A 63 -3.036 -3.774 5.199 1.00 0.00 C ATOM 0 HA PRO A 63 -3.450 -5.787 2.669 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.829 -4.865 3.769 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.805 -5.977 4.656 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.013 -2.982 4.910 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.905 -4.189 6.176 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.734 -2.745 5.393 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.578 -4.392 5.971 1.00 0.00 H new ATOM 960 N GLU A 64 -4.358 -4.590 0.791 1.00 0.00 N ATOM 961 CA GLU A 64 -4.827 -3.880 -0.393 1.00 0.00 C ATOM 962 C GLU A 64 -6.330 -3.629 -0.317 1.00 0.00 C ATOM 963 O GLU A 64 -6.832 -2.632 -0.836 1.00 0.00 O ATOM 964 CB GLU A 64 -4.494 -4.675 -1.657 1.00 0.00 C ATOM 965 CG GLU A 64 -4.758 -3.910 -2.943 1.00 0.00 C ATOM 966 CD GLU A 64 -6.179 -4.082 -3.443 1.00 0.00 C ATOM 967 OE1 GLU A 64 -6.454 -5.103 -4.108 1.00 0.00 O ATOM 968 OE2 GLU A 64 -7.015 -3.196 -3.171 1.00 0.00 O ATOM 0 H GLU A 64 -4.126 -5.570 0.631 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.317 -2.917 -0.434 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.444 -4.967 -1.627 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.080 -5.594 -1.664 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.561 -2.851 -2.778 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.063 -4.248 -3.712 1.00 0.00 H new ATOM 975 N LYS A 65 -7.044 -4.542 0.333 1.00 0.00 N ATOM 976 CA LYS A 65 -8.490 -4.422 0.479 1.00 0.00 C ATOM 977 C LYS A 65 -8.869 -3.050 1.027 1.00 0.00 C ATOM 978 O LYS A 65 -10.020 -2.625 0.923 1.00 0.00 O ATOM 979 CB LYS A 65 -9.023 -5.518 1.404 1.00 0.00 C ATOM 980 CG LYS A 65 -8.458 -5.453 2.813 1.00 0.00 C ATOM 981 CD LYS A 65 -9.448 -5.983 3.836 1.00 0.00 C ATOM 982 CE LYS A 65 -9.274 -7.478 4.057 1.00 0.00 C ATOM 983 NZ LYS A 65 -7.854 -7.837 4.330 1.00 0.00 N ATOM 0 H LYS A 65 -6.644 -5.374 0.767 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.941 -4.537 -0.507 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.109 -5.444 1.453 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.790 -6.491 0.972 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.536 -6.033 2.863 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.200 -4.422 3.055 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.314 -5.456 4.781 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.465 -5.780 3.499 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.896 -7.796 4.893 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.622 -8.018 3.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.820 -8.655 4.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.379 -8.078 3.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.371 -7.029 4.773 1.00 0.00 H new ATOM 997 N TYR A 66 -7.895 -2.361 1.611 1.00 0.00 N ATOM 998 CA TYR A 66 -8.127 -1.037 2.176 1.00 0.00 C ATOM 999 C TYR A 66 -7.428 0.038 1.351 1.00 0.00 C ATOM 1000 O TYR A 66 -7.677 1.232 1.526 1.00 0.00 O ATOM 1001 CB TYR A 66 -7.637 -0.985 3.624 1.00 0.00 C ATOM 1002 CG TYR A 66 -8.493 -1.781 4.583 1.00 0.00 C ATOM 1003 CD1 TYR A 66 -9.880 -1.707 4.532 1.00 0.00 C ATOM 1004 CD2 TYR A 66 -7.916 -2.606 5.540 1.00 0.00 C ATOM 1005 CE1 TYR A 66 -10.667 -2.432 5.406 1.00 0.00 C ATOM 1006 CE2 TYR A 66 -8.695 -3.336 6.417 1.00 0.00 C ATOM 1007 CZ TYR A 66 -10.069 -3.245 6.346 1.00 0.00 C ATOM 1008 OH TYR A 66 -10.849 -3.969 7.219 1.00 0.00 O ATOM 0 H TYR A 66 -6.937 -2.698 1.706 1.00 0.00 H new ATOM 0 HA TYR A 66 -9.200 -0.844 2.155 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.614 -1.360 3.666 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -7.609 0.054 3.952 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -10.351 -1.072 3.796 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.840 -2.678 5.600 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -11.743 -2.363 5.353 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.230 -3.974 7.154 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.273 -4.491 7.816 1.00 0.00 H new ATOM 1018 N LEU A 67 -6.551 -0.393 0.451 1.00 0.00 N ATOM 1019 CA LEU A 67 -5.814 0.532 -0.403 1.00 0.00 C ATOM 1020 C LEU A 67 -6.635 0.910 -1.632 1.00 0.00 C ATOM 1021 O LEU A 67 -7.405 0.100 -2.148 1.00 0.00 O ATOM 1022 CB LEU A 67 -4.485 -0.091 -0.835 1.00 0.00 C ATOM 1023 CG LEU A 67 -3.392 -0.147 0.232 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -2.126 -0.772 -0.333 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -3.105 1.245 0.776 1.00 0.00 C ATOM 0 H LEU A 67 -6.333 -1.377 0.294 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.615 1.437 0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.678 -1.106 -1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.104 0.470 -1.688 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.745 -0.770 1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.359 -0.803 0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.341 -1.785 -0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.770 -0.176 -1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.324 1.185 1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.773 1.892 -0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.012 1.656 1.220 1.00 0.00 H new ATOM 1037 N GLN A 68 -6.462 2.143 -2.096 1.00 0.00 N ATOM 1038 CA GLN A 68 -7.187 2.627 -3.265 1.00 0.00 C ATOM 1039 C GLN A 68 -6.245 2.811 -4.451 1.00 0.00 C ATOM 1040 O GLN A 68 -5.736 3.906 -4.689 1.00 0.00 O ATOM 1041 CB GLN A 68 -7.888 3.949 -2.946 1.00 0.00 C ATOM 1042 CG GLN A 68 -8.771 4.456 -4.075 1.00 0.00 C ATOM 1043 CD GLN A 68 -8.020 5.339 -5.052 1.00 0.00 C ATOM 1044 OE1 GLN A 68 -7.755 6.577 -4.649 1.00 0.00 O flip ATOM 1045 NE2 GLN A 68 -7.681 4.914 -6.156 1.00 0.00 N flip ATOM 0 H GLN A 68 -5.827 2.825 -1.681 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.937 1.882 -3.531 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.495 3.822 -2.050 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.136 4.704 -2.717 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.194 3.606 -4.610 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.607 5.015 -3.654 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.905 3.956 -6.425 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.176 5.520 -6.803 1.00 0.00 H new ATOM 1054 N PHE A 69 -6.018 1.732 -5.193 1.00 0.00 N ATOM 1055 CA PHE A 69 -5.136 1.774 -6.354 1.00 0.00 C ATOM 1056 C PHE A 69 -5.750 2.610 -7.473 1.00 0.00 C ATOM 1057 O PHE A 69 -6.965 2.790 -7.552 1.00 0.00 O ATOM 1058 CB PHE A 69 -4.854 0.357 -6.857 1.00 0.00 C ATOM 1059 CG PHE A 69 -3.820 -0.373 -6.046 1.00 0.00 C ATOM 1060 CD1 PHE A 69 -3.979 -0.532 -4.679 1.00 0.00 C ATOM 1061 CD2 PHE A 69 -2.690 -0.898 -6.652 1.00 0.00 C ATOM 1062 CE1 PHE A 69 -3.031 -1.203 -3.930 1.00 0.00 C ATOM 1063 CE2 PHE A 69 -1.739 -1.570 -5.908 1.00 0.00 C ATOM 1064 CZ PHE A 69 -1.908 -1.722 -4.546 1.00 0.00 C ATOM 0 H PHE A 69 -6.432 0.818 -5.011 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.198 2.238 -6.050 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.782 -0.215 -6.847 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.522 0.408 -7.894 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.854 -0.127 -4.193 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.551 -0.781 -7.717 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.168 -1.322 -2.865 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.863 -1.976 -6.392 1.00 0.00 H new ATOM 0 HZ PHE A 69 -1.164 -2.245 -3.963 1.00 0.00 H new ATOM 1074 N PRO A 70 -4.890 3.134 -8.358 1.00 0.00 N ATOM 1075 CA PRO A 70 -5.323 3.960 -9.489 1.00 0.00 C ATOM 1076 C PRO A 70 -6.070 3.152 -10.545 1.00 0.00 C ATOM 1077 O PRO A 70 -6.170 1.928 -10.450 1.00 0.00 O ATOM 1078 CB PRO A 70 -4.009 4.499 -10.059 1.00 0.00 C ATOM 1079 CG PRO A 70 -2.982 3.497 -9.657 1.00 0.00 C ATOM 1080 CD PRO A 70 -3.428 2.960 -8.325 1.00 0.00 C ATOM 0 HA PRO A 70 -6.021 4.739 -9.181 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.060 4.601 -11.143 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.778 5.486 -9.657 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.906 2.698 -10.395 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.996 3.956 -9.583 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.151 1.913 -8.201 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.977 3.509 -7.499 1.00 0.00 H new ATOM 1088 N THR A 71 -6.594 3.844 -11.552 1.00 0.00 N ATOM 1089 CA THR A 71 -7.333 3.191 -12.625 1.00 0.00 C ATOM 1090 C THR A 71 -6.391 2.691 -13.715 1.00 0.00 C ATOM 1091 O THR A 71 -6.751 1.822 -14.509 1.00 0.00 O ATOM 1092 CB THR A 71 -8.369 4.142 -13.253 1.00 0.00 C ATOM 1093 OG1 THR A 71 -7.736 5.363 -13.651 1.00 0.00 O ATOM 1094 CG2 THR A 71 -9.492 4.443 -12.272 1.00 0.00 C ATOM 0 H THR A 71 -6.520 4.857 -11.647 1.00 0.00 H new ATOM 0 HA THR A 71 -7.853 2.342 -12.181 1.00 0.00 H new ATOM 0 HB THR A 71 -8.795 3.652 -14.129 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.401 5.961 -14.051 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.211 5.116 -12.738 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.991 3.515 -11.994 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.079 4.914 -11.380 1.00 0.00 H new ATOM 1102 N SER A 72 -5.184 3.246 -13.748 1.00 0.00 N ATOM 1103 CA SER A 72 -4.191 2.858 -14.744 1.00 0.00 C ATOM 1104 C SER A 72 -2.859 3.553 -14.481 1.00 0.00 C ATOM 1105 O SER A 72 -2.820 4.675 -13.975 1.00 0.00 O ATOM 1106 CB SER A 72 -4.689 3.199 -16.150 1.00 0.00 C ATOM 1107 OG SER A 72 -4.154 2.305 -17.110 1.00 0.00 O ATOM 0 H SER A 72 -4.870 3.966 -13.097 1.00 0.00 H new ATOM 0 HA SER A 72 -4.040 1.781 -14.671 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.778 3.155 -16.174 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.405 4.221 -16.402 1.00 0.00 H new ATOM 0 HG SER A 72 -4.488 2.542 -18.000 1.00 0.00 H new ATOM 1113 N SER A 73 -1.768 2.878 -14.829 1.00 0.00 N ATOM 1114 CA SER A 73 -0.432 3.427 -14.628 1.00 0.00 C ATOM 1115 C SER A 73 0.100 4.046 -15.917 1.00 0.00 C ATOM 1116 O SER A 73 0.646 5.149 -15.910 1.00 0.00 O