USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 962 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 71 CYS SG : rot -76:sc= -1.23 USER MOD Set 1.2: A 116 SER OG : rot 170:sc=-0.00609 USER MOD Set 2.1: A 58 THR OG1 : rot 180:sc= -0.787 USER MOD Set 2.2: A 60 SER OG : rot 150:sc= 0 USER MOD Set 3.1: A 45 HIS : no HD1:sc= -0.118 X(o=-0.12,f=0) USER MOD Set 3.2: A 46 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 16 HIS : no HD1:sc= -2.84! K(o=-6.1!,f=-3.1) USER MOD Set 4.2: A 98 GLN : amide:sc= -3.26! C(o=-6.1!,f=-5.6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.161 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -163:sc=-0.00714 (180deg=-0.537) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -179:sc= -0.667 (180deg=-0.67) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 38 MET CE :methyl -142:sc= -1.17 (180deg=-3.68!) USER MOD Single : A 39 TYR OH : rot -168:sc= -0.912 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0474) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -4.9! C(o=-4.9!,f=-6.8!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0047 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.00082) USER MOD Single : A 76 SER OG : rot 80:sc= -3.52! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot -71:sc= 1.6 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot -120:sc= 0.332 USER MOD Single : A 95 CYS SG : rot 92:sc= -0.835! USER MOD Single : A 105 MET CE :methyl 164:sc= -0.0744 (180deg=-0.489) USER MOD Single : A 110 LYS NZ :NH3+ -165:sc=-0.00687 (180deg=-0.122) USER MOD Single : A 111 THR OG1 : rot 79:sc= 0.835 USER MOD Single : A 113 GLN : amide:sc= -0.0902 K(o=-0.09,f=-1.2) USER MOD Single : A 115 SER OG : rot -137:sc= 0.399 USER MOD Single : A 117 ASN : amide:sc= -0.367 X(o=-0.37,f=-0.00051) USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 SER OG : rot 32:sc= 0.624 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc=-0.00174 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.120 -3.662 -8.211 1.00 0.00 N ATOM 2 CA GLY A 1 -18.240 -3.663 -9.365 1.00 0.00 C ATOM 3 C GLY A 1 -16.830 -4.100 -9.018 1.00 0.00 C ATOM 4 O GLY A 1 -15.964 -3.269 -8.748 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.071 -3.356 -8.500 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.171 -4.621 -7.812 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.750 -3.008 -7.492 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.646 -4.328 -10.127 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.211 -2.663 -9.797 1.00 0.00 H new ATOM 8 N SER A 2 -16.600 -5.409 -9.023 1.00 0.00 N ATOM 9 CA SER A 2 -15.287 -5.956 -8.701 1.00 0.00 C ATOM 10 C SER A 2 -14.326 -5.788 -9.874 1.00 0.00 C ATOM 11 O SER A 2 -14.721 -5.356 -10.957 1.00 0.00 O ATOM 12 CB SER A 2 -15.405 -7.436 -8.330 1.00 0.00 C ATOM 13 OG SER A 2 -14.284 -7.863 -7.576 1.00 0.00 O ATOM 0 H SER A 2 -17.306 -6.111 -9.246 1.00 0.00 H new ATOM 0 HA SER A 2 -14.890 -5.406 -7.848 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.317 -7.599 -7.756 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.488 -8.036 -9.236 1.00 0.00 H new ATOM 0 HG SER A 2 -14.384 -8.811 -7.350 1.00 0.00 H new ATOM 19 N SER A 3 -13.063 -6.133 -9.649 1.00 0.00 N ATOM 20 CA SER A 3 -12.043 -6.017 -10.685 1.00 0.00 C ATOM 21 C SER A 3 -10.899 -6.994 -10.432 1.00 0.00 C ATOM 22 O SER A 3 -10.601 -7.337 -9.289 1.00 0.00 O ATOM 23 CB SER A 3 -11.504 -4.586 -10.742 1.00 0.00 C ATOM 24 OG SER A 3 -12.552 -3.655 -10.948 1.00 0.00 O ATOM 0 H SER A 3 -12.721 -6.495 -8.759 1.00 0.00 H new ATOM 0 HA SER A 3 -12.503 -6.263 -11.642 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.983 -4.353 -9.813 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.774 -4.501 -11.547 1.00 0.00 H new ATOM 0 HG SER A 3 -12.182 -2.748 -10.979 1.00 0.00 H new ATOM 30 N GLY A 4 -10.260 -7.439 -11.510 1.00 0.00 N ATOM 31 CA GLY A 4 -9.155 -8.372 -11.386 1.00 0.00 C ATOM 32 C GLY A 4 -9.607 -9.749 -10.942 1.00 0.00 C ATOM 33 O GLY A 4 -9.024 -10.338 -10.031 1.00 0.00 O ATOM 0 H GLY A 4 -10.488 -7.170 -12.467 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.642 -8.453 -12.344 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.432 -7.982 -10.670 1.00 0.00 H new ATOM 37 N SER A 5 -10.650 -10.264 -11.585 1.00 0.00 N ATOM 38 CA SER A 5 -11.184 -11.579 -11.248 1.00 0.00 C ATOM 39 C SER A 5 -10.081 -12.633 -11.262 1.00 0.00 C ATOM 40 O SER A 5 -9.819 -13.287 -10.252 1.00 0.00 O ATOM 41 CB SER A 5 -12.291 -11.970 -12.228 1.00 0.00 C ATOM 42 OG SER A 5 -13.196 -12.885 -11.636 1.00 0.00 O ATOM 0 H SER A 5 -11.142 -9.791 -12.343 1.00 0.00 H new ATOM 0 HA SER A 5 -11.601 -11.528 -10.242 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.829 -11.078 -12.549 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.851 -12.415 -13.120 1.00 0.00 H new ATOM 0 HG SER A 5 -13.895 -13.118 -12.282 1.00 0.00 H new ATOM 48 N SER A 6 -9.437 -12.791 -12.414 1.00 0.00 N ATOM 49 CA SER A 6 -8.364 -13.768 -12.562 1.00 0.00 C ATOM 50 C SER A 6 -7.173 -13.404 -11.681 1.00 0.00 C ATOM 51 O SER A 6 -6.729 -12.256 -11.660 1.00 0.00 O ATOM 52 CB SER A 6 -7.924 -13.855 -14.024 1.00 0.00 C ATOM 53 OG SER A 6 -7.259 -15.079 -14.284 1.00 0.00 O ATOM 0 H SER A 6 -9.639 -12.255 -13.258 1.00 0.00 H new ATOM 0 HA SER A 6 -8.744 -14.740 -12.246 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.794 -13.765 -14.675 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.262 -13.021 -14.258 1.00 0.00 H new ATOM 0 HG SER A 6 -6.989 -15.111 -15.226 1.00 0.00 H new ATOM 59 N GLY A 7 -6.659 -14.391 -10.953 1.00 0.00 N ATOM 60 CA GLY A 7 -5.524 -14.156 -10.080 1.00 0.00 C ATOM 61 C GLY A 7 -5.856 -14.396 -8.620 1.00 0.00 C ATOM 62 O GLY A 7 -7.026 -14.424 -8.240 1.00 0.00 O ATOM 0 H GLY A 7 -7.009 -15.349 -10.952 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.702 -14.808 -10.374 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.178 -13.130 -10.207 1.00 0.00 H new ATOM 66 N ASP A 8 -4.825 -14.571 -7.802 1.00 0.00 N ATOM 67 CA ASP A 8 -5.012 -14.810 -6.376 1.00 0.00 C ATOM 68 C ASP A 8 -4.680 -13.560 -5.566 1.00 0.00 C ATOM 69 O ASP A 8 -4.300 -13.647 -4.399 1.00 0.00 O ATOM 70 CB ASP A 8 -4.140 -15.978 -5.914 1.00 0.00 C ATOM 71 CG ASP A 8 -4.836 -17.317 -6.067 1.00 0.00 C ATOM 72 OD1 ASP A 8 -4.955 -17.796 -7.215 1.00 0.00 O ATOM 73 OD2 ASP A 8 -5.260 -17.885 -5.040 1.00 0.00 O ATOM 0 H ASP A 8 -3.850 -14.552 -8.102 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.060 -15.061 -6.210 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.214 -15.986 -6.489 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.866 -15.832 -4.869 1.00 0.00 H new ATOM 78 N ALA A 9 -4.826 -12.399 -6.195 1.00 0.00 N ATOM 79 CA ALA A 9 -4.543 -11.131 -5.534 1.00 0.00 C ATOM 80 C ALA A 9 -5.767 -10.223 -5.540 1.00 0.00 C ATOM 81 O ALA A 9 -6.183 -9.732 -6.589 1.00 0.00 O ATOM 82 CB ALA A 9 -3.365 -10.437 -6.203 1.00 0.00 C ATOM 0 H ALA A 9 -5.139 -12.310 -7.162 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.285 -11.341 -4.496 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.165 -9.492 -5.699 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.483 -11.075 -6.140 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.601 -10.247 -7.250 1.00 0.00 H new ATOM 88 N ALA A 10 -6.342 -10.004 -4.362 1.00 0.00 N ATOM 89 CA ALA A 10 -7.519 -9.153 -4.232 1.00 0.00 C ATOM 90 C ALA A 10 -7.435 -7.954 -5.170 1.00 0.00 C ATOM 91 O ALA A 10 -8.413 -7.598 -5.828 1.00 0.00 O ATOM 92 CB ALA A 10 -7.678 -8.689 -2.791 1.00 0.00 C ATOM 0 H ALA A 10 -6.012 -10.404 -3.484 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.394 -9.739 -4.512 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.560 -8.055 -2.708 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.792 -9.556 -2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.795 -8.124 -2.491 1.00 0.00 H new ATOM 98 N LYS A 11 -6.262 -7.333 -5.225 1.00 0.00 N ATOM 99 CA LYS A 11 -6.050 -6.173 -6.083 1.00 0.00 C ATOM 100 C LYS A 11 -4.561 -5.930 -6.311 1.00 0.00 C ATOM 101 O LYS A 11 -3.726 -6.344 -5.508 1.00 0.00 O ATOM 102 CB LYS A 11 -6.691 -4.930 -5.462 1.00 0.00 C ATOM 103 CG LYS A 11 -6.620 -3.700 -6.351 1.00 0.00 C ATOM 104 CD LYS A 11 -7.771 -2.747 -6.077 1.00 0.00 C ATOM 105 CE LYS A 11 -7.548 -1.398 -6.744 1.00 0.00 C ATOM 106 NZ LYS A 11 -7.753 -1.468 -8.218 1.00 0.00 N ATOM 0 H LYS A 11 -5.443 -7.614 -4.685 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.519 -6.374 -7.046 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.735 -5.145 -5.236 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.198 -4.712 -4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.673 -3.185 -6.187 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.640 -4.005 -7.397 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.701 -3.184 -6.440 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.882 -2.609 -5.002 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.231 -0.664 -6.317 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.536 -1.052 -6.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.592 -0.529 -8.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.084 -2.150 -8.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.726 -1.774 -8.419 1.00 0.00 H new ATOM 120 N GLU A 12 -4.238 -5.255 -7.410 1.00 0.00 N ATOM 121 CA GLU A 12 -2.849 -4.957 -7.742 1.00 0.00 C ATOM 122 C GLU A 12 -2.759 -3.750 -8.671 1.00 0.00 C ATOM 123 O GLU A 12 -3.710 -3.427 -9.381 1.00 0.00 O ATOM 124 CB GLU A 12 -2.187 -6.170 -8.399 1.00 0.00 C ATOM 125 CG GLU A 12 -2.904 -6.653 -9.649 1.00 0.00 C ATOM 126 CD GLU A 12 -2.580 -8.095 -9.987 1.00 0.00 C ATOM 127 OE1 GLU A 12 -1.404 -8.384 -10.290 1.00 0.00 O ATOM 128 OE2 GLU A 12 -3.504 -8.935 -9.949 1.00 0.00 O ATOM 0 H GLU A 12 -4.918 -4.905 -8.085 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.323 -4.722 -6.817 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.158 -5.917 -8.655 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.144 -6.985 -7.677 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.980 -6.550 -9.509 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.629 -6.016 -10.490 1.00 0.00 H new ATOM 135 N GLY A 13 -1.607 -3.086 -8.658 1.00 0.00 N ATOM 136 CA GLY A 13 -1.413 -1.921 -9.502 1.00 0.00 C ATOM 137 C GLY A 13 -0.221 -1.088 -9.075 1.00 0.00 C ATOM 138 O GLY A 13 0.331 -1.291 -7.994 1.00 0.00 O ATOM 0 H GLY A 13 -0.805 -3.334 -8.078 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.276 -2.243 -10.534 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.311 -1.304 -9.477 1.00 0.00 H new ATOM 142 N TRP A 14 0.176 -0.148 -9.925 1.00 0.00 N ATOM 143 CA TRP A 14 1.312 0.719 -9.629 1.00 0.00 C ATOM 144 C TRP A 14 0.913 1.827 -8.661 1.00 0.00 C ATOM 145 O TRP A 14 0.005 2.611 -8.939 1.00 0.00 O ATOM 146 CB TRP A 14 1.865 1.326 -10.919 1.00 0.00 C ATOM 147 CG TRP A 14 2.483 0.314 -11.835 1.00 0.00 C ATOM 148 CD1 TRP A 14 1.834 -0.482 -12.735 1.00 0.00 C ATOM 149 CD2 TRP A 14 3.874 -0.012 -11.938 1.00 0.00 C ATOM 150 NE1 TRP A 14 2.737 -1.283 -13.391 1.00 0.00 N ATOM 151 CE2 TRP A 14 3.995 -1.014 -12.921 1.00 0.00 C ATOM 152 CE3 TRP A 14 5.028 0.446 -11.297 1.00 0.00 C ATOM 153 CZ2 TRP A 14 5.224 -1.564 -13.276 1.00 0.00 C ATOM 154 CZ3 TRP A 14 6.247 -0.101 -11.650 1.00 0.00 C ATOM 155 CH2 TRP A 14 6.338 -1.097 -12.632 1.00 0.00 C ATOM 0 H TRP A 14 -0.271 0.034 -10.824 1.00 0.00 H new ATOM 0 HA TRP A 14 2.087 0.114 -9.159 1.00 0.00 H new ATOM 0 HB2 TRP A 14 1.059 1.838 -11.446 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.611 2.080 -10.667 1.00 0.00 H new ATOM 0 HD1 TRP A 14 0.768 -0.482 -12.906 1.00 0.00 H new ATOM 0 HE1 TRP A 14 2.508 -1.967 -14.112 1.00 0.00 H new ATOM 0 HE3 TRP A 14 4.968 1.213 -10.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.296 -2.332 -14.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 7.145 0.245 -11.161 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.306 -1.504 -12.885 1.00 0.00 H new ATOM 166 N LEU A 15 1.598 1.888 -7.524 1.00 0.00 N ATOM 167 CA LEU A 15 1.315 2.901 -6.514 1.00 0.00 C ATOM 168 C LEU A 15 2.598 3.358 -5.826 1.00 0.00 C ATOM 169 O LEU A 15 3.507 2.561 -5.594 1.00 0.00 O ATOM 170 CB LEU A 15 0.333 2.355 -5.476 1.00 0.00 C ATOM 171 CG LEU A 15 -0.953 1.738 -6.028 1.00 0.00 C ATOM 172 CD1 LEU A 15 -1.762 1.102 -4.909 1.00 0.00 C ATOM 173 CD2 LEU A 15 -1.779 2.788 -6.756 1.00 0.00 C ATOM 0 H LEU A 15 2.353 1.248 -7.279 1.00 0.00 H new ATOM 0 HA LEU A 15 0.866 3.760 -7.013 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.847 1.601 -4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.062 3.166 -4.800 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.683 0.959 -6.741 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.673 0.668 -5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.171 0.320 -4.432 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.022 1.861 -4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.690 2.331 -7.142 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.040 3.589 -6.065 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.200 3.197 -7.584 1.00 0.00 H new ATOM 185 N HIS A 16 2.663 4.645 -5.500 1.00 0.00 N ATOM 186 CA HIS A 16 3.834 5.207 -4.836 1.00 0.00 C ATOM 187 C HIS A 16 3.809 4.901 -3.342 1.00 0.00 C ATOM 188 O HIS A 16 2.986 5.439 -2.601 1.00 0.00 O ATOM 189 CB HIS A 16 3.896 6.718 -5.059 1.00 0.00 C ATOM 190 CG HIS A 16 4.084 7.105 -6.493 1.00 0.00 C ATOM 191 ND1 HIS A 16 5.323 7.329 -7.056 1.00 0.00 N ATOM 192 CD2 HIS A 16 3.182 7.306 -7.482 1.00 0.00 C ATOM 193 CE1 HIS A 16 5.174 7.653 -8.328 1.00 0.00 C ATOM 194 NE2 HIS A 16 3.884 7.645 -8.612 1.00 0.00 N ATOM 0 H HIS A 16 1.919 5.318 -5.685 1.00 0.00 H new ATOM 0 HA HIS A 16 4.723 4.747 -5.268 1.00 0.00 H new ATOM 0 HB2 HIS A 16 2.976 7.170 -4.687 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.715 7.131 -4.470 1.00 0.00 H new ATOM 0 HD2 HIS A 16 2.109 7.216 -7.398 1.00 0.00 H new ATOM 0 HE1 HIS A 16 5.971 7.885 -9.018 1.00 0.00 H new ATOM 0 HE2 HIS A 16 3.476 7.856 -9.523 1.00 0.00 H new ATOM 203 N PHE A 17 4.716 4.034 -2.905 1.00 0.00 N ATOM 204 CA PHE A 17 4.797 3.655 -1.499 1.00 0.00 C ATOM 205 C PHE A 17 5.894 4.442 -0.786 1.00 0.00 C ATOM 206 O PHE A 17 7.082 4.233 -1.032 1.00 0.00 O ATOM 207 CB PHE A 17 5.064 2.154 -1.368 1.00 0.00 C ATOM 208 CG PHE A 17 5.624 1.759 -0.031 1.00 0.00 C ATOM 209 CD1 PHE A 17 4.785 1.527 1.046 1.00 0.00 C ATOM 210 CD2 PHE A 17 6.992 1.622 0.148 1.00 0.00 C ATOM 211 CE1 PHE A 17 5.298 1.163 2.277 1.00 0.00 C ATOM 212 CE2 PHE A 17 7.510 1.258 1.376 1.00 0.00 C ATOM 213 CZ PHE A 17 6.662 1.030 2.442 1.00 0.00 C ATOM 0 H PHE A 17 5.406 3.580 -3.504 1.00 0.00 H new ATOM 0 HA PHE A 17 3.842 3.890 -1.030 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.134 1.611 -1.538 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.759 