USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 917 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 89 LYS NZ :NH3+ -118:sc= -0.473 (180deg=-0.787) USER MOD Set 1.2: A 92 MET CE :methyl 172:sc= -0.627 (180deg=-0.802) USER MOD Set 2.1: A 15 SER OG : rot -160:sc= 0 USER MOD Set 2.2: A 85 LYS NZ :NH3+ -151:sc= -0.0107 (180deg=-1.18) USER MOD Set 3.1: A 39 GLN : amide:sc= 0.888 K(o=2.1,f=-3.7!) USER MOD Set 3.2: A 54 SER OG : rot 103:sc= 1.16 USER MOD Set 4.1: A 27 LYS NZ :NH3+ -129:sc= -1.01 (180deg=-1.54!) USER MOD Set 4.2: A 28 SER OG : rot 34:sc= 0.181 USER MOD Set 5.1: A 16 LYS NZ :NH3+ -161:sc= 1.61 (180deg=0.848) USER MOD Set 5.2: A 42 TYR OH : rot 180:sc= -0.012 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 33:sc= 0.195 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 44:sc= 0.754 USER MOD Single : A 8 LYS NZ :NH3+ -132:sc= -1.54! (180deg=-3.82!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot 180:sc= -0.269 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.92 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot -27:sc= -0.14 USER MOD Single : A 41 TYR OH : rot -15:sc= -0.62 USER MOD Single : A 43 SER OG : rot 99:sc= 0.823 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.534 X(o=-0.53,f=-0.53) USER MOD Single : A 50 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.23) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 24:sc= 0.0195 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 151:sc= -0.188 (180deg=-0.937) USER MOD Single : A 77 THR OG1 : rot -68:sc= -0.882 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.0297 K(o=-0.03,f=-1.3) USER MOD Single : A 98 GLN :FLIP amide:sc= -0.836 F(o=-1.6!,f=-0.84) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 161:sc= 1.56 (180deg=0.711) USER MOD Single : A 107 HIS : no HE2:sc= -0.0408 X(o=-0.041,f=-0.33) USER MOD Single : A 108 ASN : amide:sc= -1.18 K(o=-1.2,f=-2.6) USER MOD Single : A 109 SER OG : rot -82:sc= 1.29 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.164 0.488 16.849 1.00 0.00 N ATOM 2 CA GLY A 1 -18.345 1.161 17.840 1.00 0.00 C ATOM 3 C GLY A 1 -17.569 2.326 17.256 1.00 0.00 C ATOM 4 O GLY A 1 -18.129 3.156 16.540 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.674 -0.300 17.297 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.849 1.161 16.450 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.557 0.120 16.089 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.981 1.521 18.649 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.648 0.446 18.277 1.00 0.00 H new ATOM 8 N SER A 2 -16.278 2.388 17.564 1.00 0.00 N ATOM 9 CA SER A 2 -15.426 3.463 17.070 1.00 0.00 C ATOM 10 C SER A 2 -14.520 2.966 15.947 1.00 0.00 C ATOM 11 O SER A 2 -13.755 2.018 16.126 1.00 0.00 O ATOM 12 CB SER A 2 -14.579 4.036 18.208 1.00 0.00 C ATOM 13 OG SER A 2 -13.871 3.011 18.883 1.00 0.00 O ATOM 0 H SER A 2 -15.799 1.707 18.153 1.00 0.00 H new ATOM 0 HA SER A 2 -16.069 4.249 16.674 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.875 4.767 17.809 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.221 4.564 18.913 1.00 0.00 H new ATOM 0 HG SER A 2 -13.627 2.307 18.246 1.00 0.00 H new ATOM 19 N SER A 3 -14.612 3.612 14.790 1.00 0.00 N ATOM 20 CA SER A 3 -13.804 3.234 13.636 1.00 0.00 C ATOM 21 C SER A 3 -12.376 2.901 14.059 1.00 0.00 C ATOM 22 O SER A 3 -11.842 1.850 13.707 1.00 0.00 O ATOM 23 CB SER A 3 -13.792 4.363 12.603 1.00 0.00 C ATOM 24 OG SER A 3 -12.818 4.127 11.601 1.00 0.00 O ATOM 0 H SER A 3 -15.238 4.400 14.626 1.00 0.00 H new ATOM 0 HA SER A 3 -14.248 2.346 13.187 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.777 4.451 12.144 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.586 5.312 13.099 1.00 0.00 H new ATOM 0 HG SER A 3 -12.831 4.862 10.952 1.00 0.00 H new ATOM 30 N GLY A 4 -11.764 3.805 14.817 1.00 0.00 N ATOM 31 CA GLY A 4 -10.404 3.590 15.275 1.00 0.00 C ATOM 32 C GLY A 4 -9.652 4.889 15.491 1.00 0.00 C ATOM 33 O GLY A 4 -9.985 5.665 16.388 1.00 0.00 O ATOM 0 H GLY A 4 -12.185 4.682 15.122 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.423 3.026 16.207 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.870 2.982 14.545 1.00 0.00 H new ATOM 37 N SER A 5 -8.636 5.127 14.669 1.00 0.00 N ATOM 38 CA SER A 5 -7.831 6.338 14.778 1.00 0.00 C ATOM 39 C SER A 5 -8.586 7.543 14.224 1.00 0.00 C ATOM 40 O SER A 5 -9.395 7.414 13.305 1.00 0.00 O ATOM 41 CB SER A 5 -6.507 6.165 14.032 1.00 0.00 C ATOM 42 OG SER A 5 -5.570 5.446 14.816 1.00 0.00 O ATOM 0 H SER A 5 -8.350 4.497 13.919 1.00 0.00 H new ATOM 0 HA SER A 5 -7.624 6.514 15.834 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.681 5.638 13.094 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.099 7.143 13.778 1.00 0.00 H new ATOM 0 HG SER A 5 -4.733 5.347 14.316 1.00 0.00 H new ATOM 48 N SER A 6 -8.315 8.715 14.790 1.00 0.00 N ATOM 49 CA SER A 6 -8.971 9.943 14.357 1.00 0.00 C ATOM 50 C SER A 6 -8.412 10.413 13.017 1.00 0.00 C ATOM 51 O SER A 6 -7.452 11.180 12.967 1.00 0.00 O ATOM 52 CB SER A 6 -8.793 11.039 15.409 1.00 0.00 C ATOM 53 OG SER A 6 -7.421 11.296 15.652 1.00 0.00 O ATOM 0 H SER A 6 -7.646 8.840 15.549 1.00 0.00 H new ATOM 0 HA SER A 6 -10.034 9.735 14.235 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.283 11.953 15.073 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.280 10.739 16.337 1.00 0.00 H new ATOM 0 HG SER A 6 -6.939 11.330 14.800 1.00 0.00 H new ATOM 59 N GLY A 7 -9.023 9.946 11.932 1.00 0.00 N ATOM 60 CA GLY A 7 -8.574 10.328 10.606 1.00 0.00 C ATOM 61 C GLY A 7 -8.349 9.132 9.703 1.00 0.00 C ATOM 62 O GLY A 7 -7.936 8.066 10.162 1.00 0.00 O ATOM 0 H GLY A 7 -9.820 9.310 11.948 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.313 10.988 10.152 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.647 10.896 10.689 1.00 0.00 H new ATOM 66 N LYS A 8 -8.622 9.306 8.414 1.00 0.00 N ATOM 67 CA LYS A 8 -8.447 8.232 7.443 1.00 0.00 C ATOM 68 C LYS A 8 -7.018 8.206 6.912 1.00 0.00 C ATOM 69 O LYS A 8 -6.795 8.109 5.705 1.00 0.00 O ATOM 70 CB LYS A 8 -9.431 8.402 6.283 1.00 0.00 C ATOM 71 CG LYS A 8 -9.699 7.116 5.520 1.00 0.00 C ATOM 72 CD LYS A 8 -10.879 6.357 6.104 1.00 0.00 C ATOM 73 CE LYS A 8 -10.483 5.587 7.354 1.00 0.00 C ATOM 74 NZ LYS A 8 -10.665 6.400 8.588 1.00 0.00 N ATOM 0 H LYS A 8 -8.965 10.181 8.018 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.646 7.285 7.945 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.374 8.788 6.671 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -9.040 9.150 5.593 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.896 7.347 4.473 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.811 6.485 5.545 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -11.680 7.056 6.345 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -11.273 5.666 5.359 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.082 4.679 7.426 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.441 5.276 7.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.809 6.336 9.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.833 7.393 8.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.480 6.040 9.124 1.00 0.00 H new ATOM 88 N LYS A 9 -6.052 8.292 7.820 1.00 0.00 N ATOM 89 CA LYS A 9 -4.643 8.276 7.444 1.00 0.00 C ATOM 90 C LYS A 9 -4.079 6.860 7.510 1.00 0.00 C ATOM 91 O LYS A 9 -4.243 6.161 8.511 1.00 0.00 O ATOM 92 CB LYS A 9 -3.839 9.200 8.361 1.00 0.00 C ATOM 93 CG LYS A 9 -3.811 10.645 7.896 1.00 0.00 C ATOM 94 CD LYS A 9 -3.164 11.552 8.930 1.00 0.00 C ATOM 95 CE LYS A 9 -4.103 11.830 10.093 1.00 0.00 C ATOM 96 NZ LYS A 9 -3.376 12.362 11.278 1.00 0.00 N ATOM 0 H LYS A 9 -6.219 8.374 8.823 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.562 8.633 6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.261 9.158 9.365 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.816 8.829 8.430 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.264 10.715 6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.828 10.984 7.699 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.250 11.088 9.302 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.876 12.493 8.461 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.864 12.546 9.782 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.622 10.912 10.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.051 12.539 12.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.667 11.668 11.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.901 13.251 11.023 1.00 0.00 H new ATOM 110 N LEU A 10 -3.414 6.443 6.438 1.00 0.00 N ATOM 111 CA LEU A 10 -2.824 5.111 6.374 1.00 0.00 C ATOM 112 C LEU A 10 -1.363 5.182 5.940 1.00 0.00 C ATOM 113 O LEU A 10 -1.064 5.362 4.759 1.00 0.00 O ATOM 114 CB LEU A 10 -3.613 4.228 5.406 1.00 0.00 C ATOM 115 CG LEU A 10 -3.027 2.842 5.132 1.00 0.00 C ATOM 116 CD1 LEU A 10 -3.238 1.927 6.328 1.00 0.00 C ATOM 117 CD2 LEU A 10 -3.648 2.239 3.880 1.00 0.00 C ATOM 0 H LEU A 10 -3.270 7.008 5.601 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.866 4.674 7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.622 4.103 5.800 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.705 4.756 4.457 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.955 2.948 4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.815 0.946 6.114 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.746 2.352 7.203 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.305 1.827 6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.220 1.253 3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.726 2.147 4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.444 2.885 3.026 1.00 0.00 H new ATOM 129 N CYS A 11 -0.458 5.039 6.902 1.00 0.00 N ATOM 130 CA CYS A 11 0.972 5.086 6.619 1.00 0.00 C ATOM 131 C CYS A 11 1.732 4.092 7.491 1.00 0.00 C ATOM 132 O CYS A 11 1.269 3.714 8.567 1.00 0.00 O ATOM 133 CB CYS A 11 1.512 6.499 6.847 1.00 0.00 C ATOM 134 SG CYS A 11 1.489 7.028 8.575 1.00 0.00 S ATOM 0 H CYS A 11 -0.689 4.890 7.884 1.00 0.00 H new ATOM 0 HA CYS A 11 1.119 4.812 5.574 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.536 6.549 6.476 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.924 7.201 6.255 1.00 0.00 H new ATOM 0 HG CYS A 11 1.966 8.234 8.666 1.00 0.00 H new ATOM 140 N GLY A 12 2.900 3.670 7.018 1.00 0.00 N ATOM 141 CA GLY A 12 3.705 2.721 7.766 1.00 0.00 C ATOM 142 C GLY A 12 4.926 2.262 6.995 1.00 0.00 C ATOM 143 O GLY A 12 4.914 2.224 5.765 1.00 0.00 O ATOM 0 H GLY A 12 3.304 3.968 6.130 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.022 3.178 8.704 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.095 1.855 8.023 1.00 0.00 H new ATOM 147 N TYR A 13 5.984 1.912 7.719 1.00 0.00 N ATOM 148 CA TYR A 13 7.220 1.457 7.095 1.00 0.00 C ATOM 149 C TYR A 13 7.125 -0.015 6.707 1.00 0.00 C ATOM 150 O TYR A 13 6.553 -0.826 7.437 1.00 0.00 O ATOM 151 CB TYR A 13 8.403 1.671 8.042 1.00 0.00 C ATOM 152 CG TYR A 13 8.827 3.117 8.165 1.00 0.00 C ATOM 153 CD1 TYR A 13 8.156 3.988 9.014 1.00 0.00 C ATOM 154 CD2 TYR A 13 9.897 3.612 7.430 1.00 0.00 C ATOM 155 CE1 TYR A 13 8.539 5.310 9.129 1.00 0.00 C ATOM 156 CE2 TYR A 13 10.288 4.933 7.540 1.00 0.00 C ATOM 157 CZ TYR A 13 9.606 5.778 8.390 1.00 0.00 C ATOM 158 OH TYR A 13 9.991 7.094 8.501 1.00 0.00 O ATOM 0 H TYR A 13 6.010 1.935 8.738 1.00 0.00 H new ATOM 0 HA TYR A 13 7.377 2.043 6.190 1.00 0.00 H new ATOM 0 HB2 TYR A 13 8.140 1.293 9.030 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.250 1.082 7.691 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.320 3.625 9.594 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.432 2.954 6.762 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.006 5.974 9.794 1.00 0.00 H new ATOM 0 HE2 TYR A 13 11.123 5.302 6.963 1.00 0.00 H new ATOM 0 HH TYR A 13 10.758 7.261 7.915 1.00 0.00 H new ATOM 168 N LEU A 14 7.689 -0.354 5.553 1.00 0.00 N ATOM 169 CA LEU A 14 7.669 -1.729 5.066 1.00 0.00 C ATOM 170 C LEU A 14 9.020 -2.115 4.472 1.00 0.00 C ATOM 171 O LEU A 14 9.894 -1.268 4.289 1.00 0.00 O ATOM 172 CB LEU A 14 6.569 -1.904 4.018 1.00 0.00 C ATOM 173 CG LEU A 14 5.134 -1.723 4.515 1.00 0.00 C ATOM 174 CD1 LEU A 14 4.147 -1.907 3.373 1.00 0.00 C ATOM 175 CD2 LEU A 14 4.834 -2.698 5.644 1.00 0.00 C ATOM 0 H LEU A 14 8.166 0.304 4.937 1.00 0.00 H new ATOM 0 HA LEU A 14 7.463 -2.385 5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.746 -1.192 3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.660 -2.901 3.588 1.00 0.00 H new ATOM 0 HG LEU A 14 5.028 -0.709 4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.131 -1.775 3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.348 -1.169 2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.254 -2.909 2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.809 -2.555 5.985 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.958 -3.720 5.285 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.520 -2.519 6.472 1.00 0.00 H new ATOM 187 N SER A 15 9.182 -3.400 4.170 1.00 0.00 N ATOM 188 CA SER A 15 10.426 -3.899 3.597 1.00 0.00 C ATOM 189 C SER A 15 10.199 -4.431 2.185 1.00 0.00 C ATOM 190 O SER A 15 9.466 -5.399 1.984 1.00 0.00 O ATOM 191 CB SER A 15 11.014 -5.000 4.481 1.00 0.00 C ATOM 192 OG SER A 15 11.890 -4.460 5.454 1.00 0.00 O ATOM 0 H SER A 15 8.467 -4.114 4.313 1.00 0.00 H new ATOM 0 HA SER A 15 11.131 -3.070 3.545 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.208 -5.543 4.974 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.551 -5.719 3.863 1.00 0.00 H new ATOM 0 HG SER A 15 12.484 -5.165 5.787 1.00 0.00 H new ATOM 198 N LYS A 16 10.835 -3.792 1.209 1.00 0.00 N ATOM 199 CA LYS A 16 10.705 -4.199 -0.185 1.00 0.00 C ATOM 200 C LYS A 16 11.693 -5.312 -0.521 1.00 0.00 C ATOM 201 O LYS A 16 12.893 -5.184 -0.276 1.00 0.00 O ATOM 202 CB LYS A 16 10.934 -3.003 -1.111 1.00 0.00 C ATOM 203 CG LYS A 16 10.159 -3.086 -2.415 1.00 0.00 C ATOM 204 CD LYS A 16 10.360 -1.842 -3.264 1.00 0.00 C ATOM 205 CE LYS A 16 9.235 -1.666 -4.271 1.00 0.00 C ATOM 206 NZ LYS A 16 8.119 -0.848 -3.720 1.00 0.00 N ATOM 0 H LYS A 16 11.446 -2.989 1.358 1.00 0.00 H new ATOM 0 HA LYS A 16 9.694 -4.577 -0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.651 -2.090 -0.588 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.998 -2.926 -1.335 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.480 -3.965 -2.974 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.098 -3.214 -2.201 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.413 -0.965 -2.619 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.313 -1.909 -3.789 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.624 -1.190 -5.171 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.856 -2.644 -4.