ATOM 1117 CB SER A 73 0.523 2.336 -14.141 1.00 0.00 C ATOM 1118 OG SER A 73 0.776 1.387 -15.163 1.00 0.00 O ATOM 0 H SER A 73 -1.783 1.950 -15.252 1.00 0.00 H new ATOM 0 HA SER A 73 -0.497 4.208 -13.870 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.461 2.787 -13.819 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.095 1.835 -13.273 1.00 0.00 H new ATOM 0 HG SER A 73 1.694 1.054 -15.080 1.00 0.00 H new ATOM 1124 N GLY A 74 -0.064 3.328 -17.023 1.00 0.00 N ATOM 1125 CA GLY A 74 0.405 3.822 -18.305 1.00 0.00 C ATOM 1126 C GLY A 74 -0.637 4.659 -19.020 1.00 0.00 C ATOM 1127 O GLY A 74 -1.550 5.211 -18.405 1.00 0.00 O ATOM 0 H GLY A 74 -0.513 2.413 -17.055 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.305 4.419 -18.154 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.684 2.978 -18.936 1.00 0.00 H new ATOM 1131 N PRO A 75 -0.506 4.763 -20.351 1.00 0.00 N ATOM 1132 CA PRO A 75 -1.434 5.539 -21.179 1.00 0.00 C ATOM 1133 C PRO A 75 -2.812 4.891 -21.267 1.00 0.00 C ATOM 1134 O PRO A 75 -2.933 3.667 -21.289 1.00 0.00 O ATOM 1135 CB PRO A 75 -0.760 5.549 -22.553 1.00 0.00 C ATOM 1136 CG PRO A 75 0.093 4.328 -22.566 1.00 0.00 C ATOM 1137 CD PRO A 75 0.558 4.132 -21.150 1.00 0.00 C ATOM 0 HA PRO A 75 -1.612 6.533 -20.769 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.497 5.525 -23.356 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -0.163 6.450 -22.695 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -0.470 3.462 -22.915 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.940 4.451 -23.241 1.00 0.00 H new ATOM 0 HD2 PRO A 75 0.670 3.075 -20.907 1.00 0.00 H new ATOM 0 HD3 PRO A 75 1.525 4.604 -20.976 1.00 0.00 H new ATOM 1145 N SER A 76 -3.849 5.722 -21.318 1.00 0.00 N ATOM 1146 CA SER A 76 -5.219 5.229 -21.400 1.00 0.00 C ATOM 1147 C SER A 76 -5.824 5.534 -22.767 1.00 0.00 C ATOM 1148 O SER A 76 -5.496 6.542 -23.393 1.00 0.00 O ATOM 1149 CB SER A 76 -6.076 5.857 -20.299 1.00 0.00 C ATOM 1150 OG SER A 76 -6.062 7.271 -20.386 1.00 0.00 O ATOM 0 H SER A 76 -3.766 6.739 -21.304 1.00 0.00 H new ATOM 0 HA SER A 76 -5.199 4.148 -21.263 1.00 0.00 H new ATOM 0 HB2 SER A 76 -7.101 5.495 -20.380 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.704 5.546 -19.323 1.00 0.00 H new ATOM 0 HG SER A 76 -6.618 7.648 -19.673 1.00 0.00 H new ATOM 1156 N SER A 77 -6.711 4.655 -23.224 1.00 0.00 N ATOM 1157 CA SER A 77 -7.360 4.826 -24.518 1.00 0.00 C ATOM 1158 C SER A 77 -7.933 6.233 -24.656 1.00 0.00 C ATOM 1159 O SER A 77 -8.432 6.810 -23.691 1.00 0.00 O ATOM 1160 CB SER A 77 -8.472 3.791 -24.696 1.00 0.00 C ATOM 1161 OG SER A 77 -9.181 4.006 -25.904 1.00 0.00 O ATOM 0 H SER A 77 -6.996 3.817 -22.717 1.00 0.00 H new ATOM 0 HA SER A 77 -6.610 4.680 -25.295 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.044 2.789 -24.696 1.00 0.00 H new ATOM 0 HB3 SER A 77 -9.160 3.844 -23.852 1.00 0.00 H new ATOM 0 HG SER A 77 -9.885 3.330 -25.995 1.00 0.00 H new ATOM 1167 N GLY A 78 -7.858 6.781 -25.866 1.00 0.00 N ATOM 1168 CA GLY A 78 -8.372 8.115 -26.110 1.00 0.00 C ATOM 1169 C GLY A 78 -7.637 8.824 -27.230 1.00 0.00 C ATOM 1170 O GLY A 78 -6.655 8.307 -27.762 1.00 0.00 O ATOM 0 H GLY A 78 -7.450 6.324 -26.681 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.432 8.053 -26.357 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.292 8.705 -25.197 1.00 0.00 H new TER 1174 GLY A 78