1.847 -2.149 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.717 1.632 0.923 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.660 1.802 -0.681 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.633 0.983 3.108 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.577 1.152 1.502 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.065 0.748 3.403 1.00 0.00 H new ATOM 223 N ARG A 18 5.485 5.347 0.096 1.00 0.00 N ATOM 224 CA ARG A 18 6.431 6.167 0.844 1.00 0.00 C ATOM 225 C ARG A 18 6.259 5.963 2.346 1.00 0.00 C ATOM 226 O ARG A 18 5.383 6.551 2.981 1.00 0.00 O ATOM 227 CB ARG A 18 6.246 7.645 0.494 1.00 0.00 C ATOM 228 CG ARG A 18 7.401 8.526 0.941 1.00 0.00 C ATOM 229 CD ARG A 18 7.148 9.988 0.605 1.00 0.00 C ATOM 230 NE ARG A 18 8.108 10.873 1.259 1.00 0.00 N ATOM 231 CZ ARG A 18 8.087 12.196 1.141 1.00 0.00 C ATOM 232 NH1 ARG A 18 7.160 12.783 0.398 1.00 0.00 N ATOM 233 NH2 ARG A 18 8.995 12.934 1.767 1.00 0.00 N ATOM 0 H ARG A 18 4.505 5.531 0.311 1.00 0.00 H new ATOM 0 HA ARG A 18 7.439 5.859 0.566 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.123 7.742 -0.585 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.326 8.006 0.953 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.548 8.418 2.016 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.321 8.195 0.459 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.204 10.127 -0.475 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.138 10.261 0.910 1.00 0.00 H new ATOM 0 HE ARG A 18 8.835 10.452 1.838 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.461 12.219 -0.085 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.146 13.799 0.309 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.710 12.485 2.340 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.978 13.950 1.676 1.00 0.00 H new ATOM 247 N PRO A 19 7.114 5.110 2.930 1.00 0.00 N ATOM 248 CA PRO A 19 7.077 4.809 4.364 1.00 0.00 C ATOM 249 C PRO A 19 7.522 5.992 5.216 1.00 0.00 C ATOM 250 O PRO A 19 8.421 6.743 4.834 1.00 0.00 O ATOM 251 CB PRO A 19 8.061 3.646 4.508 1.00 0.00 C ATOM 252 CG PRO A 19 8.998 3.798 3.359 1.00 0.00 C ATOM 253 CD PRO A 19 8.184 4.375 2.234 1.00 0.00 C ATOM 0 HA PRO A 19 6.068 4.576 4.706 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.591 3.691 5.460 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.546 2.686 4.475 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.828 4.455 3.617 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.428 2.837 3.077 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.780 5.035 1.604 1.00 0.00 H new ATOM 0 HD3 PRO A 19 7.781 3.595 1.588 1.00 0.00 H new ATOM 261 N LEU A 20 6.888 6.154 6.372 1.00 0.00 N ATOM 262 CA LEU A 20 7.219 7.247 7.280 1.00 0.00 C ATOM 263 C LEU A 20 8.152 6.770 8.389 1.00 0.00 C ATOM 264 O LEU A 20 9.173 7.397 8.669 1.00 0.00 O ATOM 265 CB LEU A 20 5.945 7.836 7.888 1.00 0.00 C ATOM 266 CG LEU A 20 5.007 8.552 6.916 1.00 0.00 C ATOM 267 CD1 LEU A 20 3.813 9.134 7.657 1.00 0.00 C ATOM 268 CD2 LEU A 20 5.752 9.643 6.162 1.00 0.00 C ATOM 0 H LEU A 20 6.142 5.542 6.703 1.00 0.00 H new ATOM 0 HA LEU A 20 7.731 8.020 6.707 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.391 7.031 8.370 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.231 8.539 8.670 1.00 0.00 H new ATOM 0 HG LEU A 20 4.640 7.824 6.193 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.157 9.640 6.949 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.265 8.332 8.151 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.161 9.848 8.403 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.069 10.142 5.475 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.148 10.370 6.871 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.574 9.200 5.599 1.00 0.00 H new ATOM 280 N VAL A 21 7.794 5.654 9.017 1.00 0.00 N ATOM 281 CA VAL A 21 8.600 5.090 10.094 1.00 0.00 C ATOM 282 C VAL A 21 9.169 3.732 9.700 1.00 0.00 C ATOM 283 O VAL A 21 8.472 2.897 9.123 1.00 0.00 O ATOM 284 CB VAL A 21 7.779 4.935 11.387 1.00 0.00 C ATOM 285 CG1 VAL A 21 7.907 6.179 12.254 1.00 0.00 C ATOM 286 CG2 VAL A 21 6.320 4.651 11.062 1.00 0.00 C ATOM 0 H VAL A 21 6.951 5.123 8.798 1.00 0.00 H new ATOM 0 HA VAL A 21 9.419 5.786 10.274 1.00 0.00 H new ATOM 0 HB VAL A 21 8.175 4.088 11.947 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.320 6.051 13.163 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.954 6.333 12.517 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.539 7.045 11.704 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.755 4.544 11.988 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.910 5.476 10.480 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.249 3.729 10.485 1.00 0.00 H new ATOM 296 N THR A 22 10.442 3.516 10.016 1.00 0.00 N ATOM 297 CA THR A 22 11.106 2.259 9.696 1.00 0.00 C ATOM 298 C THR A 22 11.917 1.748 10.881 1.00 0.00 C ATOM 299 O THR A 22 12.052 2.433 11.895 1.00 0.00 O ATOM 300 CB THR A 22 12.038 2.410 8.478 1.00 0.00 C ATOM 301 OG1 THR A 22 12.684 3.687 8.512 1.00 0.00 O ATOM 302 CG2 THR A 22 11.259 2.265 7.180 1.00 0.00 C ATOM 0 H THR A 22 11.034 4.196 10.493 1.00 0.00 H new ATOM 0 HA THR A 22 10.322 1.540 9.458 1.00 0.00 H new ATOM 0 HB THR A 22 12.789 1.622 8.522 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.276 3.775 7.736 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.938 2.375 6.334 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.791 1.281 7.144 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.489 3.035 7.130 1.00 0.00 H new ATOM 310 N ASP A 23 12.456 0.541 10.747 1.00 0.00 N ATOM 311 CA ASP A 23 13.256 -0.062 11.807 1.00 0.00 C ATOM 312 C ASP A 23 14.572 0.689 11.988 1.00 0.00 C ATOM 313 O ASP A 23 15.547 0.435 11.280 1.00 0.00 O ATOM 314 CB ASP A 23 13.533 -1.533 11.493 1.00 0.00 C ATOM 315 CG ASP A 23 12.260 -2.330 11.287 1.00 0.00 C ATOM 316 OD1 ASP A 23 11.676 -2.242 10.186 1.00 0.00 O ATOM 317 OD2 ASP A 23 11.848 -3.043 12.226 1.00 0.00 O ATOM 0 H ASP A 23 12.353 -0.039 9.914 1.00 0.00 H new ATOM 0 HA ASP A 23 12.690 0.002 12.737 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.150 -1.600 10.597 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.106 -1.974 12.308 1.00 0.00 H new ATOM 322 N LYS A 24 14.592 1.615 12.940 1.00 0.00 N ATOM 323 CA LYS A 24 15.787 2.404 13.215 1.00 0.00 C ATOM 324 C LYS A 24 17.044 1.548 13.094 1.00 0.00 C ATOM 325 O LYS A 24 17.451 0.886 14.048 1.00 0.00 O ATOM 326 CB LYS A 24 15.708 3.016 14.616 1.00 0.00 C ATOM 327 CG LYS A 24 15.055 4.387 14.644 1.00 0.00 C ATOM 328 CD LYS A 24 14.438 4.682 16.001 1.00 0.00 C ATOM 329 CE LYS A 24 13.503 5.881 15.939 1.00 0.00 C ATOM 330 NZ LYS A 24 14.217 7.155 16.230 1.00 0.00 N ATOM 0 H LYS A 24 13.794 1.838 13.535 1.00 0.00 H new ATOM 0 HA LYS A 24 15.841 3.205 12.477 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.149 2.343 15.266 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.715 3.094 15.027 1.00 0.00 H new ATOM 0 HG2 LYS A 24 15.797 5.150 14.407 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.286 4.441 13.874 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.888 3.808 16.350 1.00 0.00 H new ATOM 0 HD3 LYS A 24 15.228 4.872 16.728 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.049 5.937 14.950 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.692 5.747 16.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.547 7.948 16.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.629 7.112 17.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.975 7.296 15.531 1.00 0.00 H new ATOM 344 N GLY A 25 17.655 1.566 11.913 1.00 0.00 N ATOM 345 CA GLY A 25 18.860 0.788 11.689 1.00 0.00 C ATOM 346 C GLY A 25 18.563 -0.665 11.377 1.00 0.00 C ATOM 347 O GLY A 25 17.559 -0.977 10.735 1.00 0.00 O ATOM 0 H GLY A 25 17.337 2.105 11.108 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.423 1.226 10.865 1.00 0.00 H new ATOM 0 HA3 GLY A 25 19.494 0.844 12.574 1.00 0.00 H new ATOM 351 N LYS A 26 19.437 -1.557 11.830 1.00 0.00 N ATOM 352 CA LYS A 26 19.265 -2.986 11.595 1.00 0.00 C ATOM 353 C LYS A 26 19.400 -3.313 10.112 1.00 0.00 C ATOM 354 O LYS A 26 18.649 -4.129 9.576 1.00 0.00 O ATOM 355 CB LYS A 26 17.898 -3.446 12.108 1.00 0.00 C ATOM 356 CG LYS A 26 17.816 -4.942 12.359 1.00 0.00 C ATOM 357 CD LYS A 26 18.317 -5.302 13.748 1.00 0.00 C ATOM 358 CE LYS A 26 18.617 -6.789 13.864 1.00 0.00 C ATOM 359 NZ LYS A 26 17.703 -7.606 13.019 1.00 0.00 N ATOM 0 H LYS A 26 20.273 -1.315 12.363 1.00 0.00 H new ATOM 0 HA LYS A 26 20.048 -3.516 12.138 1.00 0.00 H new ATOM 0 HB2 LYS A 26 17.670 -2.917 13.034 1.00 0.00 H new ATOM 0 HB3 LYS A 26 17.134 -3.165 11.384 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.784 -5.275 12.246 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.406 -5.471 11.610 1.00 0.00 H new ATOM 0 HD2 LYS A 26 19.217 -4.730 13.971 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.569 -5.022 14.490 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.649 -6.976 13.568 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.523 -7.098 14.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.735 -8.598 13.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.732 -7.246 13.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.003 -7.546 12.025 1.00 0.00 H new ATOM 373 N ARG A 27 20.362 -2.674 9.454 1.00 0.00 N ATOM 374 CA ARG A 27 20.595 -2.899 8.033 1.00 0.00 C ATOM 375 C ARG A 27 19.349 -2.564 7.218 1.00 0.00 C ATOM 376 O ARG A 27 18.962 -3.313 6.321 1.00 0.00 O ATOM 377 CB ARG A 27 21.004 -4.352 7.785 1.00 0.00 C ATOM 378 CG ARG A 27 22.479 -4.621 8.038 1.00 0.00 C ATOM 379 CD ARG A 27 22.773 -4.756 9.524 1.00 0.00 C ATOM 380 NE ARG A 27 24.200 -4.913 9.788 1.00 0.00 N ATOM 381 CZ ARG A 27 24.873 -6.034 9.549 1.00 0.00 C ATOM 382 NH1 ARG A 27 24.251 -7.090 9.044 1.00 0.00 N ATOM 383 NH2 ARG A 27 26.171 -6.099 9.815 1.00 0.00 N ATOM 0 H ARG A 27 20.992 -1.996 9.883 1.00 0.00 H new ATOM 0 HA ARG A 27 21.404 -2.242 7.715 1.00 0.00 H new ATOM 0 HB2 ARG A 27 20.409 -5.003 8.426 1.00 0.00 H new ATOM 0 HB3 ARG A 27 20.767 -4.617 6.755 1.00 0.00 H new ATOM 0 HG2 ARG A 27 22.777 -5.534 7.522 1.00 0.00 H new ATOM 0 HG3 ARG A 27 23.075 -3.810 7.620 1.00 0.00 H new ATOM 0 HD2 ARG A 27 22.402 -3.875 10.048 1.00 0.00 H new ATOM 0 HD3 ARG A 27 22.234 -5.615 9.923 1.00 0.00 H new ATOM 0 HE ARG A 27 24.709 -4.119 10.177 1.00 0.00 H new ATOM 0 HH11 ARG A 27 23.253 -7.044 8.838 1.00 0.00 H new ATOM 0 HH12 ARG A 27 24.770 -7.949 8.862 1.00 0.00 H new ATOM 0 HH21 ARG A 27 26.653 -5.288 10.203 1.00 0.00 H new ATOM 0 HH22 ARG A 27 26.687 -6.960 9.631 1.00 0.00 H new ATOM 397 N VAL A 28 18.725 -1.435 7.537 1.00 0.00 N ATOM 398 CA VAL A 28 17.524 -1.000 6.835 1.00 0.00 C ATOM 399 C VAL A 28 17.086 0.384 7.299 1.00 0.00 C ATOM 400 O VAL A 28 17.236 0.734 8.469 1.00 0.00 O ATOM 401 CB VAL A 28 16.363 -1.991 7.043 1.00 0.00 C ATOM 402 CG1 VAL A 28 15.942 -2.020 8.505 1.00 0.00 C ATOM 403 CG2 VAL A 28 15.187 -1.628 6.149 1.00 0.00 C ATOM 0 H VAL A 28 19.032 -0.805 8.278 1.00 0.00 H new ATOM 0 HA VAL A 28 17.774 -0.961 5.775 1.00 0.00 H new ATOM 0 HB VAL A 28 16.705 -2.989 6.768 1.00 0.00 H new ATOM 0 HG11 VAL A 28 15.121 -2.725 8.633 1.00 0.00 H new ATOM 0 HG12 VAL A 28 16.786 -2.330 9.121 1.00 0.00 H new ATOM 0 HG13 VAL A 28 15.617 -1.025 8.810 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.376 -2.338 6.309 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.842 -0.623 6.392 1.00 0.00 H new ATOM 0 HG23 VAL A 28 15.499 -1.662 5.105 1.00 0.00 H new ATOM 413 N GLY A 29 16.543 1.169 6.374 1.00 0.00 N ATOM 414 CA GLY A 29 16.091 2.507 6.708 1.00 0.00 C ATOM 415 C GLY A 29 17.219 3.520 6.697 1.00 0.00 C ATOM 416 O GLY A 29 18.381 3.167 6.893 1.00 0.00 O ATOM 0 H GLY A 29 16.408 0.902 5.399 1.00 0.00 H new ATOM 0 HA2 GLY A 29 15.323 2.815 5.999 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.627 2.495 7.694 1.00 0.00 H new ATOM 420 N GLY A 30 16.876 4.783 6.467 1.00 0.00 N ATOM 421 CA GLY A 30 17.880 5.830 6.434 1.00 0.00 C ATOM 422 C GLY A 30 17.293 7.205 6.685 1.00 0.00 C ATOM 423 O GLY A 30 16.511 7.393 7.617 1.00 0.00 O ATOM 0 H GLY A 30 15.921 5.100 6.303 1.00 0.00 H new ATOM 0 HA2 GLY A 30 18.643 5.621 7.184 1.00 0.00 H new ATOM 0 HA3 GLY A 30 18.377 5.822 5.464 1.00 0.00 H new ATOM 427 N SER A 31 17.671 8.170 5.853 1.00 0.00 N ATOM 428 CA SER A 31 17.181 9.536 5.993 1.00 0.00 C ATOM 429 C SER A 31 15.958 9.767 5.111 1.00 0.00 C ATOM 430 O SER A 31 15.462 8.844 4.465 1.00 0.00 O ATOM 431 CB SER A 31 18.282 10.535 5.630 1.00 0.00 C ATOM 432 OG SER A 31 19.412 10.376 6.470 1.00 0.00 O ATOM 0 H SER A 31 18.315 8.031 5.075 1.00 0.00 H new ATOM 0 HA SER A 31 16.891 9.687 7.033 1.00 0.00 H new ATOM 0 HB2 SER A 31 18.576 10.395 4.590 1.00 0.00 H new ATOM 0 HB3 SER A 31 17.899 11.552 5.719 1.00 0.00 H new ATOM 0 HG SER A 31 20.102 11.024 6.217 1.00 0.00 H new ATOM 438 N ILE A 32 15.477 11.006 5.090 1.00 0.00 N ATOM 439 CA ILE A 32 14.313 11.359 4.287 1.00 0.00 C ATOM 440 C ILE A 32 14.498 10.935 2.834 1.00 0.00 C ATOM 441 O ILE A 32 15.556 11.152 2.243 1.00 0.00 O ATOM 442 CB ILE A 32 14.034 12.873 4.336 1.00 0.00 C ATOM 443 CG1 ILE A 32 13.884 13.339 5.786 1.00 0.00 C ATOM 444 CG2 ILE A 32 12.785 13.208 3.535 1.00 0.00 C ATOM 445 CD1 ILE A 32 12.621 12.842 6.453 1.00 0.00 C ATOM 0 H ILE A 32 15.875 11.781 5.620 1.00 0.00 H new ATOM 0 HA ILE A 32 13.463 10.826 4.713 1.00 0.00 H new ATOM 0 HB ILE A 32 14.879 13.398 3.890 1.00 0.00 H new ATOM 0 HG12 ILE A 32 14.746 12.999 6.359 1.00 0.00 H new ATOM 0 HG13 ILE A 32 13.894 14.429 5.812 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.601 14.281 3.579 1.00 0.00 H new ATOM 0 HG22 ILE A 32 12.927 12.907 2.497 1.00 0.00 H new ATOM 0 HG23 ILE A 32 11.931 12.676 3.954 1.00 0.00 H new ATOM 0 HD11 ILE A 32 12.581 13.211 7.478 1.00 0.00 H new ATOM 0 HD12 ILE A 32 11.752 13.204 5.903 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.618 11.752 6.459 1.00 0.00 H new ATOM 457 N ARG A 33 13.461 10.330 2.263 1.00 0.00 N ATOM 458 CA ARG A 33 13.509 9.876 0.879 1.00 0.00 C ATOM 459 C ARG A 33 12.185 10.149 0.171 1.00 0.00 C ATOM 460 O ARG A 33 11.107 10.057 0.760 1.00 0.00 O ATOM 461 CB ARG A 33 13.831 8.382 0.821 1.00 0.00 C ATOM 462 CG ARG A 33 15.312 8.072 0.969 1.00 0.00 C ATOM 463 CD ARG A 33 16.039 8.175 -0.363 1.00 0.00 C ATOM 464 NE ARG A 33 15.539 7.207 -1.335 1.00 0.00 N ATOM 465 CZ ARG A 33 15.770 5.902 -1.258 1.00 0.00 C ATOM 466 NH1 ARG A 33 16.489 5.410 -0.259 1.00 0.00 N ATOM 467 NH2 ARG A 33 15.281 5.084 -2.182 1.00 0.00 N ATOM 0 H ARG A 33 12.578 10.143 2.738 1.00 0.00 H new ATOM 0 HA ARG A 33 14.296 10.431 0.368 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.281 7.869 1.610 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.477 7.979 -0.128 1.00 0.00 H new ATOM 0 HG2 ARG A 33 