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.259 -1.011 -4.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.944 -1.120 -2.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.373 0.160 -3.762 1.00 0.00 H new ATOM 220 N PHE A 17 11.181 -6.401 -1.083 1.00 0.00 N ATOM 221 CA PHE A 17 12.019 -7.536 -1.453 1.00 0.00 C ATOM 222 C PHE A 17 12.486 -7.418 -2.901 1.00 0.00 C ATOM 223 O PHE A 17 11.831 -6.784 -3.727 1.00 0.00 O ATOM 224 CB PHE A 17 11.255 -8.847 -1.257 1.00 0.00 C ATOM 225 CG PHE A 17 12.049 -10.066 -1.633 1.00 0.00 C ATOM 226 CD1 PHE A 17 13.294 -10.298 -1.071 1.00 0.00 C ATOM 227 CD2 PHE A 17 11.549 -10.979 -2.547 1.00 0.00 C ATOM 228 CE1 PHE A 17 14.027 -11.418 -1.416 1.00 0.00 C ATOM 229 CE2 PHE A 17 12.277 -12.102 -2.895 1.00 0.00 C ATOM 230 CZ PHE A 17 13.517 -12.321 -2.328 1.00 0.00 C ATOM 0 H PHE A 17 10.190 -6.522 -1.292 1.00 0.00 H new ATOM 0 HA PHE A 17 12.896 -7.534 -0.805 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.951 -8.929 -0.213 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.343 -8.819 -1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 17 13.696 -9.596 -0.356 1.00 0.00 H new ATOM 0 HD2 PHE A 17 10.580 -10.812 -2.993 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.997 -11.587 -0.973 1.00 0.00 H new ATOM 0 HE2 PHE A 17 11.877 -12.807 -3.609 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.087 -13.198 -2.598 1.00 0.00 H new ATOM 240 N GLY A 18 13.626 -8.034 -3.201 1.00 0.00 N ATOM 241 CA GLY A 18 14.162 -7.986 -4.549 1.00 0.00 C ATOM 242 C GLY A 18 14.352 -6.567 -5.047 1.00 0.00 C ATOM 243 O GLY A 18 14.382 -5.623 -4.258 1.00 0.00 O ATOM 0 H GLY A 18 14.187 -8.565 -2.535 1.00 0.00 H new ATOM 0 HA2 GLY A 18 15.118 -8.508 -4.575 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.490 -8.517 -5.223 1.00 0.00 H new ATOM 247 N GLY A 19 14.484 -6.415 -6.361 1.00 0.00 N ATOM 248 CA GLY A 19 14.673 -5.098 -6.941 1.00 0.00 C ATOM 249 C GLY A 19 15.981 -4.979 -7.696 1.00 0.00 C ATOM 250 O GLY A 19 16.391 -5.907 -8.394 1.00 0.00 O ATOM 0 H GLY A 19 14.463 -7.181 -7.035 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.846 -4.880 -7.617 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.644 -4.349 -6.150 1.00 0.00 H new ATOM 254 N LYS A 20 16.640 -3.833 -7.559 1.00 0.00 N ATOM 255 CA LYS A 20 17.910 -3.595 -8.235 1.00 0.00 C ATOM 256 C LYS A 20 19.047 -4.328 -7.530 1.00 0.00 C ATOM 257 O LYS A 20 19.274 -4.139 -6.335 1.00 0.00 O ATOM 258 CB LYS A 20 18.210 -2.095 -8.285 1.00 0.00 C ATOM 259 CG LYS A 20 19.032 -1.680 -9.494 1.00 0.00 C ATOM 260 CD LYS A 20 20.515 -1.917 -9.267 1.00 0.00 C ATOM 261 CE LYS A 20 21.140 -0.797 -8.450 1.00 0.00 C ATOM 262 NZ LYS A 20 22.593 -1.025 -8.217 1.00 0.00 N ATOM 0 H LYS A 20 16.315 -3.054 -6.986 1.00 0.00 H new ATOM 0 HA LYS A 20 17.830 -3.978 -9.252 1.00 0.00 H new ATOM 0 HB2 LYS A 20 17.269 -1.545 -8.289 1.00 0.00 H new ATOM 0 HB3 LYS A 20 18.743 -1.809 -7.378 1.00 0.00 H new ATOM 0 HG2 LYS A 20 18.703 -2.241 -10.369 1.00 0.00 H new ATOM 0 HG3 LYS A 20 18.860 -0.625 -9.708 1.00 0.00 H new ATOM 0 HD2 LYS A 20 20.658 -2.867 -8.753 1.00 0.00 H new ATOM 0 HD3 LYS A 20 21.023 -1.995 -10.228 1.00 0.00 H new ATOM 0 HE2 LYS A 20 21.000 0.152 -8.968 1.00 0.00 H new ATOM 0 HE3 LYS A 20 20.627 -0.716 -7.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 22.982 -0.240 -7.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 22.726 -1.918 -7.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 23.087 -1.076 -9.131 1.00 0.00 H new ATOM 276 N GLY A 21 19.760 -5.164 -8.278 1.00 0.00 N ATOM 277 CA GLY A 21 20.866 -5.911 -7.708 1.00 0.00 C ATOM 278 C GLY A 21 20.878 -7.360 -8.154 1.00 0.00 C ATOM 279 O GLY A 21 19.836 -7.957 -8.425 1.00 0.00 O ATOM 0 H GLY A 21 19.591 -5.337 -9.269 1.00 0.00 H new ATOM 0 HA2 GLY A 21 21.806 -5.438 -7.994 1.00 0.00 H new ATOM 0 HA3 GLY A 21 20.806 -5.869 -6.620 1.00 0.00 H new ATOM 283 N PRO A 22 22.081 -7.947 -8.238 1.00 0.00 N ATOM 284 CA PRO A 22 22.253 -9.342 -8.655 1.00 0.00 C ATOM 285 C PRO A 22 21.735 -10.327 -7.613 1.00 0.00 C ATOM 286 O PRO A 22 21.677 -11.532 -7.860 1.00 0.00 O ATOM 287 CB PRO A 22 23.769 -9.479 -8.815 1.00 0.00 C ATOM 288 CG PRO A 22 24.341 -8.439 -7.914 1.00 0.00 C ATOM 289 CD PRO A 22 23.365 -7.295 -7.931 1.00 0.00 C ATOM 0 HA PRO A 22 21.693 -9.569 -9.562 1.00 0.00 H new ATOM 0 HB2 PRO A 22 24.108 -10.476 -8.534 1.00 0.00 H new ATOM 0 HB3 PRO A 22 24.074 -9.318 -9.849 1.00 0.00 H new ATOM 0 HG2 PRO A 22 24.471 -8.826 -6.903 1.00 0.00 H new ATOM 0 HG3 PRO A 22 25.323 -8.119 -8.261 1.00 0.00 H new ATOM 0 HD2 PRO A 22 23.334 -6.779 -6.972 1.00 0.00 H new ATOM 0 HD3 PRO A 22 23.629 -6.553 -8.684 1.00 0.00 H new ATOM 297 N ILE A 23 21.360 -9.807 -6.449 1.00 0.00 N ATOM 298 CA ILE A 23 20.846 -10.642 -5.371 1.00 0.00 C ATOM 299 C ILE A 23 19.501 -10.127 -4.871 1.00 0.00 C ATOM 300 O ILE A 23 19.115 -8.993 -5.153 1.00 0.00 O ATOM 301 CB ILE A 23 21.831 -10.704 -4.188 1.00 0.00 C ATOM 302 CG1 ILE A 23 21.913 -9.344 -3.493 1.00 0.00 C ATOM 303 CG2 ILE A 23 23.206 -11.145 -4.667 1.00 0.00 C ATOM 304 CD1 ILE A 23 22.769 -8.339 -4.233 1.00 0.00 C ATOM 0 H ILE A 23 21.403 -8.812 -6.229 1.00 0.00 H new ATOM 0 HA ILE A 23 20.720 -11.644 -5.781 1.00 0.00 H new ATOM 0 HB ILE A 23 21.467 -11.437 -3.468 1.00 0.00 H new ATOM 0 HG12 ILE A 23 20.907 -8.940 -3.382 1.00 0.00 H new ATOM 0 HG13 ILE A 23 22.314 -9.482 -2.489 1.00 0.00 H new ATOM 0 HG21 ILE A 23 23.891 -11.184 -3.820 1.00 0.00 H new ATOM 0 HG22 ILE A 23 23.133 -12.133 -5.121 1.00 0.00 H new ATOM 0 HG23 ILE A 23 23.580 -10.434 -5.404 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.782 -7.398 -3.683 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.786 -8.722 -4.321 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.356 -8.172 -5.228 1.00 0.00 H new ATOM 316 N ARG A 24 18.791 -10.969 -4.126 1.00 0.00 N ATOM 317 CA ARG A 24 17.489 -10.598 -3.585 1.00 0.00 C ATOM 318 C ARG A 24 17.564 -10.398 -2.075 1.00 0.00 C ATOM 319 O ARG A 24 17.873 -11.327 -1.329 1.00 0.00 O ATOM 320 CB ARG A 24 16.451 -11.673 -3.917 1.00 0.00 C ATOM 321 CG ARG A 24 15.840 -11.523 -5.300 1.00 0.00 C ATOM 322 CD ARG A 24 14.419 -12.063 -5.343 1.00 0.00 C ATOM 323 NE ARG A 24 13.784 -11.830 -6.638 1.00 0.00 N ATOM 324 CZ ARG A 24 14.093 -12.503 -7.740 1.00 0.00 C ATOM 325 NH1 ARG A 24 15.024 -13.447 -7.705 1.00 0.00 N ATOM 326 NH2 ARG A 24 13.471 -12.234 -8.880 1.00 0.00 N ATOM 0 H ARG A 24 19.096 -11.912 -3.884 1.00 0.00 H new ATOM 0 HA ARG A 24 17.188 -9.656 -4.044 1.00 0.00 H new ATOM 0 HB2 ARG A 24 16.919 -12.654 -3.841 1.00 0.00 H new ATOM 0 HB3 ARG A 24 15.656 -11.640 -3.172 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.840 -10.471 -5.587 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.454 -12.052 -6.029 1.00 0.00 H new ATOM 0 HD2 ARG A 24 14.431 -13.132 -5.132 1.00 0.00 H new ATOM 0 HD3 ARG A 24 13.828 -11.590 -4.559 1.00 0.00 H new ATOM 0 HE ARG A 24 13.063 -11.111 -6.699 1.00 0.00 H new ATOM 0 HH11 ARG A 24 15.504 -13.657 -6.830 1.00 0.00 H new ATOM 0 HH12 ARG A 24 15.260 -13.963 -8.553 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.754 -11.509 -8.911 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.710 -12.752 -9.726 1.00 0.00 H new ATOM 340 N GLY A 25 17.278 -9.178 -1.630 1.00 0.00 N ATOM 341 CA GLY A 25 17.320 -8.877 -0.210 1.00 0.00 C ATOM 342 C GLY A 25 16.369 -7.761 0.174 1.00 0.00 C ATOM 343 O GLY A 25 16.199 -6.797 -0.573 1.00 0.00 O ATOM 0 H GLY A 25 17.018 -8.393 -2.227 1.00 0.00 H new ATOM 0 HA2 GLY A 25 17.070 -9.774 0.356 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.336 -8.597 0.069 1.00 0.00 H new ATOM 347 N TRP A 26 15.748 -7.891 1.340 1.00 0.00 N ATOM 348 CA TRP A 26 14.808 -6.885 1.822 1.00 0.00 C ATOM 349 C TRP A 26 15.511 -5.554 2.064 1.00 0.00 C ATOM 350 O TRP A 26 16.709 -5.515 2.345 1.00 0.00 O ATOM 351 CB TRP A 26 14.134 -7.361 3.109 1.00 0.00 C ATOM 352 CG TRP A 26 13.340 -8.620 2.933 1.00 0.00 C ATOM 353 CD1 TRP A 26 13.772 -9.899 3.141 1.00 0.00 C ATOM 354 CD2 TRP A 26 11.975 -8.720 2.510 1.00 0.00 C ATOM 355 NE1 TRP A 26 12.759 -10.787 2.873 1.00 0.00 N ATOM 356 CE2 TRP A 26 11.646 -10.090 2.486 1.00 0.00 C ATOM 357 CE3 TRP A 26 10.999 -7.787 2.153 1.00 0.00 C ATOM 358 CZ2 TRP A 26 10.383 -10.545 2.116 1.00 0.00 C ATOM 359 CZ3 TRP A 26 9.746 -8.240 1.786 1.00 0.00 C ATOM 360 CH2 TRP A 26 9.447 -9.609 1.771 1.00 0.00 C ATOM 0 H TRP A 26 15.878 -8.683 1.970 1.00 0.00 H new ATOM 0 HA TRP A 26 14.047 -6.739 1.055 1.00 0.00 H new ATOM 0 HB2 TRP A 26 14.896 -7.524 3.871 1.00 0.00 H new ATOM 0 HB3 TRP A 26 13.477 -6.574 3.479 1.00 0.00 H new ATOM 0 HD1 TRP A 26 14.764 -10.172 3.468 1.00 0.00 H new ATOM 0 HE1 TRP A 26 12.825 -11.802 2.950 1.00 0.00 H new ATOM 0 HE3 TRP A 26 11.220 -6.730 2.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 10.151 -11.600 2.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.985 -7.527 1.506 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.458 -9.932 1.481 1.00 0.00 H new ATOM 371 N LYS A 27 14.760 -4.464 1.954 1.00 0.00 N ATOM 372 CA LYS A 27 15.310 -3.130 2.163 1.00 0.00 C ATOM 373 C LYS A 27 14.313 -2.238 2.895 1.00 0.00 C ATOM 374 O LYS A 27 13.137 -2.181 2.536 1.00 0.00 O ATOM 375 CB LYS A 27 15.689 -2.496 0.822 1.00 0.00 C ATOM 376 CG LYS A 27 16.506 -1.223 0.960 1.00 0.00 C ATOM 377 CD LYS A 27 17.997 -1.516 0.966 1.00 0.00 C ATOM 378 CE LYS A 27 18.515 -1.742 2.378 1.00 0.00 C ATOM 379 NZ LYS A 27 18.116 -0.641 3.298 1.00 0.00 N ATOM 0 H LYS A 27 13.767 -4.478 1.721 1.00 0.00 H new ATOM 0 HA LYS A 27 16.204 -3.226 2.779 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.255 -3.219 0.235 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.779 -2.275 0.264 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.270 -0.547 0.138 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.231 -0.711 1.882 1.00 0.00 H new ATOM 0 HD2 LYS A 27 18.198 -2.398 0.358 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.534 -0.685 0.509 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.132 -2.689 2.758 1.00 0.00 H new ATOM 0 HE3 LYS A 27 19.602 -1.822 2.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.955 -0.289 3.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.692 0.134 2.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.422 -0.998 3.986 1.00 0.00 H new ATOM 393 N SER A 28 14.790 -1.543 3.922 1.00 0.00 N ATOM 394 CA SER A 28 13.939 -0.655 4.706 1.00 0.00 C ATOM 395 C SER A 28 13.472 0.531 3.867 1.00 0.00 C ATOM 396 O SER A 28 14.284 1.301 3.355 1.00 0.00 O ATOM 397 CB SER A 28 14.689 -0.155 5.942 1.00 0.00 C ATOM 398 OG SER A 28 15.943 0.403 5.588 1.00 0.00 O ATOM 0 H SER A 28 15.761 -1.577 4.231 1.00 0.00 H new ATOM 0 HA SER A 28 13.063 -1.220 5.025 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.087 0.593 6.458 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.838 -0.980 6.639 1.00 0.00 H new ATOM 0 HG SER A 28 15.873 0.835 4.711 1.00 0.00 H new ATOM 404 N ARG A 29 12.158 0.669 3.731 1.00 0.00 N ATOM 405 CA ARG A 29 11.581 1.760 2.953 1.00 0.00 C ATOM 406 C ARG A 29 10.364 2.348 3.661 1.00 0.00 C ATOM 407 O ARG A 29 9.700 1.668 4.443 1.00 0.00 O ATOM 408 CB ARG A 29 11.185 1.267 1.560 1.00 0.00 C ATOM 409 CG ARG A 29 10.974 2.388 0.555 1.00 0.00 C ATOM 410 CD ARG A 29 12.297 2.909 0.016 1.00 0.00 C ATOM 411 NE ARG A 29 12.726 2.183 -1.176 1.00 0.00 N ATOM 412 CZ ARG A 29 13.989 2.124 -1.586 1.00 0.00 C ATOM 413 NH1 ARG A 29 14.941 2.743 -0.902 1.00 0.00 N ATOM 414 NH2 ARG A 29 14.300 1.443 -2.682 1.00 0.00 N ATOM 0 H ARG A 29 11.472 0.040 4.149 1.00 0.00 H new ATOM 0 HA ARG A 29 12.335 2.541 2.854 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.960 0.597 1.187 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.268 0.682 1.638 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.360 2.027 -0.270 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.426 3.203 1.027 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.200 3.969 -0.220 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.062 2.823 0.788 1.00 0.00 H new ATOM 0 HE ARG A 29 12.018 1.694 -1.724 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.705 3.266 -0.059 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.909 2.696 -1.219 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.570 0.965 -3.210 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.269 1.398 -2.997 1.00 0.00 H new ATOM 428 N TRP A 30 10.079 3.615 3.382 1.00 0.00 N ATOM 429 CA TRP A 30 8.942 4.294 3.993 1.00 0.00 C ATOM 430 C TRP A 30 7.762 4.354 3.029 1.00 0.00 C ATOM 431 O TRP A 30 7.835 4.997 1.981 1.00 0.00 O ATOM 432 CB TRP A 30 9.338 5.708 4.423 1.00 0.00 C ATOM 433 CG TRP A 30 8.162 6.597 4.695 1.00 0.00 C ATOM 434 CD1 TRP A 30 7.868 7.779 4.077 1.00 0.00 C ATOM 435 CD2 TRP A 30 7.124 6.376 5.656 1.00 0.00 C ATOM 436 NE1 TRP A 30 6.711 8.306 4.597 1.00 0.00 N ATOM 437 CE2 TRP A 30 6.234 7.464 5.566 1.00 0.00 C ATOM 438 CE3 TRP A 30 6.859 5.363 6.582 1.00 0.00 C ATOM 439 CZ2 TRP A 30 5.101 7.566 6.368 1.00 0.00 C ATOM 440 CZ3 TRP A 30 5.735 5.467 7.378 1.00 0.00 C ATOM 441 CH2 TRP A 30 4.866 6.561 7.267 1.00 0.00 C ATOM 0 H TRP A 30 10.619 4.192 2.737 1.00 0.00 H new ATOM 0 HA TRP A 30 8.640 3.725 4.872 1.00 0.00 H new ATOM 0 HB2 TRP A 30 9.954 5.648 5.320 1.00 0.00 H new ATOM 0 HB3 TRP A 30 9.952 6.159 3.644 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.458 8.233 3.295 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.277 9.183 4.308 1.00 0.00 H new ATOM 0 HE3 TRP A 30 7.521 4.515 6.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.431 8.409 6.