USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1061 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 79 MET CE :methyl -127:sc= -0.44 (180deg=-0.947) USER MOD Set 1.2: A 89 HIS : no HD1:sc= -0.572 K(o=-1,f=-4.7!) USER MOD Set 2.1: A 31 HIS : no HD1:sc= -2.68 K(o=-2.8,f=-5.1!) USER MOD Set 2.2: A 33 GLN :FLIP amide:sc= -0.114 F(o=-4.5!,f=-2.8) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 70:sc= 0.393 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= 0.0361 X(o=0.036,f=-0.45) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -170:sc= 0 USER MOD Single : A 43 SER OG : rot 75:sc= 0.00379 USER MOD Single : A 45 HIS : no HE2:sc= -0.741 K(o=-0.74,f=-3.4) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0245 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 130:sc= 0.18 USER MOD Single : A 78 THR OG1 : rot -81:sc= -0.508 USER MOD Single : A 87 THR OG1 : rot 89:sc= 0.771 USER MOD Single : A 88 ASN : amide:sc= 0.0653 K(o=0.065,f=-7.9!) USER MOD Single : A 102 HIS : no HE2:sc= 0.307 K(o=0.31,f=-1) USER MOD Single : A 103 CYS SG : rot 4:sc= -0.907 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -159:sc= 0 (180deg=-0.135) USER MOD Single : A 113 CYS SG : rot 117:sc= -2.34! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= -0.0755 K(o=-0.076,f=-1.1) USER MOD Single : A 141 TYR OH : rot -91:sc= 0.115 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -3.119 13.945 9.243 1.00 22.42 N ATOM 21 CA ALA A 2 -2.178 13.586 8.152 1.00 74.33 C ATOM 22 C ALA A 2 -1.942 12.050 8.098 1.00 14.21 C ATOM 23 O ALA A 2 -1.021 11.570 7.418 1.00 74.52 O ATOM 24 CB ALA A 2 -0.860 14.362 8.331 1.00 72.33 C ATOM 0 HA ALA A 2 -2.616 13.870 7.195 1.00 74.33 H new ATOM 0 HB1 ALA A 2 -0.170 14.097 7.529 1.00 72.33 H new ATOM 0 HB2 ALA A 2 -1.061 15.433 8.298 1.00 72.33 H new ATOM 0 HB3 ALA A 2 -0.415 14.106 9.292 1.00 72.33 H new ATOM 30 N THR A 3 -2.805 11.288 8.807 1.00 53.43 N ATOM 31 CA THR A 3 -2.796 9.805 8.796 1.00 14.30 C ATOM 32 C THR A 3 -4.017 9.296 7.998 1.00 23.33 C ATOM 33 O THR A 3 -5.163 9.442 8.431 1.00 71.31 O ATOM 34 CB THR A 3 -2.828 9.193 10.245 1.00 24.32 C ATOM 35 OG1 THR A 3 -1.805 9.802 11.053 1.00 4.22 O ATOM 36 CG2 THR A 3 -2.624 7.658 10.237 1.00 72.41 C ATOM 0 H THR A 3 -3.530 11.684 9.405 1.00 53.43 H new ATOM 0 HA THR A 3 -1.866 9.484 8.327 1.00 14.30 H new ATOM 0 HB THR A 3 -3.814 9.398 10.662 1.00 24.32 H new ATOM 0 HG1 THR A 3 -1.829 9.419 11.955 1.00 4.22 H new ATOM 0 HG21 THR A 3 -2.654 7.282 11.260 1.00 72.41 H new ATOM 0 HG22 THR A 3 -3.417 7.189 9.654 