15.760 8.763 1.683 1.00 0.00 H new ATOM 0 HG3 ARG A 33 15.436 7.068 1.376 1.00 0.00 H new ATOM 0 HD2 ARG A 33 15.923 9.183 -0.762 1.00 0.00 H new ATOM 0 HD3 ARG A 33 17.106 8.014 -0.207 1.00 0.00 H new ATOM 0 HE ARG A 33 14.982 7.552 -2.116 1.00 0.00 H new ATOM 0 HH11 ARG A 33 16.867 6.035 0.454 1.00 0.00 H new ATOM 0 HH12 ARG A 33 16.665 4.407 -0.203 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.727 5.458 -2.952 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.459 4.082 -2.122 1.00 0.00 H new ATOM 481 N PRO A 34 12.265 10.494 -1.122 1.00 0.00 N ATOM 482 CA PRO A 34 11.083 10.788 -1.938 1.00 0.00 C ATOM 483 C PRO A 34 10.250 9.543 -2.221 1.00 0.00 C ATOM 484 O PRO A 34 10.707 8.419 -2.014 1.00 0.00 O ATOM 485 CB PRO A 34 11.677 11.340 -3.237 1.00 0.00 C ATOM 486 CG PRO A 34 13.042 10.750 -3.310 1.00 0.00 C ATOM 487 CD PRO A 34 13.516 10.624 -1.889 1.00 0.00 C ATOM 0 HA PRO A 34 10.403 11.477 -1.437 1.00 0.00 H new ATOM 0 HB2 PRO A 34 11.076 11.054 -4.100 1.00 0.00 H new ATOM 0 HB3 PRO A 34 11.717 12.429 -3.223 1.00 0.00 H new ATOM 0 HG2 PRO A 34 13.021 9.777 -3.802 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.711 11.386 -3.890 1.00 0.00 H new ATOM 0 HD2 PRO A 34 14.161 9.755 -1.756 1.00 0.00 H new ATOM 0 HD3 PRO A 34 14.089 11.497 -1.578 1.00 0.00 H new ATOM 495 N TRP A 35 9.027 9.750 -2.695 1.00 0.00 N ATOM 496 CA TRP A 35 8.130 8.643 -3.006 1.00 0.00 C ATOM 497 C TRP A 35 8.873 7.529 -3.735 1.00 0.00 C ATOM 498 O TRP A 35 9.821 7.784 -4.478 1.00 0.00 O ATOM 499 CB TRP A 35 6.958 9.133 -3.858 1.00 0.00 C ATOM 500 CG TRP A 35 6.064 10.098 -3.139 1.00 0.00 C ATOM 501 CD1 TRP A 35 6.241 11.447 -3.021 1.00 0.00 C ATOM 502 CD2 TRP A 35 4.855 9.787 -2.438 1.00 0.00 C ATOM 503 NE1 TRP A 35 5.215 11.993 -2.289 1.00 0.00 N ATOM 504 CE2 TRP A 35 4.351 10.996 -1.920 1.00 0.00 C ATOM 505 CE3 TRP A 35 4.149 8.605 -2.198 1.00 0.00 C ATOM 506 CZ2 TRP A 35 3.175 11.054 -1.177 1.00 0.00 C ATOM 507 CZ3 TRP A 35 2.982 8.665 -1.461 1.00 0.00 C ATOM 508 CH2 TRP A 35 2.504 9.882 -0.958 1.00 0.00 C ATOM 0 H TRP A 35 8.634 10.674 -2.872 1.00 0.00 H new ATOM 0 HA TRP A 35 7.746 8.245 -2.067 1.00 0.00 H new ATOM 0 HB2 TRP A 35 7.347 9.610 -4.758 1.00 0.00 H new ATOM 0 HB3 TRP A 35 6.369 8.275 -4.181 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.066 12.003 -3.441 1.00 0.00 H new ATOM 0 HE1 TRP A 35 5.113 12.981 -2.058 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.509 7.662 -2.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.806 11.991 -0.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.428 7.758 -1.269 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.588 9.895 -0.386 1.00 0.00 H new ATOM 519 N LYS A 36 8.437 6.293 -3.519 1.00 0.00 N ATOM 520 CA LYS A 36 9.060 5.139 -4.157 1.00 0.00 C ATOM 521 C LYS A 36 8.038 4.348 -4.968 1.00 0.00 C ATOM 522 O LYS A 36 7.242 3.593 -4.411 1.00 0.00 O ATOM 523 CB LYS A 36 9.703 4.233 -3.104 1.00 0.00 C ATOM 524 CG LYS A 36 10.659 4.963 -2.176 1.00 0.00 C ATOM 525 CD LYS A 36 11.039 4.106 -0.980 1.00 0.00 C ATOM 526 CE LYS A 36 12.436 4.436 -0.479 1.00 0.00 C ATOM 527 NZ LYS A 36 12.448 5.666 0.361 1.00 0.00 N ATOM 0 H LYS A 36 7.654 6.064 -2.907 1.00 0.00 H new ATOM 0 HA LYS A 36 9.832 5.503 -4.835 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.917 3.767 -2.509 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.241 3.430 -3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.558 5.242 -2.725 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.197 5.888 -1.830 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.318 4.260 -0.177 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.990 3.053 -1.256 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.822 3.597 0.100 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.104 4.570 -1.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.421 5.867 0.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.088 6.469 -0.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.844 5.523 1.195 1.00 0.00 H new ATOM 541 N GLN A 37 8.069 4.525 -6.284 1.00 0.00 N ATOM 542 CA GLN A 37 7.145 3.827 -7.171 1.00 0.00 C ATOM 543 C GLN A 37 7.505 2.348 -7.276 1.00 0.00 C ATOM 544 O GLN A 37 8.585 1.995 -7.750 1.00 0.00 O ATOM 545 CB GLN A 37 7.156 4.467 -8.560 1.00 0.00 C ATOM 546 CG GLN A 37 5.942 4.110 -9.403 1.00 0.00 C ATOM 547 CD GLN A 37 5.886 4.887 -10.704 1.00 0.00 C ATOM 548 OE1 GLN A 37 6.887 5.008 -11.411 1.00 0.00 O ATOM 549 NE2 GLN A 37 4.713 5.418 -11.027 1.00 0.00 N ATOM 0 H GLN A 37 8.724 5.146 -6.760 1.00 0.00 H new ATOM 0 HA GLN A 37 6.143 3.910 -6.749 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.207 5.550 -8.452 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.058 4.157 -9.087 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.958 3.042 -9.622 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.036 4.304 -8.829 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.910 5.293 -10.411 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.615 5.951 -11.891 1.00 0.00 H new ATOM 558 N MET A 38 6.594 1.489 -6.831 1.00 0.00 N ATOM 559 CA MET A 38 6.816 0.049 -6.877 1.00 0.00 C ATOM 560 C MET A 38 5.491 -0.703 -6.951 1.00 0.00 C ATOM 561 O MET A 38 4.605 -0.504 -6.120 1.00 0.00 O ATOM 562 CB MET A 38 7.606 -0.406 -5.648 1.00 0.00 C ATOM 563 CG MET A 38 7.031 0.099 -4.335 1.00 0.00 C ATOM 564 SD MET A 38 8.206 -0.015 -2.973 1.00 0.00 S ATOM 565 CE MET A 38 8.853 -1.667 -3.221 1.00 0.00 C ATOM 0 H MET A 38 5.696 1.765 -6.435 1.00 0.00 H new ATOM 0 HA MET A 38 7.392 -0.176 -7.774 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.635 -1.495 -5.628 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.636 -0.062 -5.740 1.00 0.00 H new ATOM 0 HG2 MET A 38 6.719 1.137 -4.455 1.00 0.00 H new ATOM 0 HG3 MET A 38 6.138 -0.476 -4.089 1.00 0.00 H new ATOM 0 HE1 MET A 38 9.011 -2.145 -2.254 1.00 0.00 H new ATOM 0 HE2 MET A 38 8.142 -2.253 -3.803 1.00 0.00 H new ATOM 0 HE3 MET A 38 9.801 -1.610 -3.757 1.00 0.00 H new ATOM 575 N TYR A 39 5.362 -1.568 -7.952 1.00 0.00 N ATOM 576 CA TYR A 39 4.143 -2.347 -8.135 1.00 0.00 C ATOM 577 C TYR A 39 3.658 -2.921 -6.808 1.00 0.00 C ATOM 578 O TYR A 39 4.255 -3.851 -6.265 1.00 0.00 O ATOM 579 CB TYR A 39 4.384 -3.479 -9.136 1.00 0.00 C ATOM 580 CG TYR A 39 3.111 -4.064 -9.705 1.00 0.00 C ATOM 581 CD1 TYR A 39 2.216 -3.273 -10.415 1.00 0.00 C ATOM 582 CD2 TYR A 39 2.804 -5.409 -9.535 1.00 0.00 C ATOM 583 CE1 TYR A 39 1.052 -3.803 -10.937 1.00 0.00 C ATOM 584 CE2 TYR A 39 1.643 -5.947 -10.054 1.00 0.00 C ATOM 585 CZ TYR A 39 0.770 -5.141 -10.754 1.00 0.00 C ATOM 586 OH TYR A 39 -0.388 -5.673 -11.273 1.00 0.00 O ATOM 0 H TYR A 39 6.086 -1.747 -8.648 1.00 0.00 H new ATOM 0 HA TYR A 39 3.372 -1.683 -8.525 1.00 0.00 H new ATOM 0 HB2 TYR A 39 4.999 -3.105 -9.954 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.951 -4.271 -8.647 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.434 -2.225 -10.561 1.00 0.00 H new ATOM 0 HD2 TYR A 39 3.485 -6.044 -8.988 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.367 -3.174 -11.485 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.420 -6.994 -9.912 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.533 -6.567 -10.899 1.00 0.00 H new ATOM 596 N VAL A 40 2.570 -2.360 -6.290 1.00 0.00 N ATOM 597 CA VAL A 40 2.002 -2.816 -5.027 1.00 0.00 C ATOM 598 C VAL A 40 0.902 -3.846 -5.259 1.00 0.00 C ATOM 599 O VAL A 40 -0.015 -3.624 -6.051 1.00 0.00 O ATOM 600 CB VAL A 40 1.427 -1.641 -4.214 1.00 0.00 C ATOM 601 CG1 VAL A 40 0.708 -2.151 -2.974 1.00 0.00 C ATOM 602 CG2 VAL A 40 2.530 -0.664 -3.838 1.00 0.00 C ATOM 0 H VAL A 40 2.064 -1.589 -6.726 1.00 0.00 H new ATOM 0 HA VAL A 40 2.813 -3.276 -4.463 1.00 0.00 H new ATOM 0 HB VAL A 40 0.702 -1.113 -4.833 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.308 -1.307 -2.412 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.109 -2.808 -3.272 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.409 -2.704 -2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.106 0.160 -3.264 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.281 -1.177 -3.237 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.995 -0.274 -4.743 1.00 0.00 H new ATOM 612 N VAL A 41 0.999 -4.974 -4.563 1.00 0.00 N ATOM 613 CA VAL A 41 0.011 -6.039 -4.692 1.00 0.00 C ATOM 614 C VAL A 41 -0.653 -6.337 -3.352 1.00 0.00 C ATOM 615 O VAL A 41 0.007 -6.368 -2.313 1.00 0.00 O ATOM 616 CB VAL A 41 0.648 -7.332 -5.235 1.00 0.00 C ATOM 617 CG1 VAL A 41 -0.363 -8.469 -5.229 1.00 0.00 C ATOM 618 CG2 VAL A 41 1.199 -7.107 -6.635 1.00 0.00 C ATOM 0 H VAL A 41 1.751 -5.174 -3.904 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.742 -5.689 -5.398 1.00 0.00 H new ATOM 0 HB VAL A 41 1.476 -7.610 -4.583 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.105 -9.374 -5.616 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.706 -8.645 -4.210 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.213 -8.203 -5.857 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.645 -8.031 -7.003 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.390 -6.805 -7.300 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.957 -6.324 -6.606 1.00 0.00 H new ATOM 628 N LEU A 42 -1.963 -6.555 -3.384 1.00 0.00 N ATOM 629 CA LEU A 42 -2.719 -6.851 -2.172 1.00 0.00 C ATOM 630 C LEU A 42 -3.257 -8.278 -2.201 1.00 0.00 C ATOM 631 O LEU A 42 -4.176 -8.590 -2.958 1.00 0.00 O ATOM 632 CB LEU A 42 -3.874 -5.862 -2.013 1.00 0.00 C ATOM 633 CG LEU A 42 -4.989 -6.280 -1.053 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.511 -6.199 0.388 1.00 0.00 C ATOM 635 CD2 LEU A 42 -6.222 -5.412 -1.258 1.00 0.00 C ATOM 0 H LEU A 42 -2.524 -6.532 -4.236 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.046 -6.753 -1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.466 -4.910 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.314 -5.687 -2.995 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.258 -7.314 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.318 -6.500 1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.658 -6.863 0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.214 -5.175 0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.005 -5.723 -0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.967 -4.369 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.578 -5.521 -2.282 1.00 0.00 H new ATOM 647 N ARG A 43 -2.680 -9.140 -1.369 1.00 0.00 N ATOM 648 CA ARG A 43 -3.102 -10.533 -1.299 1.00 0.00 C ATOM 649 C ARG A 43 -3.620 -10.875 0.095 1.00 0.00 C ATOM 650 O ARG A 43 -2.862 -10.890 1.064 1.00 0.00 O ATOM 651 CB ARG A 43 -1.941 -11.460 -1.664 1.00 0.00 C ATOM 652 CG ARG A 43 -1.537 -11.383 -3.128 1.00 0.00 C ATOM 653 CD ARG A 43 -0.768 -12.622 -3.559 1.00 0.00 C ATOM 654 NE ARG A 43 0.642 -12.549 -3.186 1.00 0.00 N ATOM 655 CZ ARG A 43 1.422 -13.615 -3.047 1.00 0.00 C ATOM 656 NH1 ARG A 43 0.931 -14.830 -3.249 1.00 0.00 N ATOM 657 NH2 ARG A 43 2.695 -13.467 -2.705 1.00 0.00 N ATOM 0 H ARG A 43 -1.919 -8.897 -0.734 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.911 -10.677 -2.015 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.080 -11.211 -1.045 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.218 -12.487 -1.426 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.427 -11.272 -3.747 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.923 -10.497 -3.291 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.218 -13.504 -3.104 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.851 -12.743 -4.639 1.00 0.00 H new ATOM 0 HE ARG A 43 1.050 -11.629 -3.023 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.048 -14.947 -3.512 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.532 -15.647 -3.142 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.076 -12.534 -2.548 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.293 -14.286 -2.599 1.00 0.00 H new ATOM 671 N GLY A 44 -4.918 -11.149 0.188 1.00 0.00 N ATOM 672 CA GLY A 44 -5.515 -11.485 1.467 1.00 0.00 C ATOM 673 C GLY A 44 -5.475 -10.330 2.448 1.00 0.00 C ATOM 674 O GLY A 44 -6.291 -9.412 2.371 1.00 0.00 O ATOM 0 H GLY A 44 -5.566 -11.144 -0.600 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.550 -11.790 1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.991 -12.340 1.895 1.00 0.00 H new ATOM 678 N HIS A 45 -4.522 -10.376 3.374 1.00 0.00 N ATOM 679 CA HIS A 45 -4.379 -9.326 4.376 1.00 0.00 C ATOM 680 C HIS A 45 -2.956 -8.777 4.388 1.00 0.00 C ATOM 681 O HIS A 45 -2.566 -8.056 5.306 1.00 0.00 O ATOM 682 CB HIS A 45 -4.743 -9.860 5.762 1.00 0.00 C ATOM 683 CG HIS A 45 -4.157 -11.206 6.058 1.00 0.00 C ATOM 684 ND1 HIS A 45 -4.910 -12.276 6.492 1.00 0.00 N ATOM 685 CD2 HIS A 45 -2.882 -11.653 5.979 1.00 0.00 C ATOM 686 CE1 HIS A 45 -4.124 -13.322 6.669 1.00 0.00 C ATOM 687 NE2 HIS A 45 -2.888 -12.971 6.364 1.00 0.00 N ATOM 0 H HIS A 45 -3.838 -11.129 3.451 1.00 0.00 H new ATOM 0 HA HIS A 45 -5.061 -8.516 4.117 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.403 -9.151 6.516 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.828 -9.919 5.846 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -2.020 -11.080 5.671 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.438 -14.299 7.006 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -2.071 -13.580 6.407 1.00 0.00 H new ATOM 696 N SER A 46 -2.184 -9.123 3.362 1.00 0.00 N ATOM 697 CA SER A 46 -0.803 -8.669 3.257 1.00 0.00 C ATOM 698 C SER A 46 -0.600 -7.835 1.995 1.00 0.00 C ATOM 699 O SER A 46 -1.400 -7.896 1.061 1.00 0.00 O ATOM 700 CB SER A 46 0.151 -9.866 3.249 1.00 0.00 C ATOM 701 OG SER A 46 0.356 -10.362 4.561 1.00 0.00 O ATOM 0 H SER A 46 -2.492 -9.716 2.592 1.00 0.00 H new ATOM 0 HA SER A 46 -0.585 -8.045 4.124 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.256 -10.656 2.618 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.106 -9.571 2.815 1.00 0.00 H new ATOM 0 HG SER A 46 0.967 -11.127 4.530 1.00 0.00 H new ATOM 707 N LEU A 47 0.476 -7.055 1.976 1.00 0.00 N ATOM 708 CA LEU A 47 0.786 -6.208 0.830 1.00 0.00 C ATOM 709 C LEU A 47 2.182 -6.506 0.294 1.00 0.00 C ATOM 710 O LEU A 47 3.180 -6.309 0.989 1.00 0.00 O ATOM 711 CB LEU A 47 0.680 -4.732 1.219 1.00 0.00 C ATOM 712 CG LEU A 47 -0.692 -4.084 1.031 1.00 0.00 C ATOM 713 CD1 LEU A 47 -0.727 -2.710 1.682 1.00 0.00 C ATOM 714 CD2 LEU A 47 -1.037 -3.985 -0.448 1.00 0.00 C ATOM 0 H LEU A 47 1.148 -6.992 2.741 1.00 0.00 H new ATOM 0 HA LEU A 47 0.062 -6.423 0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.966 -4.632 2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.408 -4.170 0.634 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.439 -4.712 1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.711 -2.264 1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.525 -2.808 2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.030 -2.072 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.017 -3.521 -0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.287 -3.379 -0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.055 -4.983 -0.885 1.00 0.00 H new ATOM 726 N TYR A 48 2.246 -6.979 -0.945 1.00 0.00 N ATOM 727 CA TYR A 48 3.520 -7.304 -1.575 1.00 0.00 C ATOM 728 C TYR A 48 3.894 -6.258 -2.620 1.00 0.00 C ATOM 729 O TYR A 48 3.228 -6.123 -3.648 1.00 0.00 O ATOM 730 CB TYR A 48 3.454 -8.688 -2.223 1.00 0.00 C ATOM 731 CG TYR A 48 3.150 -9.801 -1.246 1.00 0.00 C ATOM 732 CD1 TYR A 48 4.109 -10.240 -0.342 1.00 0.00 C ATOM 733 CD2 TYR A 48 1.902 -10.412 -1.226 1.00 0.00 C ATOM 734 CE1 TYR A 48 3.836 -11.257 0.552 1.00 0.00 C ATOM 735 CE2 TYR A 48 1.619 -11.429 -0.334 1.00 0.00 C ATOM 736 CZ TYR A 48 2.590 -11.848 0.553 1.00 0.00 C ATOM 737 OH TYR A 48 2.313 -12.860 1.443 1.00 0.00 O ATOM 0 H TYR A 48 1.430 -7.146 -1.534 1.00 0.00 H new ATOM 0 HA TYR A 48 4.288 -7.309 -0.801 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.690 -8.680 -3.000 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.405 -8.896 -2.713 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.085 -9.778 -0.338 1.00 0.00 H new ATOM 0 HD2 TYR A 48 1.140 -10.087 -1.919 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.594 -11.588 1.246 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.644 -11.893 -0.331 1.00 0.00 H new ATOM 0 HH TYR A 48 1.391 -13.166 1.313 1.00 0.00 H new ATOM 747 N LEU A 49 4.965 -5.519 -2.351 1.00 0.00 N ATOM 748 CA LEU A 49 5.430 -4.484 -3.267 1.00 0.00 C ATOM 749 C LEU A 49 6.559 -5.006 -4.151 1.00 0.00 C ATOM 750 O LEU A 49 7.308 -5.899 -3.754 1.00 0.00 O ATOM 751 CB LEU A 49 5.905 -3.258 -2.485 1.00 0.00 C ATOM 752 CG LEU A 49 4.926 -2.701 -1.451 1.00 0.00 C ATOM 753 CD1 LEU A 49 4.941 -3.550 -0.190 1.00 0.00 C ATOM 754 CD2 LEU A 49 5.261 -1.253 -1.125 1.00 0.00 C ATOM 0 H LEU A 49 5.527 -5.618 -1.506 1.00 0.00 H new ATOM 0 HA LEU A 49 4.595 -4.198 -3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.834 -3.514 -1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.140 -2.467 -3.197 1.00 0.00 H new ATOM 0 HG LEU A 49 3.922 -2.734 -1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.238 -3.138 0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.652 -4.572 -0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.944 -3.550 0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.554 -0.873 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.272 -1.195 -0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.197 -0.652 -2.032 1.00 0.00 H new ATOM 766 N TYR A 50 6.675 -4.442 -5.348 1.00 0.00 N ATOM 767 CA TYR A 50 7.713 -4.851 -6.287 1.00 0.00 C ATOM 768 C TYR A 50 8.267 -3.648 -7.044 1.00 0.00 C ATOM 769 O TYR A 50 7.515 -2.792 -7.510 1.00 0.00 O ATOM 770 CB TYR A 50 7.158 -5.878 -7.276 1.00 0.00 C ATOM 771 CG TYR A 50 6.705 -7.164 -6.623 1.00 0.00 C ATOM 772 CD1 TYR A 50 5.511 -7.222 -5.913 1.00 0.00 C ATOM 773 CD2 TYR A 50 7.470 -8.320 -6.714 1.00 0.00 C ATOM 774 CE1 TYR A 50 5.093 -8.395 -5.314 1.00 0.00 C ATOM 775 CE2 TYR A 50 7.059 -9.497 -6.119 1.00 0.00 C ATOM 776 CZ TYR A 50 5.870 -9.530 -5.420 1.00 0.00 C ATOM 777 OH TYR A 50 5.458 -10.700 -4.825 1.00 0.00 O ATOM 0 H TYR A 50 6.064 -3.701 -5.691 1.00 0.00 H new ATOM 0 HA TYR A 50 8.525 -5.305 -5.718 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.318 -5.437 -7.812 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.924 -6.107 -8.017 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.900 -6.335 -5.828 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.402 -8.298 -7.259 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.163 -8.423 -4.766 1.00 0.00 H new ATOM 0 HE2 TYR A 50 7.665 -10.387 -6.201 1.00 0.00 H new ATOM 0 HH TYR A 50 6.118 -11.404 -4.996 1.00 0.00 H new ATOM 787 N LYS A 51 9.589 -3.590 -7.163 1.00 0.00 N ATOM 788 CA LYS A 51 10.247 -2.494 -7.865 1.00 0.00 C ATOM 789 C LYS A 51 9.616 -2.268 -9.234 1.00 0.00 C ATOM 790 O LYS A 51 9.617 -1.150 -9.752 1.00 0.00 O ATOM 791 CB LYS A 51 11.741 -2.787 -8.022 1.00 0.00 C ATOM 792 CG LYS A 51 12.590 -2.246 -6.884 1.00 0.00 C ATOM 793 CD LYS A 51 12.758 -0.739 -6.981 1.00 0.00 C ATOM 794 CE LYS A 51 13.924 -0.253 -6.135 1.00 0.00 C ATOM 795 NZ LYS A 51 15.236 -0.565 -6.767 1.00 0.00 N ATOM 0 H LYS A 51 10.226 -4.289 -6.782 1.00 0.00 H new ATOM 0 HA LYS A 51 10.120 -1.588 -7.273 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.886 -3.865 -8.092 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.090 -2.357 -8.961 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.127 -2.501 -5.931 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.569 -2.724 -6.901 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.919 -0.456 -8.021 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.841 -0.248 -6.655 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.840 0.823 -5.985 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.876 -0.717 -5.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 15.993 -0.061 -6.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.410 -1.589 -6.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.223 -0.263 -7.762 1.00 0.00 H new ATOM 809 N ASP A 52 9.077 -3.334 -9.816 1.00 0.00 N ATOM 810 CA ASP A 52 8.439 -3.250 -11.125 1.00 0.00 C ATOM 811 C ASP A 52 7.519 -4.444 -11.358 1.00 0.00 C ATOM 812 O ASP A 52 7.902 -5.591 -11.129 1.00 0.00 O ATOM 813 CB ASP A 52 9.497 -3.182 -12.227 1.00 0.00 C ATOM 814 CG ASP A 52 10.656 -4.127 -11.977 1.00 0.00 C ATOM 815 OD1 ASP A 52 10.455 -5.138 -11.272 1.00 0.00 O ATOM 816 OD2 ASP A 52 11.764 -3.854 -12.484 1.00 0.00 O ATOM 0 H ASP A 52 9.069 -4.266 -9.402 1.00 0.00 H new ATOM 0 HA ASP A 52 7.838 -2.341 -11.152 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.036 -3.423 -13.185 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.874 -2.162 -12.302 1.00 0.00 H new ATOM 821 N LYS A 53 6.302 -4.166 -11.815 1.00 0.00 N ATOM 822 CA LYS A 53 5.326 -5.217 -12.080 1.00 0.00 C ATOM 823 C LYS A 53 5.994 -6.433 -12.714 1.00 0.00 C ATOM 824 O LYS A 53 5.882 -7.549 -12.207 1.00 0.00 O ATOM 825 CB LYS A 53 4.219 -4.692 -12.997 1.00 0.00 C ATOM 826 CG LYS A 53 3.034 -5.635 -13.121 1.00 0.00 C ATOM 827 CD LYS A 53 1.855 -4.962 -13.803 1.00 0.00 C ATOM 828 CE LYS A 53 0.676 -5.912 -13.943 1.00 0.00 C ATOM 829 NZ LYS A 53 0.746 -6.701 -15.203 1.00 0.00 N ATOM 0 H LYS A 53 5.968 -3.222 -12.009 1.00 0.00 H new ATOM 0 HA LYS A 53 4.888 -5.521 -11.129 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.870 -3.731 -12.618 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.635 -4.512 -13.988 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.328 -6.518 -13.688 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.735 -5.978 -12.130 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.552 -4.087 -13.228 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.157 -4.608 -14.788 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.653 -6.591 -13.090 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.253 -5.343 -13.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.075 -7.336 -15.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.742 -6.055 -16.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.620 -7.264 -15.212 1.00 0.00 H new ATOM 843 N ARG A 54 6.688 -6.208 -13.825 1.00 0.00 N ATOM 844 CA ARG A 54 7.374 -7.286 -14.527 1.00 0.00 C ATOM 845 C ARG A 54 8.516 -7.845 -13.684 1.00 0.00 C ATOM 846 O ARG A 54 8.857 -7.291 -12.639 1.00 0.00 O ATOM 847 CB ARG A 54 7.914 -6.787 -15.869 1.00 0.00 C ATOM 848 CG ARG A 54 8.833 -5.582 -15.745 1.00 0.00 C ATOM 849 CD ARG A 54 9.169 -4.996 -17.108 1.00 0.00 C ATOM 850 NE ARG A 54 10.387 -4.192 -17.072 1.00 0.00 N ATOM 851 CZ ARG A 54 10.974 -3.698 -18.156 1.00 0.00 C ATOM 852 NH1 ARG A 54 10.457 -3.925 -19.356 1.00 0.00 N ATOM 853 NH2 ARG A 54 12.081 -2.975 -18.042 1.00 0.00 N ATOM 0 H ARG A 54 6.790 -5.290 -14.258 1.00 0.00 H new ATOM 0 HA ARG A 54 6.654 -8.084 -14.706 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.455 -7.597 -16.357 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.075 -6.529 -16.515 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.356 -4.821 -15.128 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.752 -5.874 -15.237 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.289 -5.803 -17.830 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.338 -4.380 -17.453 1.00 0.00 H new ATOM 0 HE ARG A 54 10.810 -3.999 -16.164 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.606 -4.480 -19.448 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.910 -3.544 -20.187 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.482 -2.798 -17.121 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.531 -2.596 -18.875 1.00 0.00 H new ATOM 867 N GLU A 55 9.102 -8.945 -14.145 1.00 0.00 N ATOM 868 CA GLU A 55 10.205 -9.579 -13.432 1.00 0.00 C ATOM 869 C GLU A 55 10.008 -9.474 -11.922 1.00 0.00 C ATOM 870 O GLU A 55 10.877 -8.977 -11.207 1.00 0.00 O ATOM 871 CB GLU A 55 11.535 -8.937 -13.830 1.00 0.00 C ATOM 872 CG GLU A 55 11.614 -7.453 -13.510 1.00 0.00 C ATOM 873 CD GLU A 55 12.830 -6.788 -14.125 1.00 0.00 C ATOM 874 OE1 GLU A 55 13.074 -6.995 -15.332 1.00 0.00 O ATOM 875 OE2 GLU A 55 13.538 -6.060 -13.399 1.00 0.00 O ATOM 0 H GLU A 55 8.832 -9.416 -15.009 1.00 0.00 H new ATOM 0 HA GLU A 55 10.223 -10.634 -13.706 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.346 -9.454 -13.318 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.692 -9.078 -14.899 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.712 -6.959 -13.871 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.639 -7.319 -12.429 1.00 0.00 H new ATOM 882 N GLN A 56 8.860 -9.946 -11.447 1.00 0.00 N ATOM 883 CA GLN A 56 8.548 -9.905 -10.023 1.00 0.00 C ATOM 884 C GLN A 56 9.732 -10.390 -9.193 1.00 0.00 C ATOM 885 O GLN A 56 9.829 -10.097 -8.000 1.00 0.00 O ATOM 886 CB GLN A 56 7.315 -10.759 -9.724 1.00 0.00 C ATOM 887 CG GLN A 56 6.004 -10.087 -10.100 1.00 0.00 C ATOM 888 CD GLN A 56 5.844 -8.722 -9.460 1.00 0.00 C ATOM 889 OE1 GLN A 56 6.462 -7.747 -9.888 1.00 0.00 O ATOM 890 NE2 GLN A 56 5.011 -8.645 -8.429 1.00 0.00 N ATOM 0 H GLN A 56 8.131 -10.361 -12.027 1.00 0.00 H new ATOM 0 HA GLN A 56 8.337 -8.870 -9.752 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.398 -11.703 -10.263 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.299 -10.999 -8.661 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.950 -9.985 -11.184 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.173 -10.725 -9.799 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.519 -9.479 -8.107 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.863 -7.752 -7.959 1.00 0.00 H new ATOM 899 N THR A 57 10.630 -11.135 -9.830 1.00 0.00 N ATOM 900 CA THR A 57 11.806 -11.663 -9.150 1.00 0.00 C ATOM 901 C THR A 57 12.842 -10.570 -8.915 1.00 0.00 C ATOM 902 O THR A 57 14.004 -10.709 -9.297 1.00 0.00 O ATOM 903 CB THR A 57 12.454 -12.805 -9.954 1.00 0.00 C ATOM 904 OG1 THR A 57 11.454 -13.510 -10.699 1.00 0.00 O ATOM 905 CG2 THR A 57 13.181 -13.772 -9.032 1.00 0.00 C ATOM 0 H THR A 57 10.565 -11.386 -10.816 1.00 0.00 H new ATOM 0 HA THR A 57 11.468 -12.052 -8.189 1.00 0.00 H new ATOM 0 HB THR A 57 13.179 -12.369 -10.642 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.875 -14.233 -11.209 1.00 0.00 H new ATOM 0 HG21 THR A 57 13.630 -14.570 -9.623 1.00 0.00 H new ATOM 0 HG22 THR A 57 13.961 -13.239 -8.488 1.00 0.00 H new ATOM 0 HG23 THR A 57 12.473 -14.201 -8.323 1.00 0.00 H new ATOM 913 N THR A 58 12.414 -9.482 -8.283 1.00 0.00 N ATOM 914 CA THR A 58 13.305 -8.364 -7.997 1.00 0.00 C ATOM 915 C THR A 58 14.055 -8.579 -6.687 1.00 0.00 C ATOM 916 O THR A 58 13.618 -9.323 -5.809 1.00 0.00 O ATOM 917 CB THR A 58 12.531 -7.034 -7.920 1.00 0.00 C ATOM 918 OG1 THR A 58 11.316 -7.217 -7.186 1.00 0.00 O ATOM 919 CG2 THR A 58 12.215 -6.511 -9.313 1.00 0.00 C ATOM 0 H THR A 58 11.456 -9.351 -7.959 1.00 0.00 H new ATOM 0 HA THR A 58 14.021 -8.313 -8.818 1.00 0.00 H new ATOM 0 HB THR A 58 13.157 -6.303 -7.408 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.830 -6.367 -7.140 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.668 -5.571 -9.234 1.00 0.00 H new ATOM 0 HG22 THR A 58 13.144 -6.345 -9.859 1.00 0.00 H new ATOM 0 HG23 THR A 58 11.606 -7.241 -9.846 1.00 0.00 H new ATOM 927 N PRO A 59 15.211 -7.913 -6.550 1.00 0.00 N ATOM 928 CA PRO A 59 16.045 -8.015 -5.349 1.00 0.00 C ATOM 929 C PRO A 59 15.402 -7.346 -4.138 1.00 0.00 C ATOM 930 O PRO A 59 15.758 -7.635 -2.996 1.00 0.00 O ATOM 931 CB PRO A 59 17.329 -7.283 -5.746 1.00 0.00 C ATOM 932 CG PRO A 59 16.908 -6.330 -6.811 1.00 0.00 C ATOM 933 CD PRO A 59 15.792 -7.009 -7.556 1.00 0.00 C ATOM 0 HA PRO A 59 16.204 -9.051 -5.050 1.00 0.00 H new ATOM 0 HB2 PRO A 59 17.765 -6.759 -4.896 1.00 0.00 H new ATOM 0 HB3 PRO A 59 18.084 -7.978 -6.113 1.00 0.00 H new ATOM 0 HG2 PRO A 59 16.572 -5.387 -6.380 1.00 0.00 H new ATOM 0 HG3 PRO A 59 17.738 -6.098 -7.478 1.00 0.00 H new ATOM 0 HD2 PRO A 59 15.058 -6.291 -7.922 1.00 0.00 H new ATOM 0 HD3 PRO A 59 16.162 -7.557 -8.423 1.00 0.00 H new ATOM 941 N SER A 60 14.454 -6.452 -4.396 1.00 0.00 N ATOM 942 CA SER A 60 13.764 -5.739 -3.327 1.00 0.00 C ATOM 943 C SER A 60 12.671 -6.608 -2.712 1.00 0.00 C ATOM 944 O SER A 60 12.251 -6.384 -1.578 1.00 0.00 O ATOM 945 CB SER A 60 13.158 -4.440 -3.860 1.00 0.00 C ATOM 946 OG SER A 60 11.897 -4.674 -4.463 1.00 0.00 O ATOM 0 H SER A 60 14.146 -6.204 -5.336 1.00 0.00 H new ATOM 0 HA SER A 60 14.494 -5.501 -2.553 1.00 0.00 H new ATOM 0 HB2 SER A 60 13.047 -3.725 -3.044 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.835 -3.991 -4.587 1.00 0.00 H new ATOM 0 HG SER A 60 11.333 -3.879 -4.361 1.00 0.00 H new ATOM 952 N GLU A 61 12.217 -7.601 -3.470 1.00 0.00 N ATOM 953 CA GLU A 61 11.172 -8.504 -3.000 1.00 0.00 C ATOM 954 C GLU A 61 11.304 -8.755 -1.501 1.00 0.00 C ATOM 955 O GLU A 61 10.309 -8.955 -0.805 1.00 0.00 O ATOM 956 CB GLU A 61 11.236 -9.832 -3.758 1.00 0.00 C ATOM 957 CG GLU A 61 10.875 -9.711 -5.229 1.00 0.00 C ATOM 958 CD GLU A 61 11.133 -10.991 -6.000 1.00 0.00 C ATOM 959 OE1 GLU A 61 12.309 -11.260 -6.325 1.00 0.00 O ATOM 960 OE2 GLU A 61 10.161 -11.723 -6.278 1.00 0.00 O ATOM 0 H GLU A 61 12.556 -7.801 -4.411 1.00 0.00 H new ATOM 0 HA GLU A 61 10.208 -8.032 -3.189 1.00 0.00 H new ATOM 0 HB2 GLU A 61 12.242 -10.242 -3.672 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.560 -10.544 -3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.823 -9.442 -5.320 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.451 -8.900 -5.675 1.00 0.00 H new ATOM 967 N GLU A 62 12.540 -8.743 -1.011 1.00 0.00 N ATOM 968 CA GLU A 62 12.802 -8.970 0.405 1.00 0.00 C ATOM 969 C GLU A 62 11.808 -8.203 1.272 1.00 0.00 C ATOM 970 O GLU A 