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 5.522 4.691 8.099 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.994 6.612 7.903 1.00 0.00 H new ATOM 452 N PHE A 31 6.674 3.681 3.390 1.00 0.00 N ATOM 453 CA PHE A 31 5.478 3.658 2.556 1.00 0.00 C ATOM 454 C PHE A 31 4.373 4.515 3.166 1.00 0.00 C ATOM 455 O PHE A 31 4.179 4.525 4.382 1.00 0.00 O ATOM 456 CB PHE A 31 4.984 2.221 2.376 1.00 0.00 C ATOM 457 CG PHE A 31 5.847 1.401 1.461 1.00 0.00 C ATOM 458 CD1 PHE A 31 6.983 0.768 1.940 1.00 0.00 C ATOM 459 CD2 PHE A 31 5.522 1.262 0.121 1.00 0.00 C ATOM 460 CE1 PHE A 31 7.779 0.014 1.100 1.00 0.00 C ATOM 461 CE2 PHE A 31 6.314 0.508 -0.724 1.00 0.00 C ATOM 462 CZ PHE A 31 7.444 -0.118 -0.234 1.00 0.00 C ATOM 0 H PHE A 31 6.596 3.145 4.254 1.00 0.00 H new ATOM 0 HA PHE A 31 5.737 4.071 1.581 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.939 1.736 3.351 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.968 2.241 1.983 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.249 0.865 2.982 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.640 1.749 -0.267 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.663 -0.472 1.486 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.050 0.408 -1.766 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.064 -0.709 -0.892 1.00 0.00 H new ATOM 472 N PHE A 32 3.651 5.235 2.313 1.00 0.00 N ATOM 473 CA PHE A 32 2.566 6.097 2.767 1.00 0.00 C ATOM 474 C PHE A 32 1.493 6.233 1.691 1.00 0.00 C ATOM 475 O PHE A 32 1.785 6.585 0.548 1.00 0.00 O ATOM 476 CB PHE A 32 3.107 7.479 3.141 1.00 0.00 C ATOM 477 CG PHE A 32 3.432 8.337 1.952 1.00 0.00 C ATOM 478 CD1 PHE A 32 2.424 8.958 1.233 1.00 0.00 C ATOM 479 CD2 PHE A 32 4.746 8.524 1.555 1.00 0.00 C ATOM 480 CE1 PHE A 32 2.720 9.749 0.139 1.00 0.00 C ATOM 481 CE2 PHE A 32 5.048 9.314 0.462 1.00 0.00 C ATOM 482 CZ PHE A 32 4.034 9.926 -0.248 1.00 0.00 C ATOM 0 H PHE A 32 3.798 5.238 1.304 1.00 0.00 H new ATOM 0 HA PHE A 32 2.116 5.639 3.648 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.372 7.993 3.760 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.005 7.357 3.747 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.395 8.822 1.531 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.543 8.047 2.106 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.925 10.228 -0.413 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.077 9.453 0.163 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.268 10.542 -1.104 1.00 0.00 H new ATOM 492 N TYR A 33 0.250 5.950 2.065 1.00 0.00 N ATOM 493 CA TYR A 33 -0.867 6.037 1.132 1.00 0.00 C ATOM 494 C TYR A 33 -1.294 7.488 0.927 1.00 0.00 C ATOM 495 O TYR A 33 -1.241 8.299 1.852 1.00 0.00 O ATOM 496 CB TYR A 33 -2.050 5.213 1.642 1.00 0.00 C ATOM 497 CG TYR A 33 -3.304 5.375 0.812 1.00 0.00 C ATOM 498 CD1 TYR A 33 -3.557 4.540 -0.269 1.00 0.00 C ATOM 499 CD2 TYR A 33 -4.235 6.362 1.110 1.00 0.00 C ATOM 500 CE1 TYR A 33 -4.701 4.685 -1.031 1.00 0.00 C ATOM 501 CE2 TYR A 33 -5.382 6.513 0.355 1.00 0.00 C ATOM 502 CZ TYR A 33 -5.610 5.673 -0.714 1.00 0.00 C ATOM 503 OH TYR A 33 -6.751 5.819 -1.470 1.00 0.00 O ATOM 0 H TYR A 33 -0.009 5.658 3.007 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.539 5.635 0.174 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.769 4.160 1.658 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.266 5.501 2.671 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.848 3.764 -0.518 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.059 7.023 1.946 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.882 4.029 -1.869 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.096 7.285 0.601 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.286 6.559 -1.115 1.00 0.00 H new ATOM 513 N ASP A 34 -1.716 7.806 -0.292 1.00 0.00 N ATOM 514 CA ASP A 34 -2.154 9.158 -0.620 1.00 0.00 C ATOM 515 C ASP A 34 -3.639 9.179 -0.966 1.00 0.00 C ATOM 516 O ASP A 34 -4.037 8.771 -2.057 1.00 0.00 O ATOM 517 CB ASP A 34 -1.337 9.712 -1.789 1.00 0.00 C ATOM 518 CG ASP A 34 -1.381 11.225 -1.860 1.00 0.00 C ATOM 519 OD1 ASP A 34 -2.334 11.818 -1.311 1.00 0.00 O ATOM 520 OD2 ASP A 34 -0.463 11.818 -2.464 1.00 0.00 O ATOM 0 H ASP A 34 -1.764 7.147 -1.069 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.995 9.788 0.255 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.302 9.386 -1.692 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.716 9.296 -2.723 1.00 0.00 H new ATOM 525 N GLU A 35 -4.453 9.657 -0.030 1.00 0.00 N ATOM 526 CA GLU A 35 -5.895 9.728 -0.237 1.00 0.00 C ATOM 527 C GLU A 35 -6.255 10.884 -1.166 1.00 0.00 C ATOM 528 O GLU A 35 -7.430 11.153 -1.414 1.00 0.00 O ATOM 529 CB GLU A 35 -6.617 9.892 1.102 1.00 0.00 C ATOM 530 CG GLU A 35 -5.905 10.825 2.067 1.00 0.00 C ATOM 531 CD GLU A 35 -4.883 10.106 2.927 1.00 0.00 C ATOM 532 OE1 GLU A 35 -5.284 9.213 3.702 1.00 0.00 O ATOM 533 OE2 GLU A 35 -3.683 10.437 2.825 1.00 0.00 O ATOM 0 H GLU A 35 -4.139 10.000 0.878 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.216 8.796 -0.703 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.623 10.271 0.919 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.725 8.913 1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.409 11.615 1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.641 11.307 2.710 1.00 0.00 H new ATOM 540 N ARG A 36 -5.234 11.565 -1.676 1.00 0.00 N ATOM 541 CA ARG A 36 -5.441 12.693 -2.576 1.00 0.00 C ATOM 542 C ARG A 36 -5.344 12.251 -4.033 1.00 0.00 C ATOM 543 O ARG A 36 -6.027 12.790 -4.904 1.00 0.00 O ATOM 544 CB ARG A 36 -4.415 13.792 -2.296 1.00 0.00 C ATOM 545 CG ARG A 36 -4.378 14.235 -0.842 1.00 0.00 C ATOM 546 CD ARG A 36 -3.387 15.369 -0.630 1.00 0.00 C ATOM 547 NE ARG A 36 -3.789 16.250 0.463 1.00 0.00 N ATOM 548 CZ ARG A 36 -2.945 17.034 1.124 1.00 0.00 C ATOM 549 NH1 ARG A 36 -1.658 17.046 0.805 1.00 0.00 N ATOM 550 NH2 ARG A 36 -3.388 17.808 2.106 1.00 0.00 N ATOM 0 H ARG A 36 -4.255 11.355 -1.481 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.442 13.087 -2.399 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.426 13.436 -2.584 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.638 14.654 -2.924 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.373 14.557 -0.533 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.106 13.390 -0.210 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.402 14.954 -0.418 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.298 15.949 -1.549 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.772 16.264 0.734 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.314 16.452 0.050 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.012 17.649 1.314 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.377 17.801 2.354 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.739 18.410 2.613 1.00 0.00 H new ATOM 564 N LYS A 37 -4.489 11.267 -4.292 1.00 0.00 N ATOM 565 CA LYS A 37 -4.302 10.751 -5.642 1.00 0.00 C ATOM 566 C LYS A 37 -4.657 9.269 -5.713 1.00 0.00 C ATOM 567 O LYS A 37 -4.321 8.586 -6.681 1.00 0.00 O ATOM 568 CB LYS A 37 -2.855 10.962 -6.095 1.00 0.00 C ATOM 569 CG LYS A 37 -2.382 12.400 -5.970 1.00 0.00 C ATOM 570 CD LYS A 37 -0.912 12.536 -6.329 1.00 0.00 C ATOM 571 CE LYS A 37 -0.606 13.908 -6.911 1.00 0.00 C ATOM 572 NZ LYS A 37 -0.396 14.928 -5.846 1.00 0.00 N ATOM 0 H LYS A 37 -3.914 10.811 -3.583 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.969 11.298 -6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.201 10.321 -5.504 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.758 10.646 -7.134 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.978 13.038 -6.623 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.542 12.749 -4.950 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.302 12.372 -5.440 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.639 11.765 -7.049 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.285 13.847 -7.536 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.427 14.220 -7.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.190 15.849 -6.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.255 15.005 -5.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.404 14.643 -5.245 1.00 0.00 H new ATOM 586 N CYS A 38 -5.338 8.779 -4.683 1.00 0.00 N ATOM 587 CA CYS A 38 -5.740 7.378 -4.629 1.00 0.00 C ATOM 588 C CYS A 38 -4.604 6.469 -5.089 1.00 0.00 C ATOM 589 O CYS A 38 -4.817 5.544 -5.871 1.00 0.00 O ATOM 590 CB CYS A 38 -6.978 7.147 -5.497 1.00 0.00 C ATOM 591 SG CYS A 38 -6.642 7.135 -7.273 1.00 0.00 S ATOM 0 H CYS A 38 -5.623 9.331 -3.874 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.981 7.134 -3.594 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.432 6.196 -5.218 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.710 7.926 -5.282 1.00 0.00 H new ATOM 0 HG CYS A 38 -5.590 7.858 -7.521 1.00 0.00 H new ATOM 597 N GLN A 39 -3.400 6.742 -4.598 1.00 0.00 N ATOM 598 CA GLN A 39 -2.230 5.949 -4.961 1.00 0.00 C ATOM 599 C GLN A 39 -1.334 5.715 -3.750 1.00 0.00 C ATOM 600 O GLN A 39 -1.409 6.443 -2.759 1.00 0.00 O ATOM 601 CB GLN A 39 -1.439 6.647 -6.069 1.00 0.00 C ATOM 602 CG GLN A 39 -2.037 6.460 -7.454 1.00 0.00 C ATOM 603 CD GLN A 39 -0.994 6.520 -8.552 1.00 0.00 C ATOM 604 OE1 GLN A 39 0.183 6.241 -8.323 1.00 0.00 O ATOM 605 NE2 GLN A 39 -1.421 6.886 -9.755 1.00 0.00 N ATOM 0 H GLN A 39 -3.208 7.505 -3.949 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.576 4.982 -5.325 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.383 7.713 -5.848 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.417 6.267 -6.069 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.550 5.499 -7.497 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.788 7.231 -7.629 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.406 7.109 -9.901 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.764 6.945 -10.533 1.00 0.00 H new ATOM 614 N LEU A 40 -0.487 4.696 -3.835 1.00 0.00 N ATOM 615 CA LEU A 40 0.425 4.365 -2.745 1.00 0.00 C ATOM 616 C LEU A 40 1.836 4.857 -3.048 1.00 0.00 C ATOM 617 O LEU A 40 2.534 4.293 -3.892 1.00 0.00 O ATOM 618 CB LEU A 40 0.439 2.854 -2.507 1.00 0.00 C ATOM 619 CG LEU A 40 1.343 2.361 -1.376 1.00 0.00 C ATOM 620 CD1 LEU A 40 0.728 2.682 -0.023 1.00 0.00 C ATOM 621 CD2 LEU A 40 1.596 0.867 -1.508 1.00 0.00 C ATOM 0 H LEU A 40 -0.412 4.084 -4.648 1.00 0.00 H new ATOM 0 HA LEU A 40 0.072 4.865 -1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.580 2.530 -2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.746 2.364 -3.431 1.00 0.00 H new ATOM 0 HG LEU A 40 2.299 2.879 -1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.385 2.324 0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.600 3.760 0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.242 2.192 0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.241 0.534 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.648 0.332 -1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.081 0.663 -2.463 1.00 0.00 H new ATOM 633 N TYR A 41 2.252 5.909 -2.352 1.00 0.00 N ATOM 634 CA TYR A 41 3.581 6.478 -2.547 1.00 0.00 C ATOM 635 C TYR A 41 4.519 6.068 -1.416 1.00 0.00 C ATOM 636 O TYR A 41 4.103 5.938 -0.264 1.00 0.00 O ATOM 637 CB TYR A 41 3.499 8.003 -2.629 1.00 0.00 C ATOM 638 CG TYR A 41 2.749 8.504 -3.843 1.00 0.00 C ATOM 639 CD1 TYR A 41 1.364 8.617 -3.830 1.00 0.00 C ATOM 640 CD2 TYR A 41 3.425 8.865 -5.001 1.00 0.00 C ATOM 641 CE1 TYR A 41 0.675 9.074 -4.937 1.00 0.00 C ATOM 642 CE2 TYR A 41 2.744 9.325 -6.112 1.00 0.00 C ATOM 643 CZ TYR A 41 1.369 9.426 -6.075 1.00 0.00 C ATOM 644 OH TYR A 41 0.686 9.883 -7.179 1.00 0.00 O ATOM 0 H TYR A 41 1.689 6.385 -1.648 1.00 0.00 H new ATOM 0 HA TYR A 41 3.980 6.092 -3.485 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.013 8.381 -1.730 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.509 8.413 -2.641 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.817 8.343 -2.940 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.502 8.785 -5.034 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.402 9.155 -4.911 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.285 9.604 -7.004 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.267 9.674 -7.084 1.00 0.00 H new ATOM 654 N TYR A 42 5.788 5.867 -1.752 1.00 0.00 N ATOM 655 CA TYR A 42 6.787 5.470 -0.767 1.00 0.00 C ATOM 656 C TYR A 42 8.147 6.077 -1.095 1.00 0.00 C ATOM 657 O TYR A 42 8.480 6.289 -2.262 1.00 0.00 O ATOM 658 CB TYR A 42 6.897 3.946 -0.707 1.00 0.00 C ATOM 659 CG TYR A 42 7.649 3.347 -1.874 1.00 0.00 C ATOM 660 CD1 TYR A 42 9.038 3.345 -1.903 1.00 0.00 C ATOM 661 CD2 TYR A 42 6.971 2.783 -2.947 1.00 0.00 C ATOM 662 CE1 TYR A 42 9.730 2.800 -2.967 1.00 0.00 C ATOM 663 CE2 TYR A 42 7.654 2.234 -4.015 1.00 0.00 C ATOM 664 CZ TYR A 42 9.033 2.245 -4.020 1.00 0.00 C ATOM 665 OH TYR A 42 9.717 1.700 -5.083 1.00 0.00 O ATOM 0 H TYR A 42 6.150 5.973 -2.700 1.00 0.00 H new ATOM 0 HA TYR A 42 6.469 5.843 0.206 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.396 3.662 0.220 1.00 0.00 H new ATOM 0 HB3 TYR A 42 5.895 3.519 -0.674 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.586 3.777 -1.079 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.891 2.773 -2.946 1.00 0.00 H new ATOM 0 HE1 TYR A 42 10.810 2.808 -2.974 1.00 0.00 H new ATOM 0 HE2 TYR A 42 7.111 1.799 -4.841 1.00 0.00 H new ATOM 0 HH TYR A 42 9.078 1.351 -5.739 1.00 0.00 H new ATOM 675 N SER A 43 8.930 6.355 -0.058 1.00 0.00 N ATOM 676 CA SER A 43 10.254 6.940 -0.234 1.00 0.00 C ATOM 677 C SER A 43 11.245 6.356 0.768 1.00 0.00 C ATOM 678 O SER A 43 10.914 5.441 1.523 1.00 0.00 O ATOM 679 CB SER A 43 10.188 8.460 -0.075 1.00 0.00 C ATOM 680 OG SER A 43 9.627 8.818 1.176 1.00 0.00 O ATOM 0 H SER A 43 8.670 6.184 0.914 1.00 0.00 H new ATOM 0 HA SER A 43 10.598 6.701 -1.240 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.189 8.882 -0.162 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.591 8.887 -0.881 1.00 0.00 H new ATOM 0 HG SER A 43 10.345 9.035 1.807 1.00 0.00 H new ATOM 686 N ARG A 44 12.461 6.891 0.769 1.00 0.00 N ATOM 687 CA ARG A 44 13.501 6.422 1.677 1.00 0.00 C ATOM 688 C ARG A 44 13.125 6.708 3.128 1.00 0.00 C ATOM 689 O ARG A 44 13.340 5.877 4.012 