1.00 72.41 H new ATOM 0 HG23 THR A 3 -1.658 7.422 9.792 1.00 72.41 H new ATOM 44 N LEU A 4 -3.742 8.725 6.823 1.00 73.21 N ATOM 45 CA LEU A 4 -4.767 8.167 5.913 1.00 5.15 C ATOM 46 C LEU A 4 -4.906 6.662 6.179 1.00 21.51 C ATOM 47 O LEU A 4 -3.907 5.976 6.310 1.00 52.04 O ATOM 48 CB LEU A 4 -4.354 8.397 4.421 1.00 12.44 C ATOM 49 CG LEU A 4 -4.576 9.826 3.822 1.00 70.50 C ATOM 50 CD1 LEU A 4 -3.850 10.933 4.617 1.00 44.12 C ATOM 51 CD2 LEU A 4 -4.150 9.855 2.338 1.00 1.14 C ATOM 0 H LEU A 4 -2.792 8.632 6.465 1.00 73.21 H new ATOM 0 HA LEU A 4 -5.718 8.668 6.094 1.00 5.15 H new ATOM 0 HB2 LEU A 4 -3.296 8.152 4.323 1.00 12.44 H new ATOM 0 HB3 LEU A 4 -4.905 7.685 3.806 1.00 12.44 H new ATOM 0 HG LEU A 4 -5.642 10.039 3.898 1.00 70.50 H new ATOM 0 HD11 LEU A 4 -4.042 11.900 4.153 1.00 44.12 H new ATOM 0 HD12 LEU A 4 -4.217 10.944 5.643 1.00 44.12 H new ATOM 0 HD13 LEU A 4 -2.778 10.737 4.617 1.00 44.12 H new ATOM 0 HD21 LEU A 4 -4.309 10.854 1.933 1.00 1.14 H new ATOM 0 HD22 LEU A 4 -3.095 9.595 2.257 1.00 1.14 H new ATOM 0 HD23 LEU A 4 -4.745 9.136 1.775 1.00 1.14 H new ATOM 63 N ARG A 5 -6.143 6.160 6.273 1.00 72.44 N ATOM 64 CA ARG A 5 -6.412 4.711 6.423 1.00 15.01 C ATOM 65 C ARG A 5 -7.583 4.285 5.511 1.00 14.40 C ATOM 66 O ARG A 5 -8.582 4.997 5.390 1.00 32.14 O ATOM 67 CB ARG A 5 -6.714 4.355 7.909 1.00 11.24 C ATOM 68 CG ARG A 5 -7.081 2.868 8.141 1.00 61.33 C ATOM 69 CD ARG A 5 -7.395 2.532 9.606 1.00 45.13 C ATOM 70 NE ARG A 5 -7.938 1.168 9.733 1.00 3.34 N ATOM 71 CZ ARG A 5 -8.156 0.525 10.856 1.00 61.51 C ATOM 72 NH1 ARG A 5 -7.794 1.008 12.001 1.00 4.14 N ATOM 73 NH2 ARG A 5 -8.737 -0.624 10.808 1.00 42.13 N ATOM 0 H ARG A 5 -6.985 6.735 6.248 1.00 72.44 H new ATOM 0 HA ARG A 5 -5.520 4.163 6.120 1.00 15.01 H new ATOM 0 HB2 ARG A 5 -5.842 4.602 8.515 1.00 11.24 H new ATOM 0 HB3 ARG A 5 -7.534 4.980 8.262 1.00 11.24 H new ATOM 0 HG2 ARG A 5 -7.945 2.616 7.526 1.00 61.33 H new ATOM 0 HG3 ARG A 5 -6.255 2.242 7.803 1.00 61.33 H new ATOM 0 HD2 ARG A 5 -6.489 2.623 10.205 1.00 45.13 H new ATOM 0 HD3 ARG A 5 -8.113 3.251 10.001 1.00 45.13 H new ATOM 0 HE ARG A 5 -8.166 0.678 8.868 1.00 3.34 H new ATOM 0 HH11 ARG A 5 -7.325 1.913 12.048 1.00 4.14 H new ATOM 0 HH12 ARG A 5 -7.978 0.484 12.857 1.00 4.14 H new ATOM 0 HH21 ARG A 5 -9.018 -1.016 9.909 1.00 42.13 H new ATOM 0 HH22 ARG A 5 -8.916 -1.141 11.669 1.00 42.13 H new ATOM 87 N ARG A 6 -7.431 3.131 4.846 1.00 72.12 N ATOM 88 CA ARG A 6 -8.487 2.538 4.008 1.00 31.03 C ATOM 89 C ARG A 6 -8.389 0.997 4.049 1.00 1.44 C ATOM 90 O ARG A 