62 11.195 -8.768 2.177 1.00 0.00 O ATOM 971 CB GLU A 62 14.232 -8.551 0.756 1.00 0.00 C ATOM 972 CG GLU A 62 15.261 -9.644 0.524 1.00 0.00 C ATOM 973 CD GLU A 62 16.624 -9.290 1.087 1.00 0.00 C ATOM 974 OE1 GLU A 62 16.727 -9.102 2.317 1.00 0.00 O ATOM 975 OE2 GLU A 62 17.588 -9.202 0.297 1.00 0.00 O ATOM 0 H GLU A 62 13.375 -8.579 -1.574 1.00 0.00 H new ATOM 0 HA GLU A 62 12.684 -10.035 0.604 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.502 -7.678 0.162 1.00 0.00 H new ATOM 0 HB3 GLU A 62 14.266 -8.248 1.802 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.912 -10.570 0.982 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.351 -9.832 -0.546 1.00 0.00 H new ATOM 982 N GLU A 63 11.656 -6.913 0.989 1.00 0.00 N ATOM 983 CA GLU A 63 10.738 -6.069 1.744 1.00 0.00 C ATOM 984 C GLU A 63 9.520 -6.865 2.203 1.00 0.00 C ATOM 985 O GLU A 63 8.568 -7.054 1.447 1.00 0.00 O ATOM 986 CB GLU A 63 10.291 -4.877 0.895 1.00 0.00 C ATOM 987 CG GLU A 63 11.184 -3.657 1.040 1.00 0.00 C ATOM 988 CD GLU A 63 12.501 -3.807 0.303 1.00 0.00 C ATOM 989 OE1 GLU A 63 12.531 -3.548 -0.918 1.00 0.00 O ATOM 990 OE2 GLU A 63 13.502 -4.183 0.948 1.00 0.00 O ATOM 0 H GLU A 63 12.157 -6.430 0.243 1.00 0.00 H new ATOM 0 HA GLU A 63 11.264 -5.702 2.625 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.267 -5.177 -0.153 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.272 -4.606 1.172 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.659 -2.780 0.662 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.382 -3.480 2.097 1.00 0.00 H new ATOM 997 N GLN A 64 9.559 -7.329 3.448 1.00 0.00 N ATOM 998 CA GLN A 64 8.460 -8.106 4.009 1.00 0.00 C ATOM 999 C GLN A 64 7.123 -7.415 3.760 1.00 0.00 C ATOM 1000 O GLN A 64 7.030 -6.188 3.710 1.00 0.00 O ATOM 1001 CB GLN A 64 8.668 -8.315 5.509 1.00 0.00 C ATOM 1002 CG GLN A 64 8.118 -7.184 6.363 1.00 0.00 C ATOM 1003 CD GLN A 64 8.273 -7.446 7.849 1.00 0.00 C ATOM 1004 OE1 GLN A 64 8.438 -8.589 8.275 1.00 0.00 O ATOM 1005 NE2 GLN A 64 8.220 -6.385 8.646 1.00 0.00 N ATOM 0 H GLN A 64 10.340 -7.180 4.087 1.00 0.00 H new ATOM 0 HA GLN A 64 8.445 -9.077 3.514 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.191 -9.249 5.807 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.734 -8.424 5.708 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.631 -6.257 6.106 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.063 -7.039 6.132 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.082 -5.456 8.249 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.318 -6.500 9.655 1.00 0.00 H new ATOM 1014 N PRO A 65 6.061 -8.219 3.600 1.00 0.00 N ATOM 1015 CA PRO A 65 4.710 -7.707 3.354 1.00 0.00 C ATOM 1016 C PRO A 65 4.122 -7.011 4.577 1.00 0.00 C ATOM 1017 O PRO A 65 4.369 -7.419 5.713 1.00 0.00 O ATOM 1018 CB PRO A 65 3.909 -8.967 3.018 1.00 0.00 C ATOM 1019 CG PRO A 65 4.645 -10.074 3.689 1.00 0.00 C ATOM 1020 CD PRO A 65 6.098 -9.690 3.647 1.00 0.00 C ATOM 0 HA PRO A 65 4.696 -6.954 2.566 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.885 -8.894 3.383 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.853 -9.125 1.941 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.305 -10.202 4.717 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.477 -11.021 3.177 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.634 -10.051 4.525 1.00 0.00 H new ATOM 0 HD3 PRO A 65 6.599 -10.107 2.774 1.00 0.00 H new ATOM 1028 N ILE A 66 3.345 -5.961 4.338 1.00 0.00 N ATOM 1029 CA ILE A 66 2.721 -5.211 5.421 1.00 0.00 C ATOM 1030 C ILE A 66 1.294 -5.689 5.671 1.00 0.00 C ATOM 1031 O ILE A 66 0.404 -5.476 4.847 1.00 0.00 O ATOM 1032 CB ILE A 66 2.699 -3.701 5.120 1.00 0.00 C ATOM 1033 CG1 ILE A 66 4.115 -3.194 4.839 1.00 0.00 C ATOM 1034 CG2 ILE A 66 2.079 -2.938 6.282 1.00 0.00 C ATOM 1035 CD1 ILE A 66 4.156 -2.002 3.908 1.00 0.00 C ATOM 0 H ILE A 66 3.132 -5.610 3.404 1.00 0.00 H new ATOM 0 HA ILE A 66 3.322 -5.387 6.313 1.00 0.00 H new ATOM 0 HB ILE A 66 2.089 -3.532 4.232 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.590 -2.924 5.782 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.703 -4.003 4.406 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.071 -1.872 6.054 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.057 -3.283 6.440 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.665 -3.111 7.185 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.191 -1.696 3.754 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.711 -2.273 2.951 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.596 -1.177 4.348 1.00 0.00 H new ATOM 1047 N SER A 67 1.084 -6.335 6.813 1.00 0.00 N ATOM 1048 CA SER A 67 -0.235 -6.845 7.171 1.00 0.00 C ATOM 1049 C SER A 67 -1.226 -5.702 7.363 1.00 0.00 C ATOM 1050 O SER A 67 -1.119 -4.925 8.312 1.00 0.00 O ATOM 1051 CB SER A 67 -0.151 -7.683 8.448 1.00 0.00 C ATOM 1052 OG SER A 67 -1.403 -8.272 8.755 1.00 0.00 O ATOM 0 H SER A 67 1.810 -6.518 7.506 1.00 0.00 H new ATOM 0 HA SER A 67 -0.588 -7.475 6.354 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.601 -8.463 8.326 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.172 -7.055 9.278 1.00 0.00 H new ATOM 0 HG SER A 67 -1.322 -8.803 9.574 1.00 0.00 H new ATOM 1058 N VAL A 68 -2.191 -5.605 6.454 1.00 0.00 N ATOM 1059 CA VAL A 68 -3.203 -4.557 6.523 1.00 0.00 C ATOM 1060 C VAL A 68 -4.430 -5.028 7.296 1.00 0.00 C ATOM 1061 O VAL A 68 -5.337 -4.246 7.577 1.00 0.00 O ATOM 1062 CB VAL A 68 -3.639 -4.106 5.116 1.00 0.00 C ATOM 1063 CG1 VAL A 68 -2.437 -3.649 4.305 1.00 0.00 C ATOM 1064 CG2 VAL A 68 -4.380 -5.227 4.403 1.00 0.00 C ATOM 0 H VAL A 68 -2.293 -6.239 5.662 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.751 -3.713 7.044 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.319 -3.261 5.219 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.765 -3.334 3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.954 -2.813 4.810 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.729 -4.472 4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.681 -4.891 3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.726 -6.094 4.310 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.265 -5.501 4.977 1.00 0.00 H new ATOM 1074 N ASN A 69 -4.449 -6.312 7.639 1.00 0.00 N ATOM 1075 CA ASN A 69 -5.565 -6.888 8.381 1.00 0.00 C ATOM 1076 C ASN A 69 -6.128 -5.884 9.383 1.00 0.00 C ATOM 1077 O ASN A 69 -7.337 -5.820 9.600 1.00 0.00 O ATOM 1078 CB ASN A 69 -5.119 -8.157 9.110 1.00 0.00 C ATOM 1079 CG ASN A 69 -6.289 -9.032 9.517 1.00 0.00 C ATOM 1080 OD1 ASN A 69 -6.555 -10.061 8.895 1.00 0.00 O ATOM 1081 ND2 ASN A 69 -6.995 -8.625 10.565 1.00 0.00 N ATOM 0 H ASN A 69 -3.705 -6.973 7.415 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.350 -7.143 7.669 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.450 -8.727 8.465 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.549 -7.882 9.997 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -7.794 -9.172 10.885 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.738 -7.765 11.050 1.00 0.00 H new ATOM 1088 N ALA A 70 -5.241 -5.102 9.990 1.00 0.00 N ATOM 1089 CA ALA A 70 -5.649 -4.100 10.967 1.00 0.00 C ATOM 1090 C ALA A 70 -4.936 -2.774 10.724 1.00 0.00 C ATOM 1091 O ALA A 70 -4.126 -2.335 11.541 1.00 0.00 O ATOM 1092 CB ALA A 70 -5.376 -4.597 12.379 1.00 0.00 C ATOM 0 H ALA A 70 -4.236 -5.143 9.822 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.720 -3.933 10.853 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.686 -3.838 13.098 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.936 -5.515 12.556 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.310 -4.794 12.496 1.00 0.00 H new ATOM 1098 N CYS A 71 -5.242 -2.142 9.596 1.00 0.00 N ATOM 1099 CA CYS A 71 -4.628 -0.866 9.245 1.00 0.00 C ATOM 1100 C CYS A 71 -5.667 0.251 9.232 1.00 0.00 C ATOM 1101 O CYS A 71 -6.854 0.013 9.456 1.00 0.00 O ATOM 1102 CB CYS A 71 -3.948 -0.963 7.878 1.00 0.00 C ATOM 1103 SG CYS A 71 -5.098 -1.124 6.492 1.00 0.00 S ATOM 0 H CYS A 71 -5.911 -2.492 8.910 1.00 0.00 H new ATOM 0 HA CYS A 71 -3.878 -0.631 10.000 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -3.334 -0.075 7.726 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -3.275 -1.820 7.879 1.00 0.00 H new ATOM 0 HG CYS A 71 -5.557 -2.340 6.448 1.00 0.00 H new ATOM 1109 N LEU A 72 -5.212 1.471 8.969 1.00 0.00 N ATOM 1110 CA LEU A 72 -6.101 2.627 8.929 1.00 0.00 C ATOM 1111 C LEU A 72 -5.804 3.500 7.714 1.00 0.00 C ATOM 1112 O LEU A 72 -4.750 4.131 7.633 1.00 0.00 O ATOM 1113 CB LEU A 72 -5.958 3.450 10.210 1.00 0.00 C ATOM 1114 CG LEU A 72 -6.287 2.725 11.515 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -5.740 3.494 12.706 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -7.790 2.526 11.650 1.00 0.00 C ATOM 0 H LEU A 72 -4.233 1.685 8.780 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.126 2.264 8.851 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.933 3.816 10.270 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.605 4.324 10.130 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.811 1.745 11.493 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.984 2.962 13.626 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.657 3.584 12.615 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.185 4.488 12.733 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.006 2.008 12.585 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.287 3.496 11.649 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.155 1.931 10.813 1.00 0.00 H new ATOM 1128 N ILE A 73 -6.741 3.532 6.772 1.00 0.00 N ATOM 1129 CA ILE A 73 -6.580 4.331 5.563 1.00 0.00 C ATOM 1130 C ILE A 73 -7.278 5.680 5.699 1.00 0.00 C ATOM 1131 O ILE A 73 -8.351 5.779 6.294 1.00 0.00 O ATOM 1132 CB ILE A 73 -7.138 3.600 4.327 1.00 0.00 C ATOM 1133 CG1 ILE A 73 -6.164 2.512 3.869 1.00 0.00 C ATOM 1134 CG2 ILE A 73 -7.405 4.588 3.202 1.00 0.00 C ATOM 1135 CD1 ILE A 73 -6.796 1.479 2.962 1.00 0.00 C ATOM 0 H ILE A 73 -7.619 3.015 6.823 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.510 4.490 5.429 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.081 3.126 4.598 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.329 2.979 3.348 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.753 2.011 4.745 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -7.799 4.056 2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.132 5.329 3.534 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.476 5.088 2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.048 0.739 2.677 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.613 0.985 3.487 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.183 1.968 2.068 1.00 0.00 H new ATOM 1147 N ASP A 74 -6.662 6.717 5.141 1.00 0.00 N ATOM 1148 CA ASP A 74 -7.224 8.061 5.197 1.00 0.00 C ATOM 1149 C ASP A 74 -6.631 8.944 4.104 1.00 0.00 C ATOM 1150 O ASP A 74 -5.415 9.118 4.025 1.00 0.00 O ATOM 1151 CB ASP A 74 -6.970 8.687 6.570 1.00 0.00 C ATOM 1152 CG ASP A 74 -7.773 8.018 7.668 1.00 0.00 C ATOM 1153 OD1 ASP A 74 -9.017 8.118 7.638 1.00 0.00 O ATOM 1154 OD2 ASP A 74 -7.157 7.396 8.559 1.00 0.00 O ATOM 0 H ASP A 74 -5.773 6.652 4.645 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.299 7.985 5.034 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.908 8.618 6.807 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.221 9.747 6.535 1.00 0.00 H new ATOM 1159 N ILE A 75 -7.498 9.498 3.263 1.00 0.00 N ATOM 1160 CA ILE A 75 -7.060 10.363 2.175 1.00 0.00 C ATOM 1161 C ILE A 75 -6.003 11.353 2.651 1.00 0.00 C ATOM 1162 O ILE A 75 -6.319 12.347 3.304 1.00 0.00 O ATOM 1163 CB ILE A 75 -8.240 11.143 1.565 1.00 0.00 C ATOM 1164 CG1 ILE A 75 -9.301 10.175 1.038 1.00 0.00 C ATOM 1165 CG2 ILE A 75 -7.751 12.058 0.452 1.00 0.00 C ATOM 1166 CD1 ILE A 75 -10.537 10.865 0.503 1.00 0.00 C ATOM 0 H ILE A 75 -8.508 9.363 3.314 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.630 9.715 1.411 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.691 11.759 2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.864 9.565 0.247 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.592 9.496 1.840 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.596 12.602 0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -7.027 12.767 0.855 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.279 11.461 -0.328 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.246 10.117 0.147 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -10.998 11.453 1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.259 11.523 -0.320 1.00 0.00 H new ATOM 1178 N SER A 76 -4.746 11.075 2.318 1.00 0.00 N ATOM 1179 CA SER A 76 -3.641 11.940 2.713 1.00 0.00 C ATOM 1180 C SER A 76 -4.022 13.410 2.565 1.00 0.00 C ATOM 1181 O SER A 76 -4.956 13.751 1.837 1.00 0.00 O ATOM 1182 CB SER A 76 -2.401 11.635 1.872 1.00 0.00 C ATOM 1183 OG SER A 76 -1.981 10.294 2.050 1.00 0.00 O ATOM 0 H SER A 76 -4.468 10.257 1.775 1.00 0.00 H new ATOM 0 HA SER A 76 -3.416 11.745 3.762 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.619 11.814 0.819 1.00 0.00 H new ATOM 0 HB3 SER A 76 -1.593 12.312 2.150 1.00 0.00 H new ATOM 0 HG SER A 76 -2.538 9.701 1.504 1.00 0.00 H new ATOM 1189 N TYR A 77 -3.293 14.277 3.258 1.00 0.00 N ATOM 1190 CA TYR A 77 -3.555 15.710 3.206 1.00 0.00 C ATOM 1191 C TYR A 77 -3.466 16.229 1.774 1.00 0.00 C ATOM 1192 O TYR A 77 -2.586 15.829 1.011 1.00 0.00 O ATOM 1193 CB TYR A 77 -2.564 16.463 4.095 1.00 0.00 C ATOM 1194 CG TYR A 77 -1.119 16.105 3.831 1.00 0.00 C ATOM 1195 CD1 TYR A 77 -0.546 14.977 4.406 1.00 0.00 C ATOM 1196 CD2 TYR A 77 -0.326 16.894 3.007 1.00 0.00 C ATOM 1197 CE1 TYR A 77 0.773 14.645 4.168 1.00 0.00 C ATOM 1198 CE2 TYR A 77 0.994 16.570 2.762 1.00 0.00 C ATOM 1199 CZ TYR A 77 1.540 15.444 3.345 1.00 0.00 C ATOM 1200 OH TYR A 77 2.855 15.119 3.104 1.00 0.00 O ATOM 0 H TYR A 77 -2.515 14.012 3.863 1.00 0.00 H new ATOM 0 HA TYR A 77 -4.567 15.882 3.573 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.697 17.535 3.946 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.796 16.255 5.140 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.143 14.349 5.051 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -0.749 17.776 2.550 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.202 13.765 4.624 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.596 17.194 2.118 1.00 0.00 H new ATOM 0 HH TYR A 77 3.252 15.784 2.503 1.00 0.00 H new ATOM 1210 N SER A 78 -4.383 17.122 1.417 1.00 0.00 N ATOM 1211 CA SER A 78 -4.412 17.693 0.076 1.00 0.00 C ATOM 1212 C SER A 78 -3.141 18.491 -0.202 1.00 0.00 C ATOM 1213 O SER A 78 -2.548 18.379 -1.274 1.00 0.00 O ATOM 1214 CB SER A 78 -5.639 18.592 -0.092 1.00 0.00 C ATOM 1215 OG SER A 78 -6.837 17.841 -0.004 1.00 0.00 O ATOM 0 H SER A 78 -5.116 17.466 2.038 