1.00 0.00 O ATOM 690 CB ARG A 44 14.837 7.090 1.345 1.00 0.00 C ATOM 691 CG ARG A 44 15.195 7.034 -0.131 1.00 0.00 C ATOM 692 CD ARG A 44 16.202 8.111 -0.502 1.00 0.00 C ATOM 693 NE ARG A 44 17.579 7.645 -0.362 1.00 0.00 N ATOM 694 CZ ARG A 44 18.221 6.958 -1.301 1.00 0.00 C ATOM 695 NH1 ARG A 44 17.613 6.658 -2.440 1.00 0.00 N ATOM 696 NH2 ARG A 44 19.473 6.569 -1.100 1.00 0.00 N ATOM 0 H ARG A 44 12.751 7.649 0.151 1.00 0.00 H new ATOM 0 HA ARG A 44 13.600 5.344 1.550 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.801 8.132 1.662 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.627 6.608 1.921 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.606 6.053 -0.370 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.293 7.156 -0.730 1.00 0.00 H new ATOM 0 HD2 ARG A 44 16.030 8.429 -1.530 1.00 0.00 H new ATOM 0 HD3 ARG A 44 16.049 8.984 0.132 1.00 0.00 H new ATOM 0 HE ARG A 44 18.075 7.858 0.503 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.650 6.955 -2.598 1.00 0.00 H new ATOM 0 HH12 ARG A 44 18.108 6.131 -3.159 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.944 6.797 -0.224 1.00 0.00 H new ATOM 0 HH22 ARG A 44 19.965 6.042 -1.821 1.00 0.00 H new ATOM 710 N THR A 45 12.563 7.888 3.367 1.00 0.00 N ATOM 711 CA THR A 45 12.159 8.284 4.711 1.00 0.00 C ATOM 712 C THR A 45 10.922 9.174 4.672 1.00 0.00 C ATOM 713 O THR A 45 10.499 9.621 3.606 1.00 0.00 O ATOM 714 CB THR A 45 13.291 9.030 5.441 1.00 0.00 C ATOM 715 OG1 THR A 45 13.391 10.371 4.951 1.00 0.00 O ATOM 716 CG2 THR A 45 14.621 8.315 5.251 1.00 0.00 C ATOM 0 H THR A 45 12.377 8.587 2.648 1.00 0.00 H new ATOM 0 HA THR A 45 11.928 7.368 5.255 1.00 0.00 H new ATOM 0 HB THR A 45 13.055 9.050 6.505 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.112 10.838 5.422 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.405 8.860 5.776 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.551 7.304 5.652 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.860 8.268 4.189 1.00 0.00 H new ATOM 724 N ALA A 46 10.346 9.429 5.843 1.00 0.00 N ATOM 725 CA ALA A 46 9.158 10.269 5.943 1.00 0.00 C ATOM 726 C ALA A 46 9.508 11.740 5.747 1.00 0.00 C ATOM 727 O ALA A 46 8.637 12.561 5.460 1.00 0.00 O ATOM 728 CB ALA A 46 8.476 10.060 7.287 1.00 0.00 C ATOM 0 H ALA A 46 10.683 9.066 6.735 1.00 0.00 H new ATOM 0 HA ALA A 46 8.469 9.978 5.150 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.591 10.693 7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.182 9.015 7.387 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.166 10.322 8.090 1.00 0.00 H new ATOM 734 N GLN A 47 10.787 12.065 5.905 1.00 0.00 N ATOM 735 CA GLN A 47 11.251 13.439 5.748 1.00 0.00 C ATOM 736 C GLN A 47 11.329 13.821 4.273 1.00 0.00 C ATOM 737 O GLN A 47 11.155 14.985 3.913 1.00 0.00 O ATOM 738 CB GLN A 47 12.620 13.617 6.407 1.00 0.00 C ATOM 739 CG GLN A 47 12.544 13.923 7.894 1.00 0.00 C ATOM 740 CD GLN A 47 11.581 15.052 8.208 1.00 0.00 C ATOM 741 OE1 GLN A 47 11.787 16.193 7.793 1.00 0.00 O ATOM 742 NE2 GLN A 47 10.522 14.738 8.946 1.00 0.00 N ATOM 0 H GLN A 47 11.520 11.396 6.141 1.00 0.00 H new ATOM 0 HA GLN A 47 10.533 14.097 6.238 1.00 0.00 H new ATOM 0 HB2 GLN A 47 13.205 12.709 6.261 1.00 0.00 H new ATOM 0 HB3 GLN A 47 13.153 14.424 5.905 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.234 13.026 8.430 1.00 0.00 H new ATOM 0 HG3 GLN A 47 13.537 14.185 8.259 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.391 13.779 9.268 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.840 15.456 9.190 1.00 0.00 H new ATOM 751 N ASP A 48 11.593 12.833 3.425 1.00 0.00 N ATOM 752 CA ASP A 48 11.695 13.066 1.989 1.00 0.00 C ATOM 753 C ASP A 48 10.312 13.237 1.367 1.00 0.00 C ATOM 754 O ASP A 48 9.842 12.373 0.627 1.00 0.00 O ATOM 755 CB ASP A 48 12.431 11.907 1.314 1.00 0.00 C ATOM 756 CG ASP A 48 13.934 11.994 1.494 1.00 0.00 C ATOM 757 OD1 ASP A 48 14.461 13.124 1.542 1.00 0.00 O ATOM 758 OD2 ASP A 48 14.583 10.930 1.587 1.00 0.00 O ATOM 0 H ASP A 48 11.740 11.864 3.707 1.00 0.00 H new ATOM 0 HA ASP A 48 12.260 13.985 1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 48 12.072 10.964 1.726 1.00 0.00 H new ATOM 0 HB3 ASP A 48 12.195 11.901 0.250 1.00 0.00 H new ATOM 763 N ALA A 49 9.665 14.357 1.674 1.00 0.00 N ATOM 764 CA ALA A 49 8.338 14.641 1.144 1.00 0.00 C ATOM 765 C ALA A 49 8.181 14.092 -0.269 1.00 0.00 C ATOM 766 O ALA A 49 7.123 13.579 -0.632 1.00 0.00 O ATOM 767 CB ALA A 49 8.072 16.139 1.163 1.00 0.00 C ATOM 0 H ALA A 49 10.039 15.082 2.287 1.00 0.00 H new ATOM 0 HA ALA A 49 7.606 14.145 1.781 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.077 16.337 0.764 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.132 16.506 2.188 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.816 16.648 0.551 1.00 0.00 H new ATOM 773 N ASN A 50 9.241 14.203 -1.064 1.00 0.00 N ATOM 774 CA ASN A 50 9.219 13.718 -2.439 1.00 0.00 C ATOM 775 C ASN A 50 9.233 12.193 -2.478 1.00 0.00 C ATOM 776 O ASN A 50 10.218 11.547 -2.119 1.00 0.00 O ATOM 777 CB ASN A 50 10.417 14.270 -3.215 1.00 0.00 C ATOM 778 CG ASN A 50 10.752 15.696 -2.823 1.00 0.00 C ATOM 779 OD1 ASN A 50 11.892 16.006 -2.479 1.00 0.00 O ATOM 780 ND2 ASN A 50 9.756 16.573 -2.874 1.00 0.00 N ATOM 0 H ASN A 50 10.125 14.624 -0.779 1.00 0.00 H new ATOM 0 HA ASN A 50 8.299 14.067 -2.907 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.285 13.634 -3.039 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.204 14.230 -4.283 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.921 17.548 -2.622 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.826 16.272 -3.165 1.00 0.00 H new ATOM 787 N PRO A 51 8.115 11.602 -2.925 1.00 0.00 N ATOM 788 CA PRO A 51 7.973 10.147 -3.023 1.00 0.00 C ATOM 789 C PRO A 51 8.845 9.552 -4.125 1.00 0.00 C ATOM 790 O PRO A 51 8.940 10.106 -5.221 1.00 0.00 O ATOM 791 CB PRO A 51 6.491 9.956 -3.353 1.00 0.00 C ATOM 792 CG PRO A 51 6.083 11.227 -4.014 1.00 0.00 C ATOM 793 CD PRO A 51 6.903 12.310 -3.370 1.00 0.00 C ATOM 0 HA PRO A 51 8.288 9.645 -2.108 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.339 9.101 -4.012 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.905 9.773 -2.452 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.266 11.185 -5.088 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.017 11.412 -3.880 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.139 13.108 -4.074 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.376 12.769 -2.534 1.00 0.00 H new ATOM 801 N LEU A 52 9.478 8.423 -3.827 1.00 0.00 N ATOM 802 CA LEU A 52 10.342 7.753 -4.793 1.00 0.00 C ATOM 803 C LEU A 52 9.522 7.140 -5.924 1.00 0.00 C ATOM 804 O LEU A 52 9.750 7.430 -7.098 1.00 0.00 O ATOM 805 CB LEU A 52 11.168 6.668 -4.101 1.00 0.00 C ATOM 806 CG LEU A 52 12.242 7.159 -3.130 1.00 0.00 C ATOM 807 CD1 LEU A 52 12.867 5.988 -2.388 1.00 0.00 C ATOM 808 CD2 LEU A 52 13.308 7.954 -3.870 1.00 0.00 C ATOM 0 H LEU A 52 9.409 7.952 -2.925 1.00 0.00 H new ATOM 0 HA LEU A 52 11.015 8.497 -5.219 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.487 6.013 -3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.650 6.062 -4.868 1.00 0.00 H new ATOM 0 HG LEU A 52 11.770 7.815 -2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.629 6.357 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.097 5.461 -1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.324 5.305 -3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.064 8.295 -3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.776 7.321 -4.624 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.849 8.816 -4.354 1.00 0.00 H new ATOM 820 N ASP A 53 8.564 6.294 -5.561 1.00 0.00 N ATOM 821 CA ASP A 53 7.707 5.642 -6.545 1.00 0.00 C ATOM 822 C ASP A 53 6.287 5.485 -6.009 1.00 0.00 C ATOM 823 O ASP A 53 6.068 5.474 -4.798 1.00 0.00 O ATOM 824 CB ASP A 53 8.277 4.274 -6.923 1.00 0.00 C ATOM 825 CG ASP A 53 9.271 4.356 -8.064 1.00 0.00 C ATOM 826 OD1 ASP A 53 8.840 4.267 -9.233 1.00 0.00 O ATOM 827 OD2 ASP A 53 10.480 4.509 -7.790 1.00 0.00 O ATOM 0 H ASP A 53 8.361 6.044 -4.593 1.00 0.00 H new ATOM 0 HA ASP A 53 7.673 6.271 -7.435 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.763 3.833 -6.053 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.461 3.608 -7.203 1.00 0.00 H new ATOM 832 N SER A 54 5.327 5.364 -6.919 1.00 0.00 N ATOM 833 CA SER A 54 3.927 5.212 -6.539 1.00 0.00 C ATOM 834 C SER A 54 3.326 3.959 -7.167 1.00 0.00 C ATOM 835 O SER A 54 3.779 3.499 -8.216 1.00 0.00 O ATOM 836 CB SER A 54 3.125 6.444 -6.962 1.00 0.00 C ATOM 837 OG SER A 54 2.718 6.347 -8.316 1.00 0.00 O ATOM 0 H SER A 54 5.492 5.368 -7.925 1.00 0.00 H new ATOM 0 HA SER A 54 3.880 5.111 -5.455 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.249 6.549 -6.322 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.730 7.340 -6.824 1.00 0.00 H new ATOM 0 HG SER A 54 1.772 6.095 -8.356 1.00 0.00 H new ATOM 843 N ILE A 55 2.303 3.412 -6.519 1.00 0.00 N ATOM 844 CA ILE A 55 1.639 2.213 -7.014 1.00 0.00 C ATOM 845 C ILE A 55 0.123 2.382 -7.008 1.00 0.00 C ATOM 846 O ILE A 55 -0.485 2.582 -5.957 1.00 0.00 O ATOM 847 CB ILE A 55 2.009 0.976 -6.174 1.00 0.00 C ATOM 848 CG1 ILE A 55 3.529 0.813 -6.110 1.00 0.00 C ATOM 849 CG2 ILE A 55 1.361 -0.272 -6.754 1.00 0.00 C ATOM 850 CD1 ILE A 55 4.181 1.644 -5.027 1.00 0.00 C ATOM 0 H ILE A 55 1.916 3.780 -5.650 1.00 0.00 H new ATOM 0 HA ILE A 55 1.982 2.063 -8.038 1.00 0.00 H new ATOM 0 HB ILE A 55 1.634 1.118 -5.160 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.767 -0.238 -5.943 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.957 1.088 -7.074 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.632 -1.137 -6.149 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.277 -0.153 -6.753 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.708 -0.421 -7.776 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.258 1.478 -5.040 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.974 2.699 -5.204 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.781 1.354 -4.055 1.00 0.00 H new ATOM 862 N ASP A 56 -0.480 2.299 -8.189 1.00 0.00 N ATOM 863 CA ASP A 56 -1.926 2.440 -8.320 1.00 0.00 C ATOM 864 C ASP A 56 -2.648 1.266 -7.667 1.00 0.00 C ATOM 865 O ASP A 56 -2.582 0.135 -8.153 1.00 0.00 O ATOM 866 CB ASP A 56 -2.318 2.540 -9.795 1.00 0.00 C ATOM 867 CG ASP A 56 -3.809 2.376 -10.010 1.00 0.00 C ATOM 868 OD1 ASP A 56 -4.563 3.314 -9.676 1.00 0.00 O ATOM 869 OD2 ASP A 56 -4.223 1.310 -10.511 1.00 0.00 O ATOM 0 H ASP A 56 0.009 2.135 -9.069 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.225 3.356 -7.810 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.001 3.506 -10.187 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.786 1.776 -10.362 1.00 0.00 H new ATOM 874 N LEU A 57 -3.335 1.540 -6.564 1.00 0.00 N ATOM 875 CA LEU A 57 -4.070 0.506 -5.844 1.00 0.00 C ATOM 876 C LEU A 57 -5.435 0.264 -6.479 1.00 0.00 C ATOM 877 O LEU A 57 -6.043 -0.789 -6.288 1.00 0.00 O ATOM 878 CB LEU A 57 -4.240 0.902 -4.376 1.00 0.00 C ATOM 879 CG LEU A 57 -2.951 1.188 -3.604 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.263 1.540 -2.158 1.00 0.00 C ATOM 881 CD2 LEU A 57 -2.012 -0.006 -3.674 1.00 0.00 C ATOM 0 H LEU A 57 -3.399 2.469 -6.149 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.496 -0.419 -5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.871 1.789 -4.331 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.776 0.103 -3.865 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.455 2.042 -4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.334 1.740 -1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.897 2.426 -2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.781 0.706 -1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.100 0.215 -3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.499 -0.878 -3.238 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.763 -0.212 -4.715 1.00 0.00 H new ATOM 893 N SER A 58 -5.912 1.247 -7.237 1.00 0.00 N ATOM 894 CA SER A 58 -7.206 1.142 -7.900 1.00 0.00 C ATOM 895 C SER A 58 -7.398 -0.246 -8.502 1.00 0.00 C ATOM 896 O SER A 58 -8.399 -0.914 -8.245 1.00 0.00 O ATOM 897 CB SER A 58 -7.331 2.206 -8.992 1.00 0.00 C ATOM 898 OG SER A 58 -8.670 2.318 -9.444 1.00 0.00 O ATOM 0 H SER A 58 -5.421 2.125 -7.407 1.00 0.00 H new ATOM 0 HA SER A 58 -7.983 1.305 -7.153 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.992 3.168 -8.607 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.681 1.951 -9.829 1.00 0.00 H new ATOM 0 HG SER A 58 -8.724 3.006 -10.140 1.00 0.00 H new ATOM 904 N SER A 59 -6.429 -0.675 -9.305 1.00 0.00 N ATOM 905 CA SER A 59 -6.491 -1.982 -9.948 1.00 0.00 C ATOM 906 C SER A 59 -5.426 -2.917 -9.382 1.00 0.00 C ATOM 907 O SER A 59 -4.882 -3.759 -10.096 1.00 0.00 O ATOM 908 CB SER A 59 -6.310 -1.840 -11.460 1.00 0.00 C ATOM 909 OG SER A 59 -7.555 -1.639 -12.107 1.00 0.00 O ATOM 0 H SER A 59 -5.592 -0.136 -9.526 1.00 0.00 H new ATOM 0 HA SER A 59 -7.472 -2.412 -9.746 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.647 -1.002 -11.673 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.830 -2.735 -11.857 1.00 0.00 H new ATOM 0 HG SER A 59 -7.411 -1.550 -13.072 1.00 0.00 H new ATOM 915 N ALA A 60 -5.134 -2.761 -8.095 1.00 0.00 N ATOM 916 CA ALA A 60 -4.136 -3.591 -7.432 1.00 0.00 C ATOM 917 C ALA A 60 -4.795 -4.605 -6.503 1.00 0.00 C ATOM 918 O ALA A 60 -5.806 -4.312 -5.865 1.00 0.00 O ATOM 919 CB ALA A 60 -3.157 -2.722 -6.658 1.00 0.00 C ATOM 0 H ALA A 60 -5.575 -2.067 -7.491 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.589 -4.141 -8.198 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.417 -3.355 -6.168 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.654 -2.041 -7.344 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.697 -2.146 -5.906 1.00 0.00 H new ATOM 925 N VAL A 61 -4.217 -5.800 -6.433 1.00 0.00 N ATOM 926 CA VAL A 61 -4.748 -6.857 -5.581 1.00 0.00 C ATOM 927 C VAL A 61 -3.715 -7.306 -4.553 1.00 0.00 C ATOM 928 O VAL A 61 -2.642 -7.793 -4.907 1.00 0.00 O ATOM 929 CB VAL A 61 -5.192 -8.076 -6.412 1.00 0.00 C ATOM 930 CG1 VAL A 61 -4.304 -8.242 -7.635 1.00 0.00 C ATOM 931 CG2 VAL A 61 -5.179 -9.335 -5.558 1.00 0.00 C ATOM 0 H VAL A 61 -3.381 -6.060 -6.956 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.614 -6.443 -5.064 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.213 -7.907 -6.755 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.633 -9.108 -8.209 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.370 -7.349 -8.256 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.272 -8.388 -7.318 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.495 -10.187 -6.160 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.171 -9.510 -5.183 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.862 -9.212 -4.718 1.00 0.00 H new ATOM 941 N PHE A 62 -4.047 -7.138 -3.277 1.00 0.00 N ATOM 942 CA PHE A 62 -3.148 -7.525 -2.196 1.00 0.00 C ATOM 943 C PHE A 62 -3.408 -8.964 -1.762 1.00 0.00 C ATOM 944 O PHE A 62 -4.550 -9.354 -1.517 1.00 0.00 O ATOM 945 CB PHE A 62 -3.316 -6.582 -1.003 1.00 0.00 C ATOM 946 CG PHE A 62 -3.741 -5.194 -1.390 1.00 0.00 C ATOM 947 CD1 PHE A 62 -2.894 -4.374 -2.117 1.00 0.00 C ATOM 948 CD2 PHE A 62 -4.987 -4.710 -1.027 1.00 0.00 C ATOM 949 CE1 PHE A 62 -3.281 -3.097 -2.476 1.00 0.00 C ATOM 950 CE2 PHE A 62 -5.380 -3.434 -1.383 1.00 0.00 C ATOM 951 CZ PHE A 62 -4.526 -2.626 -2.107 1.00 0.00 C ATOM 0 H PHE A 62 -4.932 -6.737 -2.966 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.125 -7.455 -2.565 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.054 -7.002 -0.320 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.373 -6.526 -0.459 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.919 -4.737 -2.407 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.659 -5.337 -0.459 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.611 -2.468 -3.044 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.355 -3.069 -1.095 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.831 -1.628 -2.384 1.00 0.00 H new ATOM 961 N ASP A 63 -2.341 -9.750 -1.670 1.00 0.00 N ATOM 962 CA ASP A 63 -2.452 -11.146 -1.265 1.00 0.00 C ATOM 963 C ASP A 63 -1.448 -11.474 -0.164 1.00 0.00 C ATOM 964 O ASP A 63 -0.624 -10.638 0.207 1.00 0.00 O ATOM 965 CB ASP A 63 -2.230 -12.067 -2.466 1.00 0.00 C ATOM 966 CG ASP A 63 -2.710 -13.481 -2.208 1.00 0.00 C ATOM 967 OD1 ASP A 63 -3.940 -13.698 -2.201 1.00 0.00 O ATOM 968 OD2 ASP A 63 -1.857 -14.372 -2.012 1.00 0.00 O ATOM 0 H ASP A 63 -1.389 -9.444 -1.871 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.457 -11.307 -0.875 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.752 -11.662 -3.332 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.169 -12.086 -2.714 1.00 0.00 H new ATOM 973 N CYS A 64 -1.523 -12.695 0.354 1.00 0.00 N ATOM 974 CA CYS A 64 -0.622 -13.133 1.414 1.00 0.00 C ATOM 975 C CYS A 64 0.320 -14.222 0.911 1.00 0.00 C ATOM 976 O CYS A 64 -0.065 -15.067 0.102 1.00 0.00 O ATOM 977 CB CYS A 64 -1.422 -13.648 2.611 1.00 0.00 C ATOM 978 SG CYS A 64 -2.508 -15.043 2.229 1.00 0.00 S ATOM 0 H CYS A 64 -2.199 -13.399 0.057 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.025 -12.276 1.726 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.728 -13.946 3.397 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.024 -12.832 3.010 1.00 0.00 H new ATOM 0 HG CYS A 64 -2.060 -15.667 1.180 1.00 0.00 H new ATOM 984 N LYS A 65 1.558 -14.195 1.393 1.00 0.00 N ATOM 985 CA LYS A 65 2.557 -15.178 0.993 1.00 0.00 C ATOM 986 C LYS A 65 2.351 -16.496 1.734 1.00 0.00 C ATOM 987 O LYS A 65 1.420 -16.634 2.526 1.00 0.00 O ATOM 988 CB LYS A 65 3.965 -14.644 1.263 1.00 0.00 C ATOM 989 CG LYS A 65 4.560 -13.879 0.094 1.00 0.00 C ATOM 990 CD LYS A 65 5.161 -14.818 -0.939 1.00 0.00 C ATOM 991 CE LYS A 65 6.529 -15.322 -0.506 1.00 0.00 C ATOM 992 NZ LYS A 65 7.088 -16.308 -1.471 1.00 0.00 N ATOM 0 H LYS A 65 1.893 -13.502 2.062 1.00 0.00 H new ATOM 0 HA LYS A 65 2.443 -15.360 -0.076 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.936 -13.992 2.136 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.620 -15.479 1.511 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.787 -13.269 -0.374 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.328 -13.197 0.458 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.493 -15.665 -1.095 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.248 -14.301 -1.895 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.213 -14.479 -0.411 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.451 -15.782 0.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.021 -16.627 -1.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.448 -17.125 -1.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.186 -15.862 -2.405 1.00 0.00 H new ATOM 1006 N ALA A 66 3.228 -17.460 1.472 1.00 0.00 N ATOM 1007 CA ALA A 66 3.144 -18.764 2.117 1.00 0.00 C ATOM 1008 C ALA A 66 3.536 -18.676 3.588 1.00 0.00 C ATOM 1009 O ALA A 66 2.890 -19.272 4.450 1.00 0.00 O ATOM 1010 CB ALA A 66 4.027 -19.769 1.393 1.00 0.00 C ATOM 0 H ALA A 66 4.004 -17.362 0.818 1.00 0.00 H new ATOM 0 HA ALA A 66 2.109 -19.101 2.064 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.954 -20.739 1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.699 -19.863 0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.062 -19.427 1.416 1.00 0.00 H new ATOM 1016 N ASP A 67 4.599 -17.929 3.868 1.00 0.00 N ATOM 1017 CA ASP A 67 5.077 -17.762 5.236 1.00 0.00 C ATOM 1018 C ASP A 67 4.387 -16.583 5.913 1.00 0.00 C ATOM 1019 O ASP A 67 4.989 -15.882 6.726 1.00 0.00 O ATOM 1020 CB ASP A 67 6.593 -17.557 5.247 1.00 0.00 C ATOM 1021 CG ASP A 67 7.348 -18.793 4.798 1.00 0.00 C ATOM 1022 OD1 ASP A 67 7.196 -19.848 5.447 1.00 0.00 O ATOM 1023 OD2 ASP A 67 8.091 -18.704 3.798 1.00 0.00 O ATOM 0 H ASP A 67 5.146 -17.430 3.166 1.00 0.00 H new ATOM 0 HA ASP A 67 4.836 -18.668 5.792 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.848 -16.722 4.595 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.913 -17.285 6.253 1.00 0.00 H new ATOM 1028 N ALA A 68 3.120 -16.369 5.571 1.00 0.00 N ATOM 1029 CA ALA A 68 2.348 -15.275 6.147 1.00 0.00 C ATOM 1030 C ALA A 68 2.426 -15.290 7.670 1.00 0.00 C ATOM 1031 O ALA A 68 2.214 -14.268 8.321 1.00 0.00 O ATOM 1032 CB ALA A 68 0.899 -15.355 5.690 1.00 0.00 C ATOM 0 H ALA A 68 2.607 -16.939 4.898 1.00 0.00 H new ATOM 0 HA ALA A 68 2.777 -14.336 5.797 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.334 -14.532 6.127 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.856 -15.287 4.603 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.468 -16.303 6.012 1.00 0.00 H new ATOM 1038 N GLU A 69 2.729 -16.457 8.231 1.00 0.00 N ATOM 1039 CA GLU A 69 2.833 -16.603 9.678 1.00 0.00 C ATOM 1040 C GLU A 69 3.661 -15.473 10.282 1.00 0.00 C ATOM 1041 O GLU A 69 3.478 -15.107 11.442 1.00 0.00 O ATOM 1042 CB GLU A 69 3.458 -17.954 10.032 1.00 0.00 C ATOM 1043 CG GLU A 69 4.899 -18.098 9.571 1.00 0.00 C ATOM 1044 CD GLU A 69 5.483 -19.459 9.897 1.00 0.00 C ATOM 1045 OE1 GLU A 69 5.571 -19.795 11.097 1.00 0.00 O ATOM 1046 OE2 GLU A 69 5.852 -20.187 8.952 1.00 0.00 O ATOM 0 H GLU A 69 2.906 -17.313 7.706 1.00 0.00 H new ATOM 0 HA GLU A 69 1.827 -16.555 10.095 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.416 -18.092 11.112 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.861 -18.749 9.585 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.950 -17.933 8.495 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.506 -17.324 10.041 1.00 0.00 H new ATOM 1053 N GLU A 70 4.573 -14.925 9.485 1.00 0.00 N ATOM 1054 CA GLU A 70 5.431 -13.837 9.941 1.00 0.00 C ATOM 1055 C GLU A 70 4.797 -12.482 9.641 1.00 0.00 C ATOM 1056 O GLU A 70 4.831 -11.572 10.468 1.00 0.00 O ATOM 1057 CB GLU A 70 6.806 -13.929 9.275 1.00 0.00 C ATOM 1058 CG GLU A 70 7.585 -12.625 9.309 1.00 0.00 C ATOM 1059 CD GLU A 70 9.076 -12.832 9.124 1.00 0.00 C ATOM 1060 OE1 GLU A 70 9.757 -13.165 10.116 1.00 0.00 O ATOM 1061 OE2 GLU A 70 9.561 -12.662 7.985 1.00 0.00 O ATOM 0 H GLU A 70 4.737 -15.216 8.521 1.00 0.00 H new ATOM 0 HA GLU A 70 5.551 -13.931 11.020 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.390 -14.705 9.771 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.678 -14.240 8.238 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.214 -11.964 8.526 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.407 -12.124 10.261 1.00 0.00 H new ATOM 1068 N GLY A 71 4.219 -12.356 8.450 1.00 0.00 N ATOM 1069 CA GLY A 71 3.587 -11.109 8.060 1.00 0.00 C ATOM 1070 C GLY A 71 4.087 -10.599 6.723 1.00 0.00 C ATOM 1071 O GLY A 71 4.653 -9.508 6.641 1.00 0.00 O ATOM 0 H GLY A 71 4.177 -13.095 7.748 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.508 -11.252 8.010 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.773 -10.356 8.825 1.00 0.00 H new ATOM 1075 N ILE A 72 3.879 -11.388 5.675 1.00 0.00 N ATOM 1076 CA ILE A 72 4.313 -11.009 4.336 1.00 0.00 C ATOM 1077 C ILE A 72 3.144 -11.011 3.357 1.00 0.00 C ATOM 1078 O ILE A 72 2.300 -11.907 3.383 1.00 0.00 O ATOM 1079 CB ILE A 72 5.409 -11.955 3.811 1.00 0.00 C ATOM 1080 CG1 ILE A 72 6.477 -12.179 4.883 1.00 0.00 C ATOM 1081 CG2 ILE A 72 6.033 -11.391 2.543 1.00 0.00 C ATOM 1082 CD1 ILE A 72 6.089 -13.214 5.916 1.00 0.00 C ATOM 0 H ILE A 72 3.413 -12.294 5.727 1.00 0.00 H new ATOM 0 HA ILE A 72 4.719 -10.000 4.410 1.00 0.00 H new ATOM 0 HB ILE A 72 4.954 -12.916 3.572 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.404 -12.488 4.401 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.679 -11.233 5.386 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.806 -12.071 2.184 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.265 -11.279 1.778 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.476 -10.419 2.757 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.893 -13.321 6.644 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.179 -12.897 6.425 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.915 -14.171 5.425 1.00 0.00 H new ATOM 1094 N PHE A 73 3.101 -10.002 2.494 1.00 0.00 N ATOM 1095 CA PHE A 73 2.035 -9.887 1.505 1.00 0.00 C ATOM 1096 C PHE A 73 2.601 -9.523 0.135 1.00 0.00 C ATOM 1097 O PHE A 73 3.808 -9.345 -0.021 1.00 0.00 O ATOM 1098 CB PHE A 73 1.014 -8.835 1.944 1.00 0.00 C ATOM 1099 CG PHE A 73 1.636 -7.528 2.347 1.00 0.00 C ATOM 1100 CD1 PHE A 73 2.276 -7.398 3.569 1.00 0.00 C ATOM 1101 CD2 PHE A 73 1.582 -6.430 1.503 1.00 0.00 C ATOM 1102 CE1 PHE A 73 2.848 -6.196 3.942 1.00 0.00 C ATOM 1103 CE2 PHE A 73 2.152 -5.226 1.871 1.00 0.00 C ATOM 1104 CZ PHE A 73 2.787 -5.110 3.092 1.00 0.00 C ATOM 0 H PHE A 73 3.792 -9.252 2.459 1.00 0.00 H new ATOM 0 HA PHE A 73 1.539 -10.854 1.428 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.313 -8.658 1.129 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.437 -9.227 2.781 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.329 -8.245 4.237 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.089 -6.516 0.546 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.342 -6.107 4.898 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.101 -4.377 1.205 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.235 -4.171 3.381 1.00 0.00 H new ATOM 1114 N GLU A 74 1.718 -9.415 -0.853 1.00 0.00 N ATOM 1115 CA GLU A 74 2.130 -9.074 -2.210 1.00 0.00 C ATOM 1116 C GLU A 74 1.029 -8.306 -2.936 1.00 0.00 C ATOM 1117 O GLU A 74 -0.142 -8.685 -2.888 1.00 0.00 O ATOM 1118 CB GLU A 74 2.485 -10.340 -2.993 1.00 0.00 C ATOM 1119 CG GLU A 74 3.938 -10.759 -2.846 1.00 0.00 C ATOM 1120 CD GLU A 74 4.127 -12.259 -2.960 1.00 0.00 C ATOM 1121 OE1 GLU A 74 3.190 -13.003 -2.600 1.00 0.00 O ATOM 1122 OE2 GLU A 74 5.210 -12.689 -3.408 1.00 0.00 O ATOM 0 H GLU A 74 0.715 -9.558 -0.740 1.00 0.00 H new ATOM 0 HA GLU A 74 3.012 -8.437 -2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.845 -11.156 -2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.268 -10.177 -4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.535 -10.262 -3.611 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.314 -10.422 -1.880 1.00 0.00 H new ATOM 1129 N ILE A 75 1.413 -7.225 -3.606 1.00 0.00 N ATOM 1130 CA ILE A 75 0.460 -6.404 -4.342 1.00 0.00 C ATOM 1131 C ILE A 75 0.584 -6.631 -5.845 1.00 0.00 C ATOM 1132 O ILE A 75 1.491 -6.105 -6.491 1.00 0.00 O ATOM 1133 CB ILE A 75 0.658 -4.906 -4.042 1.00 0.00 C ATOM 1134 CG1 ILE A 75 0.851 -4.686 -2.540 1.00 0.00 C ATOM 1135 CG2 ILE A 75 -0.529 -4.103 -4.552 1.00 0.00 C ATOM 1136 CD1 ILE A 75 0.977 -3.228 -2.155 1.00 0.00 C ATOM 0 H ILE A 75 2.378 -6.897 -3.654 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.535 -6.704 -4.013 1.00 0.00 H new ATOM 0 HB ILE A 75 1.554 -4.562 -4.559 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.008 -5.123 -2.005 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.745 -5.218 -2.215 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.375 -3.046 -4.333 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.625 -4.240 -5.629 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.439 -4.446 -4.060 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.111 -3.147 -1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.837 -2.791 -2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.073 -2.695 -2.449 1.00 0.00 H new ATOM 1148 N LYS A 76 -0.335 -7.416 -6.397 1.00 0.00 N ATOM 1149 CA LYS A 76 -0.331 -7.711 -7.825 1.00 0.00 C ATOM 1150 C LYS A 76 -0.978 -6.578 -8.616 1.00 0.00 C ATOM 1151 O LYS A 76 -2.160 -6.280 -8.440 1.00 0.00 O ATOM 1152 CB LYS A 76 -1.069 -9.024 -8.097 1.00 0.00 C ATOM 1153 CG LYS A 76 -0.165 -10.244 -8.085 1.00 0.00 C ATOM 1154 CD LYS A 76 0.165 -10.680 -6.667 1.00 0.00 C ATOM 1155 CE LYS A 76 -0.843 -11.693 -6.147 1.00 0.00 C ATOM 1156 NZ LYS A 76 -0.886 -12.917 -6.994 1.00 0.00 N ATOM 0 H LYS A 76 -1.092 -7.859 -5.877 1.00 0.00 H new ATOM 0 HA LYS A 76 0.705 -7.810 -8.148 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.850 -9.154 -7.348 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.564 -8.959 -9.066 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.651 -11.063 -8.615 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.757 -10.020 -8.622 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.165 -11.114 -6.642 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.179 -9.809 -6.011 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.587 -11.968 -5.124 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.833 -11.238 -6.