6 -7.308 0.454 4.268 1.00 14.51 O ATOM 91 CB ARG A 6 -8.369 3.107 2.564 1.00 31.24 C ATOM 92 CG ARG A 6 -9.583 2.817 1.648 1.00 41.44 C ATOM 93 CD ARG A 6 -9.809 3.914 0.592 1.00 33.15 C ATOM 94 NE ARG A 6 -10.063 5.230 1.220 1.00 72.30 N ATOM 95 CZ ARG A 6 -10.701 6.242 0.661 1.00 22.23 C ATOM 96 NH1 ARG A 6 -11.227 6.136 -0.513 1.00 24.34 N ATOM 97 NH2 ARG A 6 -10.826 7.357 1.303 1.00 62.33 N ATOM 0 H ARG A 6 -6.573 2.581 4.873 1.00 72.12 H new ATOM 0 HA ARG A 6 -9.473 2.802 4.390 1.00 31.03 H new ATOM 0 HB2 ARG A 6 -8.228 4.186 2.625 1.00 31.24 H new ATOM 0 HB3 ARG A 6 -7.474 2.694 2.098 1.00 31.24 H new ATOM 0 HG2 ARG A 6 -9.433 1.861 1.146 1.00 41.44 H new ATOM 0 HG3 ARG A 6 -10.479 2.719 2.261 1.00 41.44 H new ATOM 0 HD2 ARG A 6 -8.935 3.982 -0.056 1.00 33.15 H new ATOM 0 HD3 ARG A 6 -10.654 3.643 -0.040 1.00 33.15 H new ATOM 0 HE ARG A 6 -9.714 5.367 2.169 1.00 72.30 H new ATOM 0 HH11 ARG A 6 -11.154 5.258 -1.027 1.00 24.34 H new ATOM 0 HH12 ARG A 6 -11.716 6.930 -0.927 1.00 24.34 H new ATOM 0 HH21 ARG A 6 -10.432 7.453 2.239 1.00 62.33 H new ATOM 0 HH22 ARG A 6 -11.318 8.140 0.874 1.00 62.33 H new ATOM 111 N SER A 7 -9.522 0.298 3.857 1.00 74.41 N ATOM 112 CA SER A 7 -9.563 -1.189 3.884 1.00 21.22 C ATOM 113 C SER A 7 -10.512 -1.757 2.813 1.00 31.25 C ATOM 114 O SER A 7 -11.319 -1.028 2.223 1.00 24.55 O ATOM 115 CB SER A 7 -9.980 -1.695 5.284 1.00 44.03 C ATOM 116 OG SER A 7 -11.277 -1.235 5.646 1.00 53.31 O ATOM 0 H SER A 7 -10.427 0.733 3.680 1.00 74.41 H new ATOM 0 HA SER A 7 -8.557 -1.544 3.659 1.00 21.22 H new ATOM 0 HB2 SER A 7 -9.964 -2.785 5.297 1.00 44.03 H new ATOM 0 HB3 SER A 7 -9.255 -1.357 6.024 1.00 44.03 H new ATOM 0 HG SER A 7 -11.508 -1.575 6.535 1.00 53.31 H new ATOM 122 N VAL A 8 -10.400 -3.072 2.573 1.00 13.24 N ATOM 123 CA VAL A 8 -11.224 -3.799 1.583 1.00 52.13 C ATOM 124 C VAL A 8 -11.382 -5.279 1.996 1.00 3.03 C ATOM 125 O VAL A 8 -10.481 -5.842 2.618 1.00 54.12 O ATOM 126 CB VAL A 8 -10.558 -3.719 0.154 1.00 33.42 C ATOM 127 CG1 VAL A 8 -9.200 -4.487 0.111 1.00 70.14 C ATOM 128 CG2 VAL A 8 -11.527 -4.202 -0.955 1.00 53.50 C ATOM 0 H VAL A 8 -9.732 -3.669 3.061 1.00 13.24 H new ATOM 0 HA VAL A 8 -12.208 -3.332 1.548 1.00 52.13 H new ATOM 0 HB VAL A 8 -10.341 -2.670 -0.045 1.00 33.42 H new ATOM 0 HG11 VAL A 8 -8.770 -4.411 -0.888 1.00 70.14 H new ATOM 0 HG12 VAL A 8 -8.513 -4.051 0.836 1.00 70.14 H new ATOM 0 HG13 VAL A 8 -9.367 -5.536 0.355 1.00 70.14 H new ATOM 0 HG21 VAL A 8 -11.034 -4.133 -1.925 1.00 53.50 H new ATOM 0 HG22 VAL A 8 -11.810 -5.237 -0.765 1.00 