1.00 0.00 H new ATOM 0 HA SER A 78 -4.470 16.873 -0.640 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.634 19.366 0.675 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.593 19.098 -1.056 1.00 0.00 H new ATOM 0 HG SER A 78 -7.606 18.438 -0.113 1.00 0.00 H new ATOM 1221 N GLU A 79 -2.730 19.296 0.773 1.00 0.00 N ATOM 1222 CA GLU A 79 -1.531 20.113 0.633 1.00 0.00 C ATOM 1223 C GLU A 79 -0.419 19.333 -0.063 1.00 0.00 C ATOM 1224 O GLU A 79 0.456 19.915 -0.704 1.00 0.00 O ATOM 1225 CB GLU A 79 -1.051 20.593 2.005 1.00 0.00 C ATOM 1226 CG GLU A 79 -1.785 21.823 2.511 1.00 0.00 C ATOM 1227 CD GLU A 79 -3.291 21.694 2.391 1.00 0.00 C ATOM 1228 OE1 GLU A 79 -3.779 21.455 1.266 1.00 0.00 O ATOM 1229 OE2 GLU A 79 -3.982 21.831 3.422 1.00 0.00 O ATOM 0 H GLU A 79 -3.209 19.400 1.667 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.782 20.979 0.020 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.173 19.785 2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.015 20.813 1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.521 21.996 3.554 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.453 22.696 1.950 1.00 0.00 H new ATOM 1236 N THR A 80 -0.460 18.011 0.069 1.00 0.00 N ATOM 1237 CA THR A 80 0.543 17.150 -0.544 1.00 0.00 C ATOM 1238 C THR A 80 0.570 17.329 -2.058 1.00 0.00 C ATOM 1239 O THR A 80 -0.402 17.019 -2.748 1.00 0.00 O ATOM 1240 CB THR A 80 0.286 15.667 -0.219 1.00 0.00 C ATOM 1241 OG1 THR A 80 1.444 14.888 -0.537 1.00 0.00 O ATOM 1242 CG2 THR A 80 -0.913 15.143 -0.994 1.00 0.00 C ATOM 0 H THR A 80 -1.178 17.513 0.596 1.00 0.00 H new ATOM 0 HA THR A 80 1.507 17.443 -0.128 1.00 0.00 H new ATOM 0 HB THR A 80 0.074 15.583 0.847 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.273 13.946 -0.326 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.075 14.094 -0.748 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.799 15.719 -0.727 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.726 15.240 -2.063 1.00 0.00 H new ATOM 1250 N LYS A 81 1.688 17.832 -2.570 1.00 0.00 N ATOM 1251 CA LYS A 81 1.843 18.051 -4.003 1.00 0.00 C ATOM 1252 C LYS A 81 1.202 16.919 -4.799 1.00 0.00 C ATOM 1253 O LYS A 81 0.498 17.158 -5.780 1.00 0.00 O ATOM 1254 CB LYS A 81 3.325 18.167 -4.365 1.00 0.00 C ATOM 1255 CG LYS A 81 3.588 19.041 -5.579 1.00 0.00 C ATOM 1256 CD LYS A 81 5.063 19.057 -5.946 1.00 0.00 C ATOM 1257 CE LYS A 81 5.272 19.466 -7.396 1.00 0.00 C ATOM 1258 NZ LYS A 81 5.120 18.313 -8.325 1.00 0.00 N ATOM 0 H LYS A 81 2.501 18.096 -2.013 1.00 0.00 H new ATOM 0 HA LYS A 81 1.339 18.983 -4.259 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.868 18.572 -3.511 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.724 17.170 -4.552 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.006 18.675 -6.425 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.252 20.058 -5.376 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.594 19.748 -5.292 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.491 18.068 -5.780 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.555 20.243 -7.661 1.00 0.00 H new ATOM 0 HE3 LYS A 81 6.266 19.897 -7.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.270 18.633 -9.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.821 17.582 -8.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.163 17.917 -8.233 1.00 0.00 H new ATOM 1272 N ARG A 82 1.449 15.686 -4.369 1.00 0.00 N ATOM 1273 CA ARG A 82 0.895 14.517 -5.042 1.00 0.00 C ATOM 1274 C ARG A 82 -0.617 14.645 -5.199 1.00 0.00 C ATOM 1275 O ARG A 82 -1.229 15.580 -4.681 1.00 0.00 O ATOM 1276 CB ARG A 82 1.231 13.245 -4.260 1.00 0.00 C ATOM 1277 CG ARG A 82 2.717 13.073 -3.987 1.00 0.00 C ATOM 1278 CD ARG A 82 3.421 12.387 -5.147 1.00 0.00 C ATOM 1279 NE ARG A 82 3.828 13.337 -6.179 1.00 0.00 N ATOM 1280 CZ ARG A 82 4.775 14.252 -6.002 1.00 0.00 C ATOM 1281 NH1 ARG A 82 5.409 14.340 -4.841 1.00 0.00 N ATOM 1282 NH2 ARG A 82 5.090 15.082 -6.989 1.00 0.00 N ATOM 0 H ARG A 82 2.029 15.471 -3.558 1.00 0.00 H new ATOM 0 HA ARG A 82 1.342 14.455 -6.034 1.00 0.00 H new ATOM 0 HB2 ARG A 82 0.695 13.260 -3.311 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.870 12.380 -4.817 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.171 14.048 -3.810 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.856 12.487 -3.078 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.298 11.857 -4.776 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.758 11.640 -5.583 1.00 0.00 H new ATOM 0 HE ARG A 82 3.360 13.296 -7.084 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.170 13.704 -4.080 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.135 15.044 -4.709 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.605 15.018 -7.884 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.817 15.784 -6.852 1.00 0.00 H new ATOM 1296 N LYS A 83 -1.215 13.700 -5.917 1.00 0.00 N ATOM 1297 CA LYS A 83 -2.655 13.706 -6.142 1.00 0.00 C ATOM 1298 C LYS A 83 -3.252 12.326 -5.885 1.00 0.00 C ATOM 1299 O LYS A 83 -2.578 11.309 -6.045 1.00 0.00 O ATOM 1300 CB LYS A 83 -2.966 14.149 -7.574 1.00 0.00 C ATOM 1301 CG LYS A 83 -2.451 15.539 -7.906 1.00 0.00 C ATOM 1302 CD LYS A 83 -2.761 15.920 -9.344 1.00 0.00 C ATOM 1303 CE LYS A 83 -4.203 16.375 -9.502 1.00 0.00 C ATOM 1304 NZ LYS A 83 -4.507 16.780 -10.902 1.00 0.00 N ATOM 0 H LYS A 83 -0.724 12.920 -6.353 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.104 14.412 -5.444 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.529 13.433 -8.270 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.045 14.124 -7.727 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.902 16.266 -7.231 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.374 15.578 -7.743 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.090 16.718 -9.663 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.574 15.067 -9.996 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.873 15.569 -9.204 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.395 17.213 -8.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.500 17.083 -10.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.885 17.567 -11.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.349 15.973 -11.539 1.00 0.00 H new ATOM 1318 N ASN A 84 -4.520 12.299 -5.488 1.00 0.00 N ATOM 1319 CA ASN A 84 -5.207 11.043 -5.210 1.00 0.00 C ATOM 1320 C ASN A 84 -4.328 10.115 -4.376 1.00 0.00 C ATOM 1321 O ASN A 84 -4.095 8.964 -4.746 1.00 0.00 O ATOM 1322 CB ASN A 84 -5.600 10.352 -6.518 1.00 0.00 C ATOM 1323 CG ASN A 84 -6.195 11.317 -7.525 1.00 0.00 C ATOM 1324 OD1 ASN A 84 -7.322 11.783 -7.363 1.00 0.00 O ATOM 1325 ND2 ASN A 84 -5.437 11.620 -8.573 1.00 0.00 N ATOM 0 H ASN A 84 -5.092 13.132 -5.352 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.109 11.269 -4.641 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.721 9.874 -6.952 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.320 9.562 -6.306 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.784 12.263 -9.284 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -4.508 11.209 -8.666 1.00 0.00 H new ATOM 1332 N VAL A 85 -3.844 10.624 -3.248 1.00 0.00 N ATOM 1333 CA VAL A 85 -2.993 9.841 -2.359 1.00 0.00 C ATOM 1334 C VAL A 85 -3.724 9.486 -1.070 1.00 0.00 C ATOM 1335 O VAL A 85 -4.356 10.339 -0.446 1.00 0.00 O ATOM 1336 CB VAL A 85 -1.699 10.599 -2.011 1.00 0.00 C ATOM 1337 CG1 VAL A 85 -0.860 9.799 -1.026 1.00 0.00 C ATOM 1338 CG2 VAL A 85 -0.906 10.908 -3.272 1.00 0.00 C ATOM 0 H VAL A 85 -4.026 11.575 -2.928 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.737 8.925 -2.891 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.968 11.544 -1.539 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.051 10.350 -0.792 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.430 9.635 -0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.598 8.838 -1.468 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.005 11.444 -3.007 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.646 9.977 -3.775 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.509 11.525 -3.939 1.00 0.00 H new ATOM 1348 N PHE A 86 -3.635 8.220 -0.674 1.00 0.00 N ATOM 1349 CA PHE A 86 -4.288 7.751 0.542 1.00 0.00 C ATOM 1350 C PHE A 86 -3.259 7.288 1.568 1.00 0.00 C ATOM 1351 O PHE A 86 -2.365 6.501 1.256 1.00 0.00 O ATOM 1352 CB PHE A 86 -5.253 6.608 0.219 1.00 0.00 C ATOM 1353 CG PHE A 86 -4.719 5.643 -0.800 1.00 0.00 C ATOM 1354 CD1 PHE A 86 -4.516 6.042 -2.112 1.00 0.00 C ATOM 1355 CD2 PHE A 86 -4.421 4.337 -0.447 1.00 0.00 C ATOM 1356 CE1 PHE A 86 -4.024 5.156 -3.052 1.00 0.00 C ATOM 1357 CE2 PHE A 86 -3.929 3.447 -1.383 1.00 0.00 C ATOM 1358 CZ PHE A 86 -3.731 3.856 -2.687 1.00 0.00 C ATOM 0 H PHE A 86 -3.117 7.501 -1.178 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.850 8.583 0.967 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.481 6.066 1.137 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.191 7.027 -0.146 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.745 7.057 -2.403 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.575 4.011 0.571 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.869 5.480 -4.071 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -3.699 2.432 -1.095 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.348 3.161 -3.420 1.00 0.00 H new ATOM 1368 N ARG A 87 -3.391 7.783 2.795 1.00 0.00 N ATOM 1369 CA ARG A 87 -2.472 7.422 3.868 1.00 0.00 C ATOM 1370 C ARG A 87 -2.972 6.193 4.621 1.00 0.00 C ATOM 1371 O ARG A 87 -4.105 6.166 5.103 1.00 0.00 O ATOM 1372 CB ARG A 87 -2.301 8.593 4.837 1.00 0.00 C ATOM 1373 CG ARG A 87 -1.112 8.442 5.771 1.00 0.00 C ATOM 1374 CD ARG A 87 -0.738 9.767 6.416 1.00 0.00 C ATOM 1375 NE ARG A 87 -1.524 10.033 7.618 1.00 0.00 N ATOM 1376 CZ ARG A 87 -1.700 11.246 8.128 1.00 0.00 C ATOM 1377 NH1 ARG A 87 -1.148 12.301 7.544 1.00 0.00 N ATOM 1378 NH2 ARG A 87 -2.429 11.407 9.225 1.00 0.00 N ATOM 0 H ARG A 87 -4.125 8.435 3.070 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.506 7.185 3.421 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.188 9.514 4.265 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.209 8.697 5.432 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.347 7.713 6.546 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.259 8.053 5.215 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.322 9.760 6.670 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.888 10.574 5.699 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.962 9.243 8.092 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.587 12.182 6.701 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.285 13.232 7.938 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.855 10.598 9.678 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.563 12.340 9.616 1.00 0.00 H new ATOM 1392 N LEU A 88 -2.120 5.178 4.718 1.00 0.00 N ATOM 1393 CA LEU A 88 -2.475 3.946 5.413 1.00 0.00 C ATOM 1394 C LEU A 88 -1.559 3.712 6.610 1.00 0.00 C ATOM 1395 O LEU A 88 -0.344 3.892 6.521 1.00 0.00 O ATOM 1396 CB LEU A 88 -2.393 2.756 4.455 1.00 0.00 C ATOM 1397 CG LEU A 88 -2.259 1.378 5.105 1.00 0.00 C ATOM 1398 CD1 LEU A 88 -2.840 0.302 4.201 1.00 0.00 C ATOM 1399 CD2 LEU A 88 -0.802 1.080 5.426 1.00 0.00 C ATOM 0 H LEU A 88 -1.179 5.184 4.324 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.498 4.045 5.776 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.287 2.756 3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.541 2.907 3.792 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.822 1.381 6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.736 -0.671 4.680 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.896 0.507 4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.306 0.298 3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.725 0.096 5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.216 1.096 4.507 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.419 1.834 6.114 1.00 0.00 H new ATOM 1411 N THR A 89 -2.150 3.310 7.731 1.00 0.00 N ATOM 1412 CA THR A 89 -1.388 3.051 8.946 1.00 0.00 C ATOM 1413 C THR A 89 -1.586 1.617 9.424 1.00 0.00 C ATOM 1414 O THR A 89 -2.706 1.198 9.718 1.00 0.00 O ATOM 1415 CB THR A 89 -1.789 4.017 10.077 1.00 0.00 C ATOM 1416 OG1 THR A 89 -1.819 5.361 9.585 1.00 0.00 O ATOM 1417 CG2 THR A 89 -0.816 3.919 11.242 1.00 0.00 C ATOM 0 H THR A 89 -3.154 3.157 7.822 1.00 0.00 H new ATOM 0 HA THR A 89 -0.338 3.207 8.700 1.00 0.00 H new ATOM 0 HB THR A 89 -2.782 3.738 10.429 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.076 5.969 10.309 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.119 4.610 12.028 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.817 2.901 11.633 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.187 4.175 10.901 1.00 0.00 H new ATOM 1425 N THR A 90 -0.491 0.867 9.500 1.00 0.00 N ATOM 1426 CA THR A 90 -0.544 -0.521 9.942 1.00 0.00 C ATOM 1427 C THR A 90 0.095 -0.686 11.316 1.00 0.00 C ATOM 1428 O THR A 90 1.126 -0.080 11.608 1.00 0.00 O ATOM 1429 CB THR A 90 0.163 -1.456 8.944 1.00 0.00 C ATOM 1430 OG1 THR A 90 1.582 -1.294 9.042 1.00 0.00 O ATOM 1431 CG2 THR A 90 -0.288 -1.169 7.520 1.00 0.00 C ATOM 0 H THR A 90 0.444 1.198 9.261 1.00 0.00 H new ATOM 0 HA THR A 90 -1.598 -0.794 10.000 1.00 0.00 H new ATOM 0 HB THR A 90 -0.103 -2.483 9.192 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.838 -0.423 8.674 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.225 -1.842 6.833 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.364 -1.322 7.441 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.048 -0.137 7.263 1.00 0.00 H new ATOM 1439 N SER A 91 -0.522 -1.510 12.156 1.00 0.00 N ATOM 1440 CA SER A 91 -0.014 -1.752 13.502 1.00 0.00 C ATOM 1441 C SER A 91 1.505 -1.897 13.491 1.00 0.00 C ATOM 1442 O SER A 91 2.171 -1.647 14.495 1.00 0.00 O ATOM 1443 CB SER A 91 -0.653 -3.009 14.093 1.00 0.00 C ATOM 1444 OG SER A 91 -0.372 -3.122 15.477 1.00 0.00 O ATOM 0 H SER A 91 -1.375 -2.022 11.929 1.00 0.00 H new ATOM 0 HA SER A 91 -0.276 -0.895 14.122 1.00 0.00 H new ATOM 0 HB2 SER A 91 -1.732 -2.979 13.939 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.281 -3.890 13.570 1.00 0.00 H new ATOM 0 HG SER A 91 -0.793 -3.933 15.831 1.00 0.00 H new ATOM 1450 N ASP A 92 2.046 -2.303 12.347 1.00 0.00 N ATOM 1451 CA ASP A 92 3.486 -2.481 12.203 1.00 0.00 C ATOM 1452 C ASP A 92 4.173 -1.148 11.928 1.00 0.00 C ATOM 1453 O ASP A 92 4.941 -0.652 12.754 1.00 0.00 O ATOM 1454 CB ASP A 92 3.789 -3.468 11.074 1.00 0.00 C ATOM 1455 CG ASP A 92 5.195 -4.029 11.158 1.00 0.00 C ATOM 1456 OD1 ASP A 92 6.119 -3.265 11.506 1.00 0.00 O ATOM 1457 OD2 ASP A 92 5.371 -5.233 10.875 1.00 0.00 O ATOM 0 H ASP A 92 1.509 -2.515 11.506 1.00 0.00 H new ATOM 0 HA ASP A 92 3.873 -2.882 13.139 