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.160 -13.733 -6.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.581 -12.787 -7.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.053 -13.087 -7.407 1.00 0.00 H new ATOM 1170 N THR A 77 -0.197 -5.950 -9.489 1.00 0.00 N ATOM 1171 CA THR A 77 -0.693 -4.851 -10.307 1.00 0.00 C ATOM 1172 C THR A 77 -0.356 -5.065 -11.778 1.00 0.00 C ATOM 1173 O THR A 77 0.607 -5.747 -12.126 1.00 0.00 O ATOM 1174 CB THR A 77 -0.110 -3.502 -9.849 1.00 0.00 C ATOM 1175 OG1 THR A 77 1.316 -3.594 -9.746 1.00 0.00 O ATOM 1176 CG2 THR A 77 -0.694 -3.087 -8.507 1.00 0.00 C ATOM 0 H THR A 77 0.783 -6.184 -9.648 1.00 0.00 H new ATOM 0 HA THR A 77 -1.776 -4.830 -10.185 1.00 0.00 H new ATOM 0 HB THR A 77 -0.373 -2.748 -10.591 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.553 -4.196 -9.010 1.00 0.00 H new ATOM 0 HG21 THR A 77 -0.267 -2.131 -8.204 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.776 -2.989 -8.596 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.458 -3.843 -7.758 1.00 0.00 H new ATOM 1184 N PRO A 78 -1.166 -4.467 -12.664 1.00 0.00 N ATOM 1185 CA PRO A 78 -0.973 -4.577 -14.113 1.00 0.00 C ATOM 1186 C PRO A 78 0.265 -3.826 -14.591 1.00 0.00 C ATOM 1187 O PRO A 78 0.543 -3.766 -15.789 1.00 0.00 O ATOM 1188 CB PRO A 78 -2.240 -3.941 -14.690 1.00 0.00 C ATOM 1189 CG PRO A 78 -2.709 -3.004 -13.631 1.00 0.00 C ATOM 1190 CD PRO A 78 -2.334 -3.639 -12.320 1.00 0.00 C ATOM 0 HA PRO A 78 -0.818 -5.610 -14.426 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.030 -3.414 -15.621 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.995 -4.695 -14.914 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.240 -2.026 -13.739 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.786 -2.849 -13.696 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.088 -2.891 -11.567 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.149 -4.241 -11.917 1.00 0.00 H new ATOM 1198 N SER A 79 1.006 -3.254 -13.647 1.00 0.00 N ATOM 1199 CA SER A 79 2.213 -2.504 -13.972 1.00 0.00 C ATOM 1200 C SER A 79 3.459 -3.244 -13.495 1.00 0.00 C ATOM 1201 O SER A 79 4.391 -3.475 -14.265 1.00 0.00 O ATOM 1202 CB SER A 79 2.160 -1.112 -13.339 1.00 0.00 C ATOM 1203 OG SER A 79 1.356 -0.233 -14.107 1.00 0.00 O ATOM 0 H SER A 79 0.791 -3.296 -12.651 1.00 0.00 H new ATOM 0 HA SER A 79 2.265 -2.401 -15.056 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.761 -1.184 -12.327 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.169 -0.708 -13.256 1.00 0.00 H new ATOM 0 HG SER A 79 1.337 0.649 -13.681 1.00 0.00 H new ATOM 1209 N ARG A 80 3.467 -3.614 -12.218 1.00 0.00 N ATOM 1210 CA ARG A 80 4.597 -4.327 -11.636 1.00 0.00 C ATOM 1211 C ARG A 80 4.216 -4.950 -10.296 1.00 0.00 C ATOM 1212 O ARG A 80 3.637 -4.288 -9.434 1.00 0.00 O ATOM 1213 CB ARG A 80 5.785 -3.381 -11.451 1.00 0.00 C ATOM 1214 CG ARG A 80 5.528 -2.271 -10.445 1.00 0.00 C ATOM 1215 CD ARG A 80 6.724 -1.340 -10.325 1.00 0.00 C ATOM 1216 NE ARG A 80 6.668 -0.248 -11.293 1.00 0.00 N ATOM 1217 CZ ARG A 80 7.720 0.487 -11.634 1.00 0.00 C ATOM 1218 NH1 ARG A 80 8.905 0.248 -11.088 1.00 0.00 N ATOM 1219 NH2 ARG A 80 7.589 1.463 -12.523 1.00 0.00 N ATOM 0 H ARG A 80 2.703 -3.431 -11.567 1.00 0.00 H new ATOM 0 HA ARG A 80 4.881 -5.126 -12.321 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.652 -3.958 -11.129 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.038 -2.936 -12.413 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.650 -1.700 -10.748 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.305 -2.706 -9.471 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.763 -0.928 -9.316 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.642 -1.909 -10.473 1.00 0.00 H new ATOM 0 HE ARG A 80 5.771 -0.038 -11.731 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.010 -0.502 -10.405 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.712 0.814 -11.352 1.00 0.00 H new ATOM 0 HH21 ARG A 80 6.679 1.649 -12.945 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.398 2.027 -12.784 1.00 0.00 H new ATOM 1233 N VAL A 81 4.544 -6.227 -10.128 1.00 0.00 N ATOM 1234 CA VAL A 81 4.236 -6.939 -8.893 1.00 0.00 C ATOM 1235 C VAL A 81 5.165 -6.507 -7.764 1.00 0.00 C ATOM 1236 O VAL A 81 6.388 -6.567 -7.896 1.00 0.00 O ATOM 1237 CB VAL A 81 4.349 -8.464 -9.082 1.00 0.00 C ATOM 1238 CG1 VAL A 81 3.881 -9.193 -7.832 1.00 0.00 C ATOM 1239 CG2 VAL A 81 3.554 -8.910 -10.299 1.00 0.00 C ATOM 0 H VAL A 81 5.023 -6.790 -10.831 1.00 0.00 H new ATOM 0 HA VAL A 81 3.208 -6.688 -8.630 1.00 0.00 H new ATOM 0 HB VAL A 81 5.396 -8.716 -9.249 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.968 -10.269 -7.984 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.498 -8.895 -6.985 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.841 -8.938 -7.630 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.645 -9.990 -10.417 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.505 -8.647 -10.165 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.941 -8.414 -11.189 1.00 0.00 H new ATOM 1249 N ILE A 82 4.577 -6.074 -6.655 1.00 0.00 N ATOM 1250 CA ILE A 82 5.352 -5.633 -5.502 1.00 0.00 C ATOM 1251 C ILE A 82 5.226 -6.620 -4.345 1.00 0.00 C ATOM 1252 O ILE A 82 4.143 -7.139 -4.072 1.00 0.00 O ATOM 1253 CB ILE A 82 4.907 -4.239 -5.023 1.00 0.00 C ATOM 1254 CG1 ILE A 82 4.994 -3.230 -6.170 1.00 0.00 C ATOM 1255 CG2 ILE A 82 5.758 -3.786 -3.846 1.00 0.00 C ATOM 1256 CD1 ILE A 82 6.412 -2.922 -6.597 1.00 0.00 C ATOM 0 H ILE A 82 3.566 -6.019 -6.530 1.00 0.00 H new ATOM 0 HA ILE A 82 6.393 -5.582 -5.823 1.00 0.00 H new ATOM 0 HB ILE A 82 3.870 -4.298 -4.694 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.441 -3.617 -7.026 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.505 -2.304 -5.867 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.431 -2.799 -3.519 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.650 -4.495 -3.025 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.804 -3.740 -4.150 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.397 -2.200 -7.413 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.963 -2.505 -5.754 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.898 -3.838 -6.932 1.00 0.00 H new ATOM 1268 N THR A 83 6.340 -6.873 -3.667 1.00 0.00 N ATOM 1269 CA THR A 83 6.355 -7.797 -2.539 1.00 0.00 C ATOM 1270 C THR A 83 6.846 -7.108 -1.271 1.00 0.00 C ATOM 1271 O THR A 83 8.051 -6.971 -1.054 1.00 0.00 O ATOM 1272 CB THR A 83 7.248 -9.018 -2.825 1.00 0.00 C ATOM 1273 OG1 THR A 83 6.963 -9.540 -4.128 1.00 0.00 O ATOM 1274 CG2 THR A 83 7.032 -10.103 -1.780 1.00 0.00 C ATOM 0 H THR A 83 7.244 -6.451 -3.879 1.00 0.00 H new ATOM 0 HA THR A 83 5.329 -8.134 -2.392 1.00 0.00 H new ATOM 0 HB THR A 83 8.289 -8.697 -2.783 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.537 -10.315 -4.302 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.673 -10.956 -2.003 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.278 -9.712 -0.793 1.00 0.00 H new ATOM 0 HG23 THR A 83 5.989 -10.420 -1.795 1.00 0.00 H new ATOM 1282 N LEU A 84 5.908 -6.676 -0.436 1.00 0.00 N ATOM 1283 CA LEU A 84 6.246 -6.002 0.813 1.00 0.00 C ATOM 1284 C LEU A 84 5.785 -6.819 2.015 1.00 0.00 C ATOM 1285 O LEU A 84 4.758 -7.496 1.963 1.00 0.00 O ATOM 1286 CB LEU A 84 5.609 -4.612 0.853 1.00 0.00 C ATOM 1287 CG LEU A 84 5.665 -3.810 -0.448 1.00 0.00 C ATOM 1288 CD1 LEU A 84 4.860 -2.526 -0.319 1.00 0.00 C ATOM 1289 CD2 LEU A 84 7.108 -3.501 -0.822 1.00 0.00 C ATOM 0 H LEU A 84 4.907 -6.780 -0.601 1.00 0.00 H new ATOM 0 HA LEU A 84 7.330 -5.900 0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.564 -4.721 1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.099 -4.032 1.635 1.00 0.00 H new ATOM 0 HG LEU A 84 5.225 -4.412 -1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.912 -1.969 -1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.821 -2.769 -0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.270 -1.919 0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.129 -2.930 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.573 -2.918 -0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.656 -4.433 -0.957 1.00 0.00 H new ATOM 1301 N LYS A 85 6.551 -6.751 3.099 1.00 0.00 N ATOM 1302 CA LYS A 85 6.221 -7.481 4.317 1.00 0.00 C ATOM 1303 C LYS A 85 5.991 -6.523 5.481 1.00 0.00 C ATOM 1304 O LYS A 85 6.654 -5.491 5.588 1.00 0.00 O ATOM 1305 CB LYS A 85 7.341 -8.465 4.666 1.00 0.00 C ATOM 1306 CG LYS A 85 8.516 -7.820 5.379 1.00 0.00 C ATOM 1307 CD LYS A 85 9.654 -8.806 5.583 1.00 0.00 C ATOM 1308 CE LYS A 85 10.453 -8.484 6.837 1.00 0.00 C ATOM 1309 NZ LYS A 85 11.578 -7.550 6.553 1.00 0.00 N ATOM 0 H LYS A 85 7.405 -6.197 3.158 1.00 0.00 H new ATOM 0 HA LYS A 85 5.300 -8.036 4.139 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.935 -9.257 5.296 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.697 -8.937 3.750 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.871 -6.968 4.799 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.190 -7.435 6.345 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.252 -9.817 5.656 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.313 -8.787 4.715 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.794 -8.042 7.584 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.846 -9.407 7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.351 -7.723 7.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.922 -7.706 5.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.247 -6.569 6.649 1.00 0.00 H new ATOM 1323 N ALA A 86 5.050 -6.871 6.351 1.00 0.00 N ATOM 1324 CA ALA A 86 4.736 -6.043 7.509 1.00 0.00 C ATOM 1325 C ALA A 86 5.505 -6.508 8.741 1.00 0.00 C ATOM 1326 O ALA A 86 6.335 -7.413 8.661 1.00 0.00 O ATOM 1327 CB ALA A 86 3.239 -6.062 7.781 1.00 0.00 C ATOM 0 H ALA A 86 4.491 -7.721 6.276 1.00 0.00 H new ATOM 0 HA ALA A 86 5.041 -5.020 7.287 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.019 -5.440 8.648 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.706 -5.675 6.912 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.918 -7.085 7.978 1.00 0.00 H new ATOM 1333 N ALA A 87 5.224 -5.882 9.879 1.00 0.00 N ATOM 1334 CA ALA A 87 5.889 -6.232 11.128 1.00 0.00 C ATOM 1335 C ALA A 87 5.532 -7.650 11.561 1.00 0.00 C ATOM 1336 O ALA A 87 6.375 -8.548 11.538 1.00 0.00 O ATOM 1337 CB ALA A 87 5.521 -5.237 12.219 1.00 0.00 C ATOM 0 H ALA A 87 4.540 -5.130 9.962 1.00 0.00 H new ATOM 0 HA ALA A 87 6.965 -6.191 10.962 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.025 -5.511 13.146 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.832 -4.236 11.919 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.442 -5.250 12.375 1.00 0.00 H new ATOM 1343 N THR A 88 4.278 -7.846 11.955 1.00 0.00 N ATOM 1344 CA THR A 88 3.810 -9.154 12.395 1.00 0.00 C ATOM 1345 C THR A 88 2.638 -9.633 11.546 1.00 0.00 C ATOM 1346 O THR A 88 2.258 -8.984 10.572 1.00 0.00 O ATOM 1347 CB THR A 88 3.382 -9.130 13.874 1.00 0.00 C ATOM 1348 OG1 THR A 88 2.274 -8.240 14.049 1.00 0.00 O ATOM 1349 CG2 THR A 88 4.535 -8.693 14.765 1.00 0.00 C ATOM 0 H THR A 88 3.568 -7.115 11.978 1.00 0.00 H new ATOM 0 HA THR A 88 4.646 -9.844 12.278 1.00 0.00 H new ATOM 0 HB THR A 88 3.086 -10.139 14.159 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.007 -8.232 14.992 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.208 -8.684 15.805 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.366 -9.389 14.652 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.858 -7.692 14.477 1.00 0.00 H new ATOM 1357 N LYS A 89 2.068 -10.773 11.922 1.00 0.00 N ATOM 1358 CA LYS A 89 0.936 -11.339 11.197 1.00 0.00 C ATOM 1359 C LYS A 89 -0.260 -10.392 11.231 1.00 0.00 C ATOM 1360 O LYS A 89 -0.940 -10.203 10.223 1.00 0.00 O ATOM 1361 CB LYS A 89 0.546 -12.692 11.795 1.00 0.00 C ATOM 1362 CG LYS A 89 -0.752 -13.251 11.240 1.00 0.00 C ATOM 1363 CD LYS A 89 -0.509 -14.108 10.009 1.00 0.00 C ATOM 1364 CE LYS A 89 -1.813 -14.626 9.423 1.00 0.00 C ATOM 1365 NZ LYS A 89 -2.656 -13.524 8.883 1.00 0.00 N ATOM 0 H LYS A 89 2.372 -11.324 12.725 1.00 0.00 H new ATOM 0 HA LYS A 89 1.236 -11.481 10.159 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.348 -13.406 11.610 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.454 -12.589 12.876 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -1.250 -13.846 12.006 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.424 -12.431 10.987 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.022 -13.524 9.257 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.133 -14.949 10.271 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.596 -15.340 8.628 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.368 -15.164 10.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -3.555 -13.486 9.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -2.155 -12.619 8.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -2.848 -13.696 7.875 1.00 0.00 H new ATOM 1379 N GLN A 90 -0.508 -9.800 12.395 1.00 0.00 N ATOM 1380 CA GLN A 90 -1.621 -8.873 12.557 1.00 0.00 C ATOM 1381 C GLN A 90 -1.325 -7.541 11.876 1.00 0.00 C ATOM 1382 O GLN A 90 -2.238 -6.786 11.545 1.00 0.00 O ATOM 1383 CB GLN A 90 -1.911 -8.647 14.042 1.00 0.00 C ATOM 1384 CG GLN A 90 -2.728 -9.759 14.679 1.00 0.00 C ATOM 1385 CD GLN A 90 -2.530 -9.842 16.180 1.00 0.00 C ATOM 1386 OE1 GLN A 90 -2.817 -8.892 16.909 1.00 0.00 O ATOM 1387 NE2 GLN A 90 -2.038 -10.982 16.650 1.00 0.00 N ATOM 0 H GLN A 90 0.046 -9.946 13.239 1.00 0.00 H new ATOM 0 HA GLN A 90 -2.499 -9.313 12.085 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.966 -8.549 14.577 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.443 -7.703 14.160 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.784 -9.597 14.464 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -2.453 -10.712 14.227 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.814 -11.743 16.009 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.884 -11.096 17.652 1.00 0.00 H new ATOM 1396 N ALA A 91 -0.043 -7.261 11.669 1.00 0.00 N ATOM 1397 CA ALA A 91 0.374 -6.021 11.025 1.00 0.00 C ATOM 1398 C ALA A 91 -0.141 -5.947 9.592 1.00 0.00 C ATOM 1399 O ALA A 91 -0.946 -5.078 9.256 1.00 0.00 O ATOM 1400 CB ALA A 91 1.890 -5.897 11.050 1.00 0.00 C ATOM 0 H ALA A 91 0.725 -7.876 11.938 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.057 -5.189 11.582 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.187 -4.967 10.566 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.238 -5.896 12.083 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.333 -6.740 10.519 1.00 0.00 H new ATOM 1406 N MET A 92 0.329 -6.862 8.751 1.00 0.00 N ATOM 1407 CA MET A 92 -0.086 -6.900 7.353 1.00 0.00 C ATOM 1408 C MET A 92 -1.607 -6.915 7.237 1.00 0.00 C ATOM 1409 O MET A 92 -2.189 -6.143 6.475 1.00 0.00 O ATOM 1410 CB MET A 92 0.503 -8.128 6.657 1.00 0.00 C ATOM 1411 CG MET A 92 0.249 -9.429 7.402 1.00 0.00 C ATOM 1412 SD MET A 92 -1.280 -10.236 6.889 1.00 0.00 S ATOM 1413 CE MET A 92 -0.734 -11.936 6.746 1.00 0.00 C ATOM 0 H MET A 92 0.997 -7.587 9.013 1.00 0.00 H new ATOM 0 HA MET A 92 0.288 -6.000 6.864 1.00 0.00 H new ATOM 0 HB2 MET A 92 0.081 -8.205 5.655 1.00 0.00 H new ATOM 0 HB3 MET A 92 1.578 -7.989 6.541 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.086 -10.107 7.237 1.00 0.00 H new ATOM 0 HG3 MET A 92 0.208 -9.228 8.473 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.595 -12.582 6.575 1.00 0.00 H new ATOM 0 HE2 MET A 92 -0.041 -12.026 5.910 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.233 -12.236 7.666 1.00 0.00 H new ATOM 1423 N LEU A 93 -2.244 -7.799 7.998 1.00 0.00 N ATOM 1424 CA LEU A 93 -3.698 -7.915 7.980 1.00 0.00 C ATOM 1425 C LEU A 93 -4.355 -6.538 7.976 1.00 0.00 C ATOM 1426 O LEU A 93 -5.392 -6.335 7.344 1.00 0.00 O ATOM 1427 CB LEU A 93 -4.180 -8.719 9.189 1.00 0.00 C ATOM 1428 CG LEU A 93 -3.985 -10.233 9.109 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -4.606 -10.916 10.318 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -4.582 -10.780 7.821 1.00 0.00 C ATOM 0 H LEU A 93 -1.777 -8.445 8.634 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.985 -8.436 7.067 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.661 -8.352 10.074 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.241 -8.517 9.335 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.915 -10.443 9.108 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.457 -11.993 10.244 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.133 -10.546 11.228 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.674 -10.698 10.350 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.434 -11.859 7.781 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.649 -10.559 7.792 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.091 -10.315 6.966 1.00 0.00 H new ATOM 1442 N TYR A 94 -3.743 -5.595 8.683 1.00 0.00 N ATOM 1443 CA TYR A 94 -4.268 -4.237 8.761 1.00 0.00 C ATOM 1444 C TYR A 94 -4.071 -3.500 7.440 1.00 0.00 C ATOM 1445 O TYR A 94 -4.940 -2.745 7.003 1.00 0.00 O ATOM 1446 CB TYR A 94 -3.584 -3.468 9.893 1.00 0.00 C ATOM 1447 CG TYR A 94 -3.774 -1.970 9.809 1.00 0.00 C ATOM 1448 CD1 TYR A 94 -5.029 -1.398 9.983 1.00 0.00 C ATOM 1449 CD2 TYR A 94 -2.699 -1.127 9.556 1.00 0.00 C ATOM 1450 CE1 TYR A 94 -5.207 -0.031 9.906 1.00 0.00 C ATOM 1451 CE2 TYR A 94 -2.868 0.242 9.479 1.00 0.00 C ATOM 1452 CZ TYR A 94 -4.124 0.785 9.654 1.00 0.00 C ATOM 1453 OH TYR A 94 -4.297 2.148 9.578 1.00 0.00 O ATOM 0 H TYR A 94 -2.883 -5.746 9.210 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.337 -4.299 8.966 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.972 -3.822 10.848 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.517 -3.692 9.880 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.879 -2.034 10.182 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.715 -1.549 9.417 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.189 0.397 10.042 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -2.022 0.883 9.283 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.435 2.577 9.396 1.00 0.00 H new ATOM 1463 N TRP A 95 -2.925 -3.726 6.809 1.00 0.00 N ATOM 1464 CA TRP A 95 -2.613 -3.085 5.537 1.00 0.00 C ATOM 1465 C TRP A 95 -3.505 -3.622 4.423 1.00 0.00 C ATOM 1466 O TRP A 95 -4.099 -2.855 3.665 1.00 0.00 O ATOM 1467 CB TRP A 95 -1.142 -3.303 5.179 1.00 0.00 C ATOM 1468 CG TRP A 95 -0.237 -2.231 5.706 1.00 0.00 C ATOM 1469 CD1 TRP A 95 0.422 -2.229 6.902 1.00 0.00 C ATOM 1470 CD2 TRP A 95 0.106 -1.002 5.055 1.00 0.00 C ATOM 1471 NE1 TRP A 95 1.154 -1.074 7.034 1.00 0.00 N ATOM 1472 CE2 TRP A 95 0.978 -0.305 5.914 1.00 0.00 C ATOM 1473 CE3 TRP A 95 -0.237 -0.425 3.830 1.00 0.00 C ATOM 1474 CZ2 TRP A 95 1.509 0.939 5.585 1.00 0.00 C ATOM 1475 CZ3 TRP A 95 0.291 0.810 3.505 1.00 0.00 C ATOM 1476 CH2 TRP A 95 1.157 1.481 4.379 1.00 0.00 C ATOM 0 H TRP A 95 -2.196 -4.349 7.157 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.799 -2.016 5.643 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.819 -4.267 5.572 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.043 -3.352 4.095 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.375 -3.019 7.636 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.735 -0.829 7.836 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.903 -0.935 3.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.175 1.458 6.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.032 1.266 2.561 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.554 2.444 4.095 1.00 0.00 H new ATOM 1487 N LEU A 96 -3.596 -4.944 4.330 1.00 0.00 N ATOM 1488 CA LEU A 96 -4.417 -5.585 3.308 1.00 0.00 C ATOM 1489 C LEU A 96 -5.881 -5.183 3.455 1.00 0.00 C ATOM 1490 O LEU A 96 -6.550 -4.872 2.470 1.00 0.00 O ATOM 1491 CB LEU A 96 -4.282 -7.106 3.398 1.00 0.00 C ATOM 1492 CG LEU A 96 -2.864 -7.644 3.591 1.00 0.00 C ATOM 1493 CD1 LEU A 96 -2.879 -9.162 3.695 1.00 0.00 C ATOM 1494 CD2 LEU A 96 -1.963 -7.194 2.451 1.00 0.00 C ATOM 0 H LEU A 96 -3.111 -5.593 4.950 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.064 -5.252 2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.898 -7.457 4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.694 -7.542 2.488 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.466 -7.240 4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.861 -9.527 3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.490 -9.462 4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.296 -9.585 2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.958 -7.586 2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.357 -7.568 1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.927 -6.105 2.424 1.00 0.00 H new ATOM 1506 N GLN A 97 -6.370 -5.190 4.691 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.755 -4.824 4.966 1.00 0.00 C ATOM 1508 C GLN A 97 -8.002 -3.352 4.651 1.00 0.00 C ATOM 1509 O GLN A 97 -8.910 -3.015 3.892 1.00 0.00 O ATOM 1510 CB GLN A 97 -8.099 -5.110 6.428 1.00 0.00 C ATOM 1511 CG GLN A 97 -9.513 -4.704 6.811 1.00 0.00 C ATOM 1512 CD GLN A 97 -10.519 -5.818 6.593 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -10.203 -6.846 5.994 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -11.738 -5.617 7.078 1.00 0.00 N ATOM 0 H GLN A 97 -5.829 -5.445 5.517 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.398 -5.426 4.324 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.971 -6.175 6.621 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.392 -4.583 7.069 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.530 -4.404 7.859 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.808 -3.833 6.226 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.955 -4.749 7.568 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.458 -6.330 6.961 1.00 0.00 H new ATOM 1523 N GLN A 98 -7.188 -2.482 5.240 1.00 0.00 N ATOM 1524 CA GLN A 98 -7.320 -1.046 5.023 1.00 0.00 C ATOM 1525 C GLN A 98 -7.110 -0.696 3.553 1.00 0.00 C ATOM 1526 O GLN A 98 -7.991 -0.129 2.907 1.00 0.00 O ATOM 1527 CB GLN A 98 -6.317 -0.283 5.890 1.00 0.00 C ATOM 1528 CG GLN A 98 -6.807 -0.028 7.306 1.00 0.00 C ATOM 1529 CD GLN A 98 -8.260 0.400 7.353 1.00 0.00 C ATOM 1530 OE1 GLN A 98 -9.163 -0.573 7.400 1.00 0.00 O flip ATOM 1531 NE2 GLN A 98 -8.568 1.592 7.346 1.00 0.00 N flip ATOM 0 H GLN A 98 -6.431 -2.746 5.870 1.00 0.00 H new ATOM 0 HA GLN A 98 -8.331 -0.753 5.307 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.385 -0.846 5.933 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.091 0.672 5.415 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.680 -0.934 7.899 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.190 0.744 7.766 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -7.841 2.306 7.309 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -9.550 1.865 7.377 1.00 0.00 H new ATOM 1540 N LEU A 99 -5.937 -1.037 3.032 1.00 0.00 N ATOM 1541 CA LEU A 99 -5.609 -0.759 1.637 1.00 0.00 C ATOM 1542 C LEU A 99 -6.812 -1.016 0.734 1.00 0.00 C ATOM 1543 O LEU A 99 -7.105 -0.226 -0.163 1.00 0.00 O ATOM 1544 CB LEU A 99 -4.427 -1.619 1.189 1.00 0.00 C ATOM 1545 CG LEU A 99 -3.051 -1.185 1.695 1.00 0.00 C ATOM 1546 CD1 LEU A 99 -2.018 -2.269 1.430 1.00 0.00 C ATOM 1547 CD2 LEU A 99 -2.631 0.124 1.043 1.00 0.00 C ATOM 0 H LEU A 99 -5.197 -1.506 3.554 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.335 0.293 1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.605 -2.644 1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.404 -1.630 0.099 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.115 -1.028 2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.045 -1.942 1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.311 -3.184 1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.956 -2.459 0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.649 0.417 1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.585 -0.006 -0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.357 0.900 1.284 1.00 0.00 H new ATOM 1559 N GLN A 100 -7.503 -2.124 0.980 1.00 0.00 N ATOM 1560 CA GLN A 100 -8.674 -2.484 0.189 1.00 0.00 C ATOM 1561 C GLN A 100 -9.753 -1.411 0.295 1.00 0.00 C ATOM 1562 O GLN A 100 -10.269 -0.933 -0.715 1.00 0.00 O ATOM 1563 CB GLN A 100 -9.232 -3.832 0.649 1.00 0.00 C ATOM 1564 CG GLN A 100 -8.611 -5.022 -0.065 1.00 0.00 C ATOM 1565 CD GLN A 100 -9.442 -6.283 0.071 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -10.076 -6.728 -0.886 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -9.444 -6.865 1.265 1.00 0.00 N ATOM 0 H GLN A 100 -7.273 -2.787 1.720 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.367 -2.563 -0.854 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.069 -3.937 1.722 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.310 -3.844 0.488 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.489 -4.784 -1.122 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.614 -5.203 0.338 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.904 -6.461 2.030 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.986 -7.716 1.417 1.00 0.00 H new ATOM 1576 N MET A 101 -10.090 -1.038 1.526 1.00 0.00 N ATOM 1577 CA MET A 101 -11.108 -0.021 1.763 1.00 0.00 C ATOM 1578 C MET A 101 -10.970 1.129 0.770 1.00 0.00 C ATOM 1579 O MET A 101 -11.954 1.573 0.179 1.00 0.00 O ATOM 1580 CB MET A 101 -11.004 0.511 3.194 1.00 0.00 C ATOM 1581 CG MET A 101 -11.482 -0.477 4.246 1.00 0.00 C ATOM 1582 SD MET A 101 -13.160 -1.061 3.938 1.00 0.00 S ATOM 1583 CE MET A 101 -12.858 -2.792 3.595 1.00 0.00 C ATOM 0 H MET A 101 -9.674 -1.424 2.373 1.00 0.00 H new ATOM 0 HA MET A 101 -12.086 -0.482 1.624 1.00 0.00 H new ATOM 0 HB2 MET A 101 -9.967 0.775 3.400 1.00 0.00 H new ATOM 0 HB3 MET A 101 -11.589 1.427 3.276 1.00 0.00 H new ATOM 0 HG2 MET A 101 -10.804 -1.330 4.273 1.00 0.00 H new ATOM 0 HG3 MET A 101 -11.440 -0.005 5.228 1.00 0.00 H new ATOM 0 HE1 MET A 101 -13.804 -3.292 3.384 1.00 0.00 H new ATOM 0 HE2 MET A 101 -12.200 -2.882 2.731 1.00 0.00 H new ATOM 0 HE3 MET A 101 -12.387 -3.258 4.461 1.00 0.00 H new ATOM 1593 N LYS A 102 -9.743 1.606 0.591 1.00 0.00 N ATOM 1594 CA LYS A 102 -9.476 2.703 -0.331 1.00 0.00 C ATOM 1595 C LYS A 102 -9.956 2.361 -1.738 1.00 0.00 C ATOM 1596 O LYS A 102 -10.728 3.107 -2.340 1.00 0.00 O ATOM 1597 CB LYS A 102 -7.980 3.024 -0.355 1.00 0.00 C ATOM 1598 CG LYS A 102 -7.390 3.278 1.021 1.00 0.00 C ATOM 1599 CD LYS A 102 -7.954 4.544 1.644 1.00 0.00 C ATOM 1600 CE LYS A 102 -7.486 4.714 3.082 1.00 0.00 C ATOM 1601 NZ LYS A 102 -6.005 4.840 3.172 1.00 0.00 N ATOM 0 H LYS A 102 -8.917 1.250 1.073 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.024 3.579 0.018 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.447 2.196 -0.822 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.815 3.902 -0.979 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.599 2.428 1.670 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.306 3.361 0.943 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.647 5.409 1.056 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.043 4.510 1.616 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -7.953 5.599 3.514 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -7.814 3.860 3.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.748 5.266 4.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -5.571 3.898 3.