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.071 -4.287 11.109 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.657 -2.969 10.114 1.00 0.00 H new ATOM 1462 N CYS A 93 3.894 -0.573 10.764 1.00 0.00 N ATOM 1463 CA CYS A 93 4.487 0.703 10.379 1.00 0.00 C ATOM 1464 C CYS A 93 3.535 1.499 9.492 1.00 0.00 C ATOM 1465 O CYS A 93 2.533 0.972 9.011 1.00 0.00 O ATOM 1466 CB CYS A 93 5.811 0.473 9.649 1.00 0.00 C ATOM 1467 SG CYS A 93 7.249 0.382 10.741 1.00 0.00 S ATOM 0 H CYS A 93 3.261 -0.970 10.070 1.00 0.00 H new ATOM 0 HA CYS A 93 4.675 1.277 11.286 1.00 0.00 H new ATOM 0 HB2 CYS A 93 5.743 -0.453 9.078 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.963 1.280 8.932 1.00 0.00 H new ATOM 0 HG CYS A 93 8.089 1.324 10.431 1.00 0.00 H new ATOM 1473 N GLU A 94 3.856 2.772 9.282 1.00 0.00 N ATOM 1474 CA GLU A 94 3.027 3.642 8.456 1.00 0.00 C ATOM 1475 C GLU A 94 3.641 3.822 7.070 1.00 0.00 C ATOM 1476 O GLU A 94 4.839 3.608 6.878 1.00 0.00 O ATOM 1477 CB GLU A 94 2.850 5.005 9.128 1.00 0.00 C ATOM 1478 CG GLU A 94 1.562 5.712 8.741 1.00 0.00 C ATOM 1479 CD GLU A 94 1.668 6.429 7.409 1.00 0.00 C ATOM 1480 OE1 GLU A 94 2.805 6.619 6.927 1.00 0.00 O ATOM 1481 OE2 GLU A 94 0.616 6.801 6.849 1.00 0.00 O ATOM 0 H GLU A 94 4.683 3.223 9.672 1.00 0.00 H new ATOM 0 HA GLU A 94 2.050 3.171 8.344 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.871 4.873 10.210 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.696 5.641 8.868 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.752 4.984 8.694 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.299 6.431 9.517 1.00 0.00 H new ATOM 1488 N CYS A 95 2.813 4.216 6.110 1.00 0.00 N ATOM 1489 CA CYS A 95 3.273 4.424 4.741 1.00 0.00 C ATOM 1490 C CYS A 95 2.221 5.163 3.920 1.00 0.00 C ATOM 1491 O CYS A 95 1.040 5.173 4.269 1.00 0.00 O ATOM 1492 CB CYS A 95 3.603 3.084 4.083 1.00 0.00 C ATOM 1493 SG CYS A 95 2.154 2.075 3.695 1.00 0.00 S ATOM 0 H CYS A 95 1.820 4.398 6.253 1.00 0.00 H new ATOM 0 HA CYS A 95 4.175 5.035 4.776 1.00 0.00 H new ATOM 0 HB2 CYS A 95 4.159 3.270 3.164 1.00 0.00 H new ATOM 0 HB3 CYS A 95 4.259 2.519 4.744 1.00 0.00 H new ATOM 0 HG CYS A 95 1.767 2.321 2.479 1.00 0.00 H new ATOM 1499 N LEU A 96 2.657 5.781 2.828 1.00 0.00 N ATOM 1500 CA LEU A 96 1.753 6.524 1.957 1.00 0.00 C ATOM 1501 C LEU A 96 1.489 5.758 0.665 1.00 0.00 C ATOM 1502 O LEU A 96 2.255 4.870 0.290 1.00 0.00 O ATOM 1503 CB LEU A 96 2.338 7.901 1.637 1.00 0.00 C ATOM 1504 CG LEU A 96 1.958 9.032 2.593 1.00 0.00 C ATOM 1505 CD1 LEU A 96 2.708 10.306 2.238 1.00 0.00 C ATOM 1506 CD2 LEU A 96 0.455 9.270 2.565 1.00 0.00 C ATOM 0 H LEU A 96 3.631 5.782 2.525 1.00 0.00 H new ATOM 0 HA LEU A 96 0.806 6.651 2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.425 7.817 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.024 8.182 0.632 1.00 0.00 H new ATOM 0 HG LEU A 96 2.241 8.739 3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.425 11.100 2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.781 10.128 2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.457 10.604 1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.202 10.078 3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.148 9.542 1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.063 8.360 2.869 1.00 0.00 H new ATOM 1518 N PHE A 97 0.401 6.108 -0.013 1.00 0.00 N ATOM 1519 CA PHE A 97 0.036 5.454 -1.264 1.00 0.00 C ATOM 1520 C PHE A 97 -0.602 6.447 -2.231 1.00 0.00 C ATOM 1521 O PHE A 97 -1.442 7.257 -1.840 1.00 0.00 O ATOM 1522 CB PHE A 97 -0.926 4.295 -0.997 1.00 0.00 C ATOM 1523 CG PHE A 97 -0.258 3.082 -0.415 1.00 0.00 C ATOM 1524 CD1 PHE A 97 0.633 2.337 -1.170 1.00 0.00 C ATOM 1525 CD2 PHE A 97 -0.520 2.688 0.887 1.00 0.00 C ATOM 1526 CE1 PHE A 97 1.251 1.221 -0.637 1.00 0.00 C ATOM 1527 CE2 PHE A 97 0.094 1.573 1.425 1.00 0.00 C ATOM 1528 CZ PHE A 97 0.980 0.838 0.662 1.00 0.00 C ATOM 0 H PHE A 97 -0.243 6.841 0.283 1.00 0.00 H new ATOM 0 HA PHE A 97 0.946 5.064 -1.720 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -1.707 4.632 -0.315 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.415 4.017 -1.931 1.00 0.00 H new ATOM 0 HD1 PHE A 97 0.847 2.631 -2.187 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.212 3.259 1.488 1.00 0.00 H new ATOM 0 HE1 PHE A 97 1.945 0.649 -1.236 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.119 1.277 2.441 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.460 -0.034 1.080 1.00 0.00 H new ATOM 1538 N GLN A 98 -0.196 6.378 -3.495 1.00 0.00 N ATOM 1539 CA GLN A 98 -0.726 7.271 -4.517 1.00 0.00 C ATOM 1540 C GLN A 98 -1.496 6.490 -5.577 1.00 0.00 C ATOM 1541 O GLN A 98 -1.397 5.265 -5.653 1.00 0.00 O ATOM 1542 CB GLN A 98 0.408 8.061 -5.173 1.00 0.00 C ATOM 1543 CG GLN A 98 -0.052 8.952 -6.315 1.00 0.00 C ATOM 1544 CD GLN A 98 1.036 9.890 -6.799 1.00 0.00 C ATOM 1545 OE1 GLN A 98 2.224 9.580 -6.707 1.00 0.00 O ATOM 1546 NE2 GLN A 98 0.635 11.045 -7.318 1.00 0.00 N ATOM 0 H GLN A 98 0.498 5.713 -3.835 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.412 7.967 -4.034 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.895 8.676 -4.417 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.157 7.363 -5.547 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.385 8.329 -7.145 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.913 9.537 -5.990 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.360 11.260 -7.375 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.322 11.716 -7.660 1.00 0.00 H new ATOM 1555 N ALA A 99 -2.263 7.206 -6.393 1.00 0.00 N ATOM 1556 CA ALA A 99 -3.048 6.579 -7.449 1.00 0.00 C ATOM 1557 C ALA A 99 -3.004 7.406 -8.729 1.00 0.00 C ATOM 1558 O ALA A 99 -2.920 8.633 -8.684 1.00 0.00 O ATOM 1559 CB ALA A 99 -4.486 6.385 -6.993 1.00 0.00 C ATOM 0 H ALA A 99 -2.357 8.220 -6.343 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.612 5.603 -7.662 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.061 5.916 -7.792 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.505 5.747 -6.109 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.925 7.353 -6.751 1.00 0.00 H new ATOM 1565 N GLU A 100 -3.061 6.726 -9.870 1.00 0.00 N ATOM 1566 CA GLU A 100 -3.026 7.399 -11.163 1.00 0.00 C ATOM 1567 C GLU A 100 -4.266 8.268 -11.358 1.00 0.00 C ATOM 1568 O GLU A 100 -4.166 9.485 -11.513 1.00 0.00 O ATOM 1569 CB GLU A 100 -2.926 6.374 -12.294 1.00 0.00 C ATOM 1570 CG GLU A 100 -1.499 6.083 -12.728 1.00 0.00 C ATOM 1571 CD GLU A 100 -1.399 5.707 -14.193 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -1.984 4.675 -14.582 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -0.735 6.445 -14.951 1.00 0.00 O ATOM 0 H GLU A 100 -3.132 5.710 -9.925 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.146 8.041 -11.185 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.396 5.444 -11.973 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.491 6.737 -13.153 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.880 6.960 -12.539 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.097 5.272 -12.121 1.00 0.00 H new ATOM 1580 N ASP A 101 -5.433 7.633 -11.349 1.00 0.00 N ATOM 1581 CA ASP A 101 -6.692 8.347 -11.524 1.00 0.00 C ATOM 1582 C ASP A 101 -7.604 8.144 -10.317 1.00 0.00 C ATOM 1583 O ASP A 101 -7.669 7.052 -9.753 1.00 0.00 O ATOM 1584 CB ASP A 101 -7.398 7.876 -12.796 1.00 0.00 C ATOM 1585 CG ASP A 101 -6.651 8.276 -14.054 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -6.373 9.482 -14.221 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -6.344 7.382 -14.870 1.00 0.00 O ATOM 0 H ASP A 101 -5.533 6.626 -11.222 1.00 0.00 H new ATOM 0 HA ASP A 101 -6.469 9.410 -11.614 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -7.504 6.792 -12.769 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -8.404 8.294 -12.826 1.00 0.00 H new ATOM 1592 N ARG A 102 -8.306 9.203 -9.928 1.00 0.00 N ATOM 1593 CA ARG A 102 -9.212 9.142 -8.787 1.00 0.00 C ATOM 1594 C ARG A 102 -9.862 7.766 -8.683 1.00 0.00 C ATOM 1595 O ARG A 102 -9.772 7.103 -7.649 1.00 0.00 O ATOM 1596 CB ARG A 102 -10.291 10.220 -8.907 1.00 0.00 C ATOM 1597 CG ARG A 102 -11.116 10.399 -7.643 1.00 0.00 C ATOM 1598 CD ARG A 102 -12.276 11.356 -7.867 1.00 0.00 C ATOM 1599 NE ARG A 102 -12.633 12.078 -6.649 1.00 0.00 N ATOM 1600 CZ ARG A 102 -11.810 12.910 -6.020 1.00 0.00 C ATOM 1601 NH1 ARG A 102 -10.589 13.123 -6.492 1.00 0.00 N ATOM 1602 NH2 ARG A 102 -12.207 13.530 -4.916 1.00 0.00 N ATOM 0 H ARG A 102 -8.265 10.114 -10.386 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.630 9.320 -7.883 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -9.818 11.169 -9.160 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -10.956 9.966 -9.732 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.498 9.432 -7.317 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -10.480 10.777 -6.842 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -12.012 12.070 -8.647 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.142 10.799 -8.225 1.00 0.00 H new ATOM 0 HE ARG A 102 -13.565 11.936 -6.260 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -10.280 12.648 -7.340 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -9.959 13.762 -6.007 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -13.145 13.368 -4.549 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -11.574 14.168 -4.434 1.00 0.00 H new ATOM 1616 N ASP A 103 -10.516 7.343 -9.759 1.00 0.00 N ATOM 1617 CA ASP A 103 -11.181 6.046 -9.789 1.00 0.00 C ATOM 1618 C ASP A 103 -10.305 4.971 -9.152 1.00 0.00 C ATOM 1619 O ASP A 103 -10.726 4.285 -8.220 1.00 0.00 O ATOM 1620 CB ASP A 103 -11.522 5.656 -11.228 1.00 0.00 C ATOM 1621 CG ASP A 103 -12.314 6.731 -11.946 1.00 0.00 C ATOM 1622 OD1 ASP A 103 -11.691 7.681 -12.466 1.00 0.00 O ATOM 1623 OD2 ASP A 103 -13.557 6.622 -11.990 1.00 0.00 O ATOM 0 H ASP A 103 -10.600 7.880 -10.622 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.104 6.126 -9.214 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -10.601 5.460 -11.776 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -12.094 4.728 -11.224 1.00 0.00 H new ATOM 1628 N ASP A 104 -9.086 4.831 -9.661 1.00 0.00 N ATOM 1629 CA ASP A 104 -8.151 3.840 -9.142 1.00 0.00 C ATOM 1630 C ASP A 104 -8.055 3.926 -7.622 1.00 0.00 C ATOM 1631 O ASP A 104 -8.204 2.924 -6.923 1.00 0.00 O ATOM 1632 CB ASP A 104 -6.768 4.038 -9.764 1.00 0.00 C ATOM 1633 CG ASP A 104 -5.982 2.744 -9.854 1.00 0.00 C ATOM 1634 OD1 ASP A 104 -5.497 2.270 -8.805 1.00 0.00 O ATOM 1635 OD2 ASP A 104 -5.854 2.204 -10.972 1.00 0.00 O ATOM 0 H ASP A 104 -8.722 5.391 -10.432 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.523 2.851 -9.409 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -6.879 4.462 -10.762 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -6.206 4.760 -9.171 1.00 0.00 H new ATOM 1640 N MET A 105 -7.805 5.130 -7.117 1.00 0.00 N ATOM 1641 CA MET A 105 -7.689 5.346 -5.680 1.00 0.00 C ATOM 1642 C MET A 105 -8.868 4.722 -4.940 1.00 0.00 C ATOM 1643 O MET A 105 -8.710 3.733 -4.222 1.00 0.00 O ATOM 1644 CB MET A 105 -7.614 6.843 -5.372 1.00 0.00 C ATOM 1645 CG MET A 105 -7.242 7.150 -3.931 1.00 0.00 C ATOM 1646 SD MET A 105 -7.066 8.917 -3.620 1.00 0.00 S ATOM 1647 CE MET A 105 -8.738 9.483 -3.923 1.00 0.00 C ATOM 0 H MET A 105 -7.679 5.970 -7.682 1.00 0.00 H new ATOM 0 HA MET A 105 -6.772 4.866 -5.338 1.00 0.00 H new ATOM 0 HB2 MET A 105 -6.882 7.305 -6.034 1.00 0.00 H new ATOM 0 HB3 MET A 105 -8.578 7.300 -5.595 1.00 0.00 H new ATOM 0 HG2 MET A 105 -8.006 6.743 -3.268 1.00 0.00 H new ATOM 0 HG3 MET A 105 -6.306 6.647 -3.686 1.00 0.00 H new ATOM 0 HE1 MET A 105 -8.865 10.482 -3.506 1.00 0.00 H new ATOM 0 HE2 MET A 105 -8.923 9.512 -4.997 1.00 0.00 H new ATOM 0 HE3 MET A 105 -9.444 8.800 -3.451 1.00 0.00 H new ATOM 1657 N LEU A 106 -10.048 5.304 -5.118 1.00 0.00 N ATOM 1658 CA LEU A 106 -11.254 4.804 -4.467 1.00 0.00 C ATOM 1659 C LEU A 106 -11.270 3.279 -4.446 1.00 0.00 C ATOM 1660 O LEU A 106 -11.504 2.665 -3.406 1.00 0.00 O ATOM 1661 CB LEU A 106 -12.499 5.329 -5.183 1.00 0.00 C ATOM 1662 CG LEU A 106 -12.886 6.778 -4.883 1.00 0.00 C ATOM 1663 CD1 LEU A 106 -13.225 6.945 -3.410 1.00 0.00 C ATOM 1664 CD2 LEU A 106 -11.764 7.724 -5.285 1.00 0.00 C ATOM 0 H LEU A 106 -10.196 6.123 -5.708 1.00 0.00 H new ATOM 0 HA LEU A 106 -11.256 5.163 -3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -12.344 5.231 -6.257 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -13.341 4.688 -4.922 1.00 0.00 H new ATOM 0 HG LEU A 106 -13.771 7.027 -5.469 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -13.498 7.982 -3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -14.062 6.295 -3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -12.359 6.678 -2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -12.057 8.750 -5.064 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -10.861 7.476 -4.726 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -11.569 7.624 -6.353 1.00 0.00 H new ATOM 1676 N ALA A 107 -11.017 2.675 -5.603 1.00 0.00 N ATOM 1677 CA ALA A 107 -10.998 1.222 -5.717 1.00 0.00 C ATOM 1678 C ALA A 107 -10.085 0.600 -4.665 1.00 0.00 C ATOM 1679 O ALA A 107 -10.499 -0.283 -3.914 1.00 0.00 O ATOM 1680 CB ALA A 107 -10.557 0.808 -7.113 1.00 0.00 C ATOM 0 H ALA A 107 -10.823 3.169 -6.474 1.00 0.00 H new ATOM 0 HA ALA A 107 -12.010 0.856 -5.544 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -10.547 -0.280 -7.184 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.251 1.214 -7.849 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -9.556 1.193 -7.308 1.00 0.00 H new ATOM 1686 N TRP A 108 -8.843 1.067 -4.618 1.00 0.00 N ATOM 1687 CA TRP A 108 -7.871 0.555 -3.658 1.00 0.00 C ATOM 1688 C TRP A 108 -8.375 0.726 -2.229 1.00 0.00 C ATOM 1689 O TRP A 108 -8.585 -0.254 -1.514 1.00 0.00 O ATOM 1690 CB TRP A 108 -6.530 1.272 -3.827 1.00 0.00 C ATOM 1691 CG TRP A 108 -5.619 0.601 -4.810 1.00 0.00 C ATOM 1692 CD1 TRP A 108 -5.317 1.029 -6.072 1.00 0.00 C ATOM 1693 CD2 TRP A 108 -4.893 -0.617 -4.613 1.00 0.00 C ATOM 1694 NE1 TRP A 108 -4.447 0.150 -6.671 1.00 0.00 N ATOM 1695 CE2 TRP A 108 -4.171 -0.868 -5.797 1.00 0.00 C ATOM 1696 CE3 TRP A 108 -4.781 -1.519 -3.552 1.00 0.00 C ATOM 1697 CZ2 TRP A 108 -3.351 -1.983 -5.946 1.00 0.00 C ATOM 1698 CZ3 TRP A 108 -3.967 -2.625 -3.702 1.00 0.00 C ATOM 1699 CH2 TRP A 108 -3.260 -2.850 -4.891 1.00 0.00 C ATOM 0 H TRP A 108 -8.485 1.798 -5.232 1.00 0.00 H new ATOM 0 HA TRP A 108 -7.734 -0.509 -3.851 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -6.712 2.297 -4.152 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -6.031 1.328 -2.859 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -5.705 1.926 -6.531 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -4.068 0.241 -7.614 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -5.321 -1.355 -2.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -2.806 -2.158 -6.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -3.874 -3.329 -2.888 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -2.631 -3.724 -4.976 1.00 0.00 H new ATOM 1710 N ILE A 109 -8.568 1.975 -1.819 1.00 0.00 N ATOM 1711 CA ILE A 109 -9.049 2.273 -0.476 1.00 0.00 C ATOM 1712 C ILE A 109 -10.121 1.279 -0.044 1.00 0.00 C ATOM 1713 O ILE A 109 -10.030 0.675 1.026 1.00 0.00 O ATOM 1714 CB ILE A 109 -9.621 3.700 -0.386 1.00 0.00 C ATOM 1715 CG1 ILE A 109 -8.508 4.732 -0.578 1.00 0.00 C ATOM 1716 CG2 ILE A 109 -10.318 3.907 0.950 1.00 0.00 C ATOM 1717 CD1 ILE A 109 -9.007 6.159 -0.614 1.00 0.00 C ATOM 0 H ILE A 109 -8.398 2.797 -2.398 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.191 2.192 0.192 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.355 3.833 -1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -7.785 4.629 0.231 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -7.980 4.517 -1.507 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.717 4.920 0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.133 3.191 1.050 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.604 3.759 1.760 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.164 6.836 -0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.708 6.279 -1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.509 6.393 0.325 1.00 0.00 H new ATOM 1729 N LYS A 110 -11.138 1.111 -0.883 1.00 0.00 N ATOM 1730 CA LYS A 110 -12.228 0.188 -0.591 1.00 0.00 C ATOM 1731 C LYS A 110 -11.709 -1.239 -0.446 1.00 0.00 C ATOM 1732 O LYS A 110 -11.763 -1.824 0.636 1.00 0.00 O ATOM 1733 CB LYS A 110 -13.284 0.248 -1.697 1.00 0.00 C ATOM 1734 CG LYS A 110 -14.333 -0.846 -1.596 1.00 0.00 C ATOM 1735 CD LYS A 110 -15.428 -0.667 -2.634 1.00 0.00 C ATOM 1736 CE LYS A 110 -16.492 0.309 -2.158 1.00 0.00 C ATOM 1737 NZ LYS A 110 -17.357 -0.285 -1.100 1.00 0.00 N ATOM 0 H LYS A 110 -11.230 1.603 -1.772 1.00 0.00 H new ATOM 0 HA LYS A 110 -12.682 0.488 0.353 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.779 1.219 -1.663 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -12.789 0.176 -2.665 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -13.859 -1.819 -1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -14.772 -0.839 -0.598 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -14.992 -0.306 -3.566 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -15.888 -1.632 -2.850 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -16.013 1.209 -1.772 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -17.109 0.614 -3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -18.211 0.297 -0.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -17.631 -1.249 -1.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -16.834 -0.318 -0.202 1.00 0.00 H new ATOM 1751 N THR A 111 -11.203 -1.794 -1.543 1.00 0.00 N ATOM 1752 CA THR A 111 -10.673 -3.152 -1.538 1.00 0.00 C ATOM 1753 C THR A 111 -9.921 -3.444 -0.245 1.00 0.00 C ATOM 1754 O THR A 111 -10.269 -4.368 0.491 1.00 0.00 O ATOM 1755 CB THR A 111 -9.730 -3.391 -2.732 1.00 0.00 C ATOM 1756 OG1 THR A 111 -10.421 -3.136 -3.960 1.00 0.00 O ATOM 1757 CG2 THR A 111 -9.203 -4.818 -2.728 1.00 0.00 C ATOM 0 H THR A 111 -11.149 -1.324 -2.446 1.00 0.00 H new ATOM 0 HA THR A 111 -11.527 -3.825 -1.618 1.00 0.00 H new ATOM 0 HB THR A 111 -8.885 -2.708 -2.642 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.470 -2.169 -4.113 1.00 0.00 H new ATOM 0 HG21 THR A 111 -8.539 -4.963 -3.580 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.653 -5.000 -1.805 1.00 0.00 H new ATOM 0 HG23 THR A 111 -10.039 -5.515 -2.796 1.00 0.00 H new ATOM 1765 N ILE A 112 -8.890 -2.651 0.027 1.00 0.00 N ATOM 1766 CA ILE A 112 -8.090 -2.824 1.233 1.00 0.00 C ATOM 1767 C ILE A 112 -8.950 -2.695 2.486 1.00 0.00 C ATOM 1768 O ILE A 112 -9.006 -3.609 3.308 1.00 0.00 O ATOM 1769 CB ILE A 112 -6.945 -1.796 1.302 1.00 0.00 C ATOM 1770 CG1 ILE A 112 -6.120 -1.833 0.014 1.00 0.00 C ATOM 1771 CG2 ILE A 112 -6.063 -2.067 2.511 1.00 0.00 C ATOM 1772 CD1 ILE A 112 -5.441 -0.519 -0.307 1.00 0.00 C ATOM 0 H ILE A 112 -8.589 -1.882 -0.572 1.00 0.00 H new ATOM 0 HA ILE A 112 -7.665 -3.827 1.188 1.00 0.00 H new ATOM 0 HB ILE A 112 -7.375 -0.800 1.407 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.363 -2.613 0.099 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.770 -2.109 -0.816 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -5.258 -1.333 2.546 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -6.660 -1.995 3.420 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -5.638 -3.068 2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.874 -0.619 -1.233 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -6.194 0.260 -0.425 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -4.765 -0.251 0.505 1.00 0.00 H new ATOM 1784 N GLN A 113 -9.619 -1.555 2.623 1.00 0.00 N ATOM 1785 CA GLN A 113 -10.477 -1.307 3.775 1.00 0.00 C ATOM 1786 C GLN A 113 -11.403 -2.492 4.029 1.00 0.00 C ATOM 1787 O GLN A 113 -11.751 -2.785 5.172 1.00 0.00 O ATOM 1788 CB GLN A 113 -11.303 -0.037 3.559 1.00 0.00 C ATOM 1789 CG GLN A 113 -10.594 1.232 4.004 1.00 0.00 C ATOM 1790 CD GLN A 113 -11.557 2.310 4.461 1.00 0.00 C ATOM 1791 OE1 GLN A 113 -12.759 2.232 4.206 1.00 0.00 O ATOM 1792 NE2 GLN A 113 -11.033 3.323 5.140 1.00 0.00 N ATOM 0 H GLN A 113 -9.583 -0.789 1.951 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.839 -1.173 4.649 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.553 0.048 2.502 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.243 -0.128 4.103 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -9.908 0.994 4.817 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -9.991 1.614 3.180 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -10.031 3.346 5.329 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -11.632 4.078 5.473 1.00 0.00 H new ATOM 1801 N GLU A 114 -11.798 -3.169 2.955 1.00 0.00 N ATOM 1802 CA GLU A 114 -12.685 -4.321 3.063 1.00 0.00 C ATOM 1803 C GLU A 114 -11.966 -5.502 3.709 1.00 0.00 C ATOM 1804 O GLU A 114 -12.560 -6.259 4.477 1.00 0.00 O ATOM 1805 CB GLU A 114 -13.208 -4.722 1.682 1.00 0.00 C ATOM 1806 CG GLU A 114 -14.291 -3.799 1.150 1.00 0.00 C ATOM 1807 CD GLU A 114 -15.672 -4.166 1.659 1.00 0.00 C ATOM 1808 OE1 GLU A 114 -15.873 -4.153 2.891 1.00 0.00 O ATOM 1809 OE2 GLU A 114 -16.551 -4.465 0.824 1.00 0.00 O ATOM 0 H GLU A 114 -11.518 -2.940 2.001 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.528 -4.040 3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.376 -4.736 0.978 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.600 -5.738 1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -14.062 -2.773 1.438 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -14.289 -3.832 0.061 1.00 0.00 H new ATOM 1816 N SER A 115 -10.684 -5.653 3.392 1.00 0.00 N ATOM 1817 CA SER A 115 -9.885 -6.743 3.937 1.00 0.00 C ATOM 1818 C SER A 115 -9.521 -6.475 5.394 1.00 0.00 C ATOM 1819 O SER A 115 -9.516 -7.385 6.222 1.00 0.00 O ATOM 1820 CB SER A 115 -8.612 -6.934 3.109 1.00 0.00 C ATOM 1821 OG SER A 115 -8.830 -7.840 2.041 1.00 0.00 O ATOM 0 H SER A 115 -10.177 -5.034 2.760 1.00 0.00 H new ATOM 0 HA SER A 115 -10.481 -7.655 3.891 1.00 0.00 H new ATOM 0 HB2 SER A 115 -8.284 -5.973 2.713 1.00 0.00 H new ATOM 0 HB3 SER A 115 -7.811 -7.306 3.748 1.00 0.00 H new ATOM 0 HG SER A 115 -8.068 -8.453 1.971 1.00 0.00 H new ATOM 1827 N SER A 116 -9.217 -5.217 5.699 1.00 0.00 N ATOM 1828 CA SER A 116 -8.848 -4.828 7.055 1.00 0.00 C ATOM 1829 C SER A 116 -10.087 -4.498 7.882 1.00 0.00 C ATOM 1830 O SER A 116 -10.090 -3.549 8.665 1.00 0.00 O ATOM 1831 CB SER A 116 -7.906 -3.622 7.024 1.00 0.00 C ATOM 1832 OG SER A 116 -8.593 -2.449 6.623 1.00 0.00 O ATOM 0 H SER A 116 -9.219 -4.451 5.026 1.00 0.00 H new ATOM 0 HA SER A 116 -8.335 -5.669 7.521 1.00 0.00 H new ATOM 0 HB2 SER A 116 -7.469 -3.472 8.011 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.082 -3.817 6.338 1.00 0.00 H new ATOM 0 HG SER A 116 -8.018 -1.668 6.765 1.00 0.00 H new ATOM 1838 N ASN A 117 -11.140 -5.289 7.700 1.00 0.00 N ATOM 1839 CA ASN A 117 -12.386 -5.082 8.428 1.00 0.00 C ATOM 1840 C ASN A 117 -12.994 -6.414 8.857 1.00 0.00 C ATOM 1841 O ASN A 117 -13.218 -7.301 8.031 1.00 0.00 O ATOM 1842 CB ASN A 117 -13.384 -4.308 7.564 1.00 0.00 C ATOM 1843 CG ASN A 117 -14.824 -4.621 7.921 1.00 0.00 C ATOM 1844 OD1 ASN A 117 -15.416 -3.972 8.783 1.00 0.00 O ATOM 1845 ND2 ASN A 117 -15.394 -5.621 7.258 1.00 0.00 N ATOM 0 H ASN A 117 -11.155 -6.079 7.055 1.00 0.00 H new ATOM 0 HA ASN A 117 -12.162 -4.500 9.322 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -13.208 -3.239 7.681 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -13.213 -4.547 6.514 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -16.361 -5.878 7.456 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -14.865 -6.132 6.551 1.00 0.00 H new ATOM 1852 N LEU A 118 -13.259 -6.548 10.151 1.00 0.00 N ATOM 1853 CA LEU A 118 -13.842 -7.772 10.690 1.00 0.00 C ATOM 1854 C LEU A 118 -14.881 -8.347 9.734 1.00 0.00 C ATOM 1855 O LEU A 118 -15.761 -7.633 9.255 1.00 0.00 O ATOM 1856 CB LEU A 118 -14.482 -7.498 12.053 1.00 0.00 C ATOM 1857 CG LEU A 118 -13.568 -7.657 13.268 1.00 0.00 C ATOM 1858 CD1 LEU A 118 -14.121 -6.885 14.456 1.00 0.00 C ATOM 1859 CD2 LEU A 118 -13.396 -9.128 13.618 1.00 0.00 C ATOM 0 H LEU A 118 -13.080 -5.824 10.847 1.00 0.00 H new ATOM 0 HA LEU A 118 -13.043 -8.503 10.811 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -14.875 -6.481 12.050 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -15.333 -8.168 12.174 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.589 -7.247 13.018 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -13.457 -7.010 15.312 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -14.191 -5.827 14.202 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -15.112 -7.264 14.707 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -12.742 -9.222 14.485 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -14.368 -9.563 13.848 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -12.954 -9.654 12.772 1.00 0.00 H new ATOM 1871 N ASN A 119 -14.774 -9.644 9.462 1.00 0.00 N ATOM 1872 CA ASN A 119 -15.706 -10.316 8.563 1.00 0.00 C ATOM 1873 C ASN A 119 -17.134 -10.221 9.091 1.00 0.00 C ATOM 1874 O ASN A 119 -17.360 -9.815 10.231 1.00 0.00 O ATOM 1875 CB ASN A 119 -15.310 -11.784 8.390 1.00 0.00 C ATOM 1876 CG ASN A 119 -14.228 -11.971 7.345 1.00 0.00 C ATOM 1877 OD1 ASN A 119 -13.044 -12.059 7.670 1.00 0.00 O ATOM 1878 ND2 ASN A 119 -14.630 -12.033 6.081 1.00 0.00 N ATOM 0 H ASN A 119 -14.052 -10.250 9.851 1.00 0.00 H new ATOM 0 HA ASN A 119 -15.662 -9.818 7.594 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -14.962 -12.178 9.345 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -16.189 -12.364 8.107 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -13.947 -12.158 5.334 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -15.622 -11.955 5.857 1.00 0.00 H new ATOM 1885 N SER A 120 -18.095 -10.601 8.254 1.00 0.00 N ATOM 1886 CA SER A 120 -19.502 -10.556 8.635 1.00 0.00 C ATOM 1887 C SER A 120 -19.824 -11.647 9.652 1.00 0.00 C ATOM 1888 O SER A 120 -19.904 -12.826 9.310 1.00 0.00 O ATOM 1889 CB SER A 120 -20.391 -10.715 7.400 1.00 0.00 C ATOM 1890 OG SER A 120 -20.112 -11.927 6.723 1.00 0.00 O ATOM 0 H SER A 120 -17.925 -10.943 7.308 1.00 0.00 H new ATOM 0 HA SER A 120 -19.699 -9.587 9.093 1.00 0.00 H new ATOM 0 HB2 SER A 120 -21.439 -10.694 7.698 1.00 0.00 H new ATOM 0 HB3 SER A 120 -20.235 -9.874 6.725 1.00 0.00 H new ATOM 0 HG SER A 120 -19.838 -12.608 7.372 1.00 0.00 H new ATOM 1896 N GLY A 121 -20.009 -11.243 10.905 1.00 0.00 N ATOM 1897 CA GLY A 121 -20.320 -12.197 11.953 1.00 0.00 C ATOM 1898 C GLY A 121 -19.353 -12.116 13.118 1.00 0.00 C ATOM 1899 O GLY A 121 -18.444 -12.935 13.256 1.00 0.00 O ATOM 0 H GLY A 121 -19.949 -10.272 11.213 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -21.333 -12.019 12.313 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -20.302 -13.205 11.539 1.00 0.00 H new ATOM 1903 N PRO A 122 -19.543 -11.107 13.981 1.00 0.00 N ATOM 1904 CA PRO A 122 -18.689 -10.896 15.153 1.00 0.00 C ATOM 1905 C PRO A 122 -18.889 -11.972 16.216 1.00 0.00 C ATOM 1906 O PRO A 122 -19.852 -11.931 16.981 1.00 0.00 O ATOM 1907 CB PRO A 122 -19.141 -9.533 15.682 1.00 0.00 C ATOM 1908 CG PRO A 122 -20.545 -9.388 15.205 1.00 0.00 C ATOM 1909 CD PRO A 122 -20.607 -10.093 13.878 1.00 0.00 C ATOM 0 HA PRO A 122 -17.630 -10.939 14.898 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -19.086 -9.493 16.770 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -18.509 -8.731 15.301 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -21.245 -9.829 15.914 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -20.815 -8.337 15.102 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -21.583 -10.550 13.711 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -20.430 -9.407 13.050 1.00 0.00 H new ATOM 1917 N SER A 123 -17.972 -12.933 16.257 1.00 0.00 N ATOM 1918 CA SER A 123 -18.049 -14.022 17.224 1.00 0.00 C ATOM 1919 C SER A 123 -17.602 -13.554 18.606 1.00 0.00 C ATOM 1920 O SER A 123 -18.345 -13.664 19.581 1.00 0.00 O ATOM 1921 CB SER A 123 -17.186 -15.200 16.768 1.00 0.00 C ATOM 1922 OG SER A 123 -17.032 -16.152 17.807 1.00 0.00 O ATOM 0 H SER A 123 -17.167 -12.980 15.632 1.00 0.00 H new ATOM 0 HA SER A 123 -19.088 -14.346 17.287 1.00 0.00 H new ATOM 0 HB2 SER A 123 -17.643 -15.675 15.900 1.00 0.00 H new ATOM 0 HB3 SER A 123 -16.207 -14.838 16.454 1.00 0.00 H new ATOM 0 HG SER A 123 -16.478 -16.896 17.490 1.00 0.00 H new ATOM 1928 N SER A 124 -16.382 -13.032 18.681 1.00 0.00 N ATOM 1929 CA SER A 124 -15.833 -12.550 19.943 1.00 0.00 C ATOM 1930 C SER A 124 -15.870 -11.027 20.006 1.00 0.00 C ATOM 1931 O SER A 124 -14.917 -10.389 20.452 1.00 0.00 O ATOM 1932 CB SER A 124 -14.395 -13.044 20.119 1.00 0.00 C ATOM 1933 OG SER A 124 -13.527 -12.430 19.183 1.00 0.00 O ATOM 0 H SER A 124 -15.755 -12.932 17.883 1.00 0.00 H new ATOM 0 HA SER A 124 -16.448 -12.944 20.752 1.00 0.00 H new ATOM 0 HB2 SER A 124 -14.054 -12.828 21.132 1.00 0.00 H new ATOM 0 HB3 SER A 124 -14.361 -14.126 19.995 1.00 0.00 H new ATOM 0 HG SER A 124 -12.614 -12.761 19.317 1.00 0.00 H new ATOM 1939 N GLY A 125 -16.979 -10.449 19.554 1.00 0.00 N ATOM 1940 CA GLY A 125 -17.122 -9.005 19.567 1.00 0.00 C ATOM 1941 C GLY A 125 -16.482 -8.370 20.785 1.00 0.00 C ATOM 1942 O GLY A 125 -16.761 -7.216 21.111 1.00 0.00 O ATOM 0 H GLY A 125 -17.781 -10.955 19.179 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -16.671 -8.590 18.666 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -18.181 -8.748 19.541 1.00 0.00 H new TER 1946 GLY A 125