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.660 5.444 2.399 1.00 0.00 H new ATOM 1615 N ARG A 103 -9.494 1.227 -2.256 1.00 0.00 N ATOM 1616 CA ARG A 103 -9.877 0.786 -3.592 1.00 0.00 C ATOM 1617 C ARG A 103 -11.342 0.361 -3.625 1.00 0.00 C ATOM 1618 O ARG A 103 -12.161 0.976 -4.308 1.00 0.00 O ATOM 1619 CB ARG A 103 -8.988 -0.375 -4.043 1.00 0.00 C ATOM 1620 CG ARG A 103 -9.470 -1.052 -5.315 1.00 0.00 C ATOM 1621 CD ARG A 103 -8.940 -2.473 -5.425 1.00 0.00 C ATOM 1622 NE ARG A 103 -9.856 -3.344 -6.157 1.00 0.00 N ATOM 1623 CZ ARG A 103 -9.805 -4.670 -6.109 1.00 0.00 C ATOM 1624 NH1 ARG A 103 -8.889 -5.276 -5.366 1.00 0.00 N ATOM 1625 NH2 ARG A 103 -10.674 -5.395 -6.803 1.00 0.00 N ATOM 0 H ARG A 103 -8.854 0.598 -1.771 1.00 0.00 H new ATOM 0 HA ARG A 103 -9.744 1.624 -4.276 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -7.974 -0.006 -4.200 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -8.938 -1.115 -3.244 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.560 -1.067 -5.330 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.147 -0.474 -6.181 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -7.972 -2.461 -5.927 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -8.776 -2.877 -4.426 1.00 0.00 H new ATOM 0 HE ARG A 103 -10.574 -2.910 -6.737 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -8.221 -4.723 -4.829 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -8.853 -6.295 -5.331 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -11.382 -4.934 -7.374 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -10.634 -6.413 -6.765 1.00 0.00 H new ATOM 1639 N TRP A 104 -11.664 -0.694 -2.885 1.00 0.00 N ATOM 1640 CA TRP A 104 -13.030 -1.201 -2.830 1.00 0.00 C ATOM 1641 C TRP A 104 -14.033 -0.056 -2.750 1.00 0.00 C ATOM 1642 O TRP A 104 -15.072 -0.082 -3.408 1.00 0.00 O ATOM 1643 CB TRP A 104 -13.203 -2.132 -1.629 1.00 0.00 C ATOM 1644 CG TRP A 104 -14.622 -2.241 -1.161 1.00 0.00 C ATOM 1645 CD1 TRP A 104 -15.572 -3.109 -1.619 1.00 0.00 C ATOM 1646 CD2 TRP A 104 -15.252 -1.453 -0.145 1.00 0.00 C ATOM 1647 NE1 TRP A 104 -16.755 -2.908 -0.949 1.00 0.00 N ATOM 1648 CE2 TRP A 104 -16.584 -1.898 -0.039 1.00 0.00 C ATOM 1649 CE3 TRP A 104 -14.820 -0.417 0.687 1.00 0.00 C ATOM 1650 CZ2 TRP A 104 -17.485 -1.341 0.864 1.00 0.00 C ATOM 1651 CZ3 TRP A 104 -15.716 0.135 1.583 1.00 0.00 C ATOM 1652 CH2 TRP A 104 -17.036 -0.328 1.667 1.00 0.00 C ATOM 0 H TRP A 104 -10.998 -1.215 -2.315 1.00 0.00 H new ATOM 0 HA TRP A 104 -13.220 -1.762 -3.745 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -12.838 -3.125 -1.892 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -12.584 -1.772 -0.807 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -15.416 -3.845 -2.394 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.620 -3.426 -1.104 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -13.804 -0.054 0.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -18.503 -1.696 0.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.393 0.937 2.230 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -17.712 0.123 2.379 1.00 0.00 H new ATOM 1663 N GLU A 105 -13.714 0.949 -1.939 1.00 0.00 N ATOM 1664 CA GLU A 105 -14.590 2.103 -1.773 1.00 0.00 C ATOM 1665 C GLU A 105 -14.984 2.686 -3.127 1.00 0.00 C ATOM 1666 O GLU A 105 -16.159 2.697 -3.492 1.00 0.00 O ATOM 1667 CB GLU A 105 -13.902 3.175 -0.924 1.00 0.00 C ATOM 1668 CG GLU A 105 -14.143 3.016 0.568 1.00 0.00 C ATOM 1669 CD GLU A 105 -15.396 3.730 1.036 1.00 0.00 C ATOM 1670 OE1 GLU A 105 -16.410 3.689 0.308 1.00 0.00 O ATOM 1671 OE2 GLU A 105 -15.362 4.330 2.131 1.00 0.00 O ATOM 0 H GLU A 105 -12.857 0.987 -1.388 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.494 1.771 -1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -12.829 3.145 -1.116 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -14.255 4.157 -1.238 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -14.222 1.956 0.808 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -13.283 3.403 1.114 1.00 0.00 H new ATOM 1678 N PHE A 106 -13.992 3.171 -3.867 1.00 0.00 N ATOM 1679 CA PHE A 106 -14.234 3.757 -5.180 1.00 0.00 C ATOM 1680 C PHE A 106 -15.281 2.957 -5.949 1.00 0.00 C ATOM 1681 O PHE A 106 -16.174 3.525 -6.578 1.00 0.00 O ATOM 1682 CB PHE A 106 -12.932 3.819 -5.982 1.00 0.00 C ATOM 1683 CG PHE A 106 -13.146 3.872 -7.468 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -13.585 5.036 -8.077 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -12.907 2.758 -8.256 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -13.782 5.089 -9.444 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -13.102 2.804 -9.623 1.00 0.00 C ATOM 1688 CZ PHE A 106 -13.541 3.971 -10.218 1.00 0.00 C ATOM 0 H PHE A 106 -13.013 3.170 -3.580 1.00 0.00 H new ATOM 0 HA PHE A 106 -14.612 4.769 -5.034 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -12.366 4.697 -5.673 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -12.324 2.947 -5.741 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -13.776 5.913 -7.476 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -12.564 1.843 -7.796 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -14.124 6.003 -9.906 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -12.911 1.928 -10.226 1.00 0.00 H new ATOM 0 HZ PHE A 106 -13.695 4.009 -11.286 1.00 0.00 H new ATOM 1698 N HIS A 107 -15.163 1.634 -5.894 1.00 0.00 N ATOM 1699 CA HIS A 107 -16.099 0.754 -6.585 1.00 0.00 C ATOM 1700 C HIS A 107 -17.509 0.910 -6.022 1.00 0.00 C ATOM 1701 O HIS A 107 -18.491 0.855 -6.760 1.00 0.00 O ATOM 1702 CB HIS A 107 -15.648 -0.702 -6.463 1.00 0.00 C ATOM 1703 CG HIS A 107 -14.394 -1.005 -7.224 1.00 0.00 C ATOM 1704 ND1 HIS A 107 -14.337 -1.035 -8.601 1.00 0.00 N ATOM 1705 CD2 HIS A 107 -13.143 -1.292 -6.791 1.00 0.00 C ATOM 1706 CE1 HIS A 107 -13.107 -1.329 -8.983 1.00 0.00 C ATOM 1707 NE2 HIS A 107 -12.363 -1.489 -7.903 1.00 0.00 N ATOM 0 H HIS A 107 -14.429 1.148 -5.379 1.00 0.00 H new ATOM 0 HA HIS A 107 -16.114 1.036 -7.638 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -15.491 -0.938 -5.411 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -16.446 -1.352 -6.820 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -15.122 -0.858 -9.227 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -12.820 -1.354 -5.762 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -12.768 -1.423 -10.004 1.00 0.00 H new ATOM 1716 N ASN A 108 -17.599 1.105 -4.710 1.00 0.00 N ATOM 1717 CA ASN A 108 -18.888 1.269 -4.048 1.00 0.00 C ATOM 1718 C ASN A 108 -19.470 2.651 -4.325 1.00 0.00 C ATOM 1719 O ASN A 108 -20.634 2.781 -4.704 1.00 0.00 O ATOM 1720 CB ASN A 108 -18.741 1.057 -2.540 1.00 0.00 C ATOM 1721 CG ASN A 108 -18.589 -0.406 -2.174 1.00 0.00 C ATOM 1722 OD1 ASN A 108 -19.352 -0.938 -1.367 1.00 0.00 O ATOM 1723 ND2 ASN A 108 -17.599 -1.065 -2.766 1.00 0.00 N ATOM 0 H ASN A 108 -16.795 1.153 -4.085 1.00 0.00 H new ATOM 0 HA ASN A 108 -19.572 0.520 -4.448 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -17.873 1.611 -2.181 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -19.614 1.467 -2.031 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -17.447 -2.052 -2.558 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -16.991 -0.584 -3.429 1.00 0.00 H new ATOM 1730 N SER A 109 -18.652 3.681 -4.133 1.00 0.00 N ATOM 1731 CA SER A 109 -19.087 5.055 -4.359 1.00 0.00 C ATOM 1732 C SER A 109 -20.069 5.129 -5.523 1.00 0.00 C ATOM 1733 O SER A 109 -19.832 4.590 -6.605 1.00 0.00 O ATOM 1734 CB SER A 109 -17.881 5.954 -4.636 1.00 0.00 C ATOM 1735 OG SER A 109 -17.389 5.758 -5.951 1.00 0.00 O ATOM 0 H SER A 109 -17.685 3.590 -3.822 1.00 0.00 H new ATOM 0 HA SER A 109 -19.592 5.404 -3.458 1.00 0.00 H new ATOM 0 HB2 SER A 109 -18.164 6.998 -4.502 1.00 0.00 H new ATOM 0 HB3 SER A 109 -17.092 5.742 -3.914 1.00 0.00 H new ATOM 0 HG SER A 109 -16.803 4.972 -5.967 1.00 0.00 H new ATOM 1741 N PRO A 110 -21.200 5.814 -5.299 1.00 0.00 N ATOM 1742 CA PRO A 110 -22.243 5.977 -6.317 1.00 0.00 C ATOM 1743 C PRO A 110 -21.802 6.888 -7.458 1.00 0.00 C ATOM 1744 O PRO A 110 -20.845 7.654 -7.338 1.00 0.00 O ATOM 1745 CB PRO A 110 -23.399 6.613 -5.542 1.00 0.00 C ATOM 1746 CG PRO A 110 -22.750 7.312 -4.398 1.00 0.00 C ATOM 1747 CD PRO A 110 -21.549 6.483 -4.034 1.00 0.00 C ATOM 0 HA PRO A 110 -22.500 5.030 -6.792 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -23.958 7.310 -6.166 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -24.106 5.859 -5.196 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -22.456 8.324 -4.675 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -23.435 7.399 -3.554 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -20.730 7.102 -3.667 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -21.781 5.763 -3.249 1.00 0.00 H new ATOM 1755 N PRO A 111 -22.514 6.806 -8.591 1.00 0.00 N ATOM 1756 CA PRO A 111 -22.215 7.617 -9.775 1.00 0.00 C ATOM 1757 C PRO A 111 -22.537 9.092 -9.563 1.00 0.00 C ATOM 1758 O PRO A 111 -22.946 9.498 -8.476 1.00 0.00 O ATOM 1759 CB PRO A 111 -23.123 7.020 -10.853 1.00 0.00 C ATOM 1760 CG PRO A 111 -24.252 6.406 -10.099 1.00 0.00 C ATOM 1761 CD PRO A 111 -23.667 5.915 -8.804 1.00 0.00 C ATOM 0 HA PRO A 111 -21.155 7.592 -10.030 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -23.477 7.787 -11.542 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -22.594 6.276 -11.449 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -25.043 7.134 -9.919 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -24.697 5.586 -10.662 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -24.385 5.985 -7.987 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -23.361 4.871 -8.872 1.00 0.00 H new ATOM 1769 N ALA A 112 -22.351 9.890 -10.610 1.00 0.00 N ATOM 1770 CA ALA A 112 -22.625 11.320 -10.539 1.00 0.00 C ATOM 1771 C ALA A 112 -23.925 11.593 -9.791 1.00 0.00 C ATOM 1772 O ALA A 112 -24.895 10.842 -9.888 1.00 0.00 O ATOM 1773 CB ALA A 112 -22.684 11.916 -11.938 1.00 0.00 C ATOM 0 H ALA A 112 -22.012 9.570 -11.517 1.00 0.00 H new ATOM 0 HA ALA A 112 -21.813 11.794 -9.988 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -22.889 12.984 -11.870 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -21.729 11.761 -12.440 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -23.476 11.430 -12.507 1.00 0.00 H new ATOM 1779 N PRO A 113 -23.947 12.694 -9.025 1.00 0.00 N ATOM 1780 CA PRO A 113 -25.123 13.092 -8.244 1.00 0.00 C ATOM 1781 C PRO A 113 -26.272 13.564 -9.128 1.00 0.00 C ATOM 1782 O PRO A 113 -26.146 14.551 -9.852 1.00 0.00 O ATOM 1783 CB PRO A 113 -24.603 14.244 -7.382 1.00 0.00 C ATOM 1784 CG PRO A 113 -23.453 14.802 -8.148 1.00 0.00 C ATOM 1785 CD PRO A 113 -22.827 13.636 -8.862 1.00 0.00 C ATOM 0 HA PRO A 113 -25.530 12.261 -7.668 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -25.374 14.997 -7.221 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -24.290 13.893 -6.399 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -23.787 15.560 -8.857 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -22.736 15.282 -7.482 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -22.408 13.932 -9.824 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -22.015 13.198 -8.281 1.00 0.00 H new ATOM 1793 N SER A 114 -27.394 12.854 -9.062 1.00 0.00 N ATOM 1794 CA SER A 114 -28.565 13.199 -9.859 1.00 0.00 C ATOM 1795 C SER A 114 -29.620 13.893 -9.002 1.00 0.00 C ATOM 1796 O SER A 114 -30.800 13.548 -9.049 1.00 0.00 O ATOM 1797 CB SER A 114 -29.159 11.944 -10.501 1.00 0.00 C ATOM 1798 OG SER A 114 -29.601 11.027 -9.516 1.00 0.00 O ATOM 0 H SER A 114 -27.516 12.036 -8.465 1.00 0.00 H new ATOM 0 HA SER A 114 -28.250 13.886 -10.644 1.00 0.00 H new ATOM 0 HB2 SER A 114 -29.994 12.221 -11.145 1.00 0.00 H new ATOM 0 HB3 SER A 114 -28.412 11.468 -11.136 1.00 0.00 H new ATOM 0 HG SER A 114 -29.978 10.235 -9.952 1.00 0.00 H new ATOM 1804 N GLY A 115 -29.184 14.875 -8.218 1.00 0.00 N ATOM 1805 CA GLY A 115 -30.102 15.603 -7.361 1.00 0.00 C ATOM 1806 C GLY A 115 -30.411 16.990 -7.889 1.00 0.00 C ATOM 1807 O GLY A 115 -29.719 17.961 -7.584 1.00 0.00 O ATOM 0 H GLY A 115 -28.212 15.179 -8.161 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -31.030 15.039 -7.265 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -29.674 15.685 -6.362 1.00 0.00 H new ATOM 1811 N PRO A 116 -31.473 17.095 -8.702 1.00 0.00 N ATOM 1812 CA PRO A 116 -31.896 18.369 -9.291 1.00 0.00 C ATOM 1813 C PRO A 116 -32.473 19.324 -8.252 1.00 0.00 C ATOM 1814 O PRO A 116 -32.517 19.011 -7.063 1.00 0.00 O ATOM 1815 CB PRO A 116 -32.975 17.954 -10.294 1.00 0.00 C ATOM 1816 CG PRO A 116 -33.505 16.665 -9.770 1.00 0.00 C ATOM 1817 CD PRO A 116 -32.343 15.978 -9.107 1.00 0.00 C ATOM 0 HA PRO A 116 -31.062 18.908 -9.740 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -33.761 18.706 -10.363 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -32.560 17.834 -11.295 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -34.314 16.836 -9.060 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -33.912 16.054 -10.576 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -32.662 15.386 -8.249 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -31.834 15.299 -9.791 1.00 0.00 H new ATOM 1825 N SER A 117 -32.915 20.492 -8.710 1.00 0.00 N ATOM 1826 CA SER A 117 -33.486 21.495 -7.819 1.00 0.00 C ATOM 1827 C SER A 117 -34.937 21.162 -7.486 1.00 0.00 C ATOM 1828 O SER A 117 -35.689 20.690 -8.338 1.00 0.00 O ATOM 1829 CB SER A 117 -33.404 22.882 -8.460 1.00 0.00 C ATOM 1830 OG SER A 117 -32.068 23.354 -8.484 1.00 0.00 O ATOM 0 H SER A 117 -32.888 20.766 -9.692 1.00 0.00 H new ATOM 0 HA SER A 117 -32.909 21.495 -6.894 1.00 0.00 H new ATOM 0 HB2 SER A 117 -33.797 22.840 -9.476 1.00 0.00 H new ATOM 0 HB3 SER A 117 -34.030 23.580 -7.905 1.00 0.00 H new ATOM 0 HG SER A 117 -32.042 24.241 -8.900 1.00 0.00 H new ATOM 1836 N SER A 118 -35.323 21.411 -6.238 1.00 0.00 N ATOM 1837 CA SER A 118 -36.683 21.134 -5.789 1.00 0.00 C ATOM 1838 C SER A 118 -37.703 21.607 -6.821 1.00 0.00 C ATOM 1839 O SER A 118 -37.925 22.806 -6.986 1.00 0.00 O ATOM 1840 CB SER A 118 -36.947 21.815 -4.445 1.00 0.00 C ATOM 1841 OG SER A 118 -36.305 21.123 -3.388 1.00 0.00 O ATOM 0 H SER A 118 -34.714 21.804 -5.521 1.00 0.00 H new ATOM 0 HA SER A 118 -36.787 20.056 -5.669 1.00 0.00 H new ATOM 0 HB2 SER A 118 -36.591 22.845 -4.479 1.00 0.00 H new ATOM 0 HB3 SER A 118 -38.020 21.855 -4.259 1.00 0.00 H new ATOM 0 HG SER A 118 -36.488 21.579 -2.540 1.00 0.00 H new ATOM 1847 N GLY A 119 -38.320 20.655 -7.513 1.00 0.00 N ATOM 1848 CA GLY A 119 -39.309 20.993 -8.520 1.00 0.00 C ATOM 1849 C GLY A 119 -39.425 19.933 -9.598 1.00 0.00 C ATOM 1850 O GLY A 119 -39.964 18.852 -9.359 1.00 0.00 O ATOM 0 H GLY A 119 -38.153 19.656 -7.395 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -40.279 21.128 -8.041 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -39.045 21.946 -8.979 1.00 0.00 H new TER 1854 GLY A 119