53.50 H new ATOM 0 HG23 VAL A 8 -12.419 -3.576 -0.956 1.00 53.50 H new ATOM 138 N GLU A 9 -12.524 -5.907 1.659 1.00 72.34 N ATOM 139 CA GLU A 9 -12.681 -7.369 1.785 1.00 65.54 C ATOM 140 C GLU A 9 -12.334 -8.049 0.440 1.00 73.30 C ATOM 141 O GLU A 9 -13.032 -7.875 -0.565 1.00 10.21 O ATOM 142 CB GLU A 9 -14.106 -7.768 2.246 1.00 22.44 C ATOM 143 CG GLU A 9 -14.280 -9.293 2.417 1.00 53.04 C ATOM 144 CD GLU A 9 -15.656 -9.709 2.955 1.00 73.21 C ATOM 145 OE1 GLU A 9 -16.612 -9.842 2.155 1.00 52.22 O ATOM 146 OE2 GLU A 9 -15.782 -9.940 4.176 1.00 71.31 O ATOM 0 H GLU A 9 -13.349 -5.427 1.299 1.00 72.34 H new ATOM 0 HA GLU A 9 -11.991 -7.713 2.556 1.00 65.54 H new ATOM 0 HB2 GLU A 9 -14.327 -7.274 3.192 1.00 22.44 H new ATOM 0 HB3 GLU A 9 -14.832 -7.404 1.519 1.00 22.44 H new ATOM 0 HG2 GLU A 9 -14.117 -9.777 1.454 1.00 53.04 H new ATOM 0 HG3 GLU A 9 -13.510 -9.662 3.094 1.00 53.04 H new ATOM 153 N VAL A 10 -11.227 -8.792 0.446 1.00 41.15 N ATOM 154 CA VAL A 10 -10.747 -9.579 -0.701 1.00 13.23 C ATOM 155 C VAL A 10 -11.326 -11.009 -0.632 1.00 13.21 C ATOM 156 O VAL A 10 -11.210 -11.661 0.402 1.00 63.33 O ATOM 157 CB VAL A 10 -9.182 -9.632 -0.671 1.00 71.24 C ATOM 158 CG1 VAL A 10 -8.623 -10.470 -1.837 1.00 2.13 C ATOM 159 CG2 VAL A 10 -8.598 -8.198 -0.673 1.00 1.45 C ATOM 0 H VAL A 10 -10.623 -8.868 1.264 1.00 41.15 H new ATOM 0 HA VAL A 10 -11.075 -9.111 -1.629 1.00 13.23 H new ATOM 0 HB VAL A 10 -8.874 -10.126 0.251 1.00 71.24 H new ATOM 0 HG11 VAL A 10 -7.534 -10.485 -1.785 1.00 2.13 H new ATOM 0 HG12 VAL A 10 -9.004 -11.489 -1.768 1.00 2.13 H new ATOM 0 HG13 VAL A 10 -8.935 -10.029 -2.784 1.00 2.13 H new ATOM 0 HG21 VAL A 10 -7.509 -8.248 -0.652 1.00 1.45 H new ATOM 0 HG22 VAL A 10 -8.920 -7.675 -1.574 1.00 1.45 H new ATOM 0 HG23 VAL A 10 -8.953 -7.659 0.205 1.00 1.45 H new ATOM 169 N ALA A 11 -11.956 -11.490 -1.724 1.00 0.33 N ATOM 170 CA ALA A 11 -12.486 -12.871 -1.785 1.00 31.51 C ATOM 171 C ALA A 11 -11.347 -13.912 -2.013 1.00 71.32 C ATOM 172 O ALA A 11 -11.212 -14.497 -3.090 1.00 22.41 O ATOM 173 CB ALA A 11 -13.596 -12.964 -2.854 1.00 34.55 C ATOM 0 H ALA A 11 -12.110 -10.946 -2.573 1.00 0.33 H new ATOM 0 HA ALA A 11 -12.932 -13.119 -0.822 1.00 31.51 H new ATOM 0 HB1 ALA A 11 -13.980 -13.983 -2.892 1.00 34.55 H new ATOM 0 HB2 ALA A 11 -14.406 -12.280 -2.598 1.00 34.55 H new ATOM 0 HB3 ALA A 11 -13.187 -12.694 -3.828 1.00 34.55 H new ATOM 179 N ALA A 12 -10.525 -14.110 -0.964 1.00 2.12 N ATOM 180 CA ALA A 12 -9.349 -15.009 -0.979 1.00 51.13 C ATOM 181 C ALA A 12 -8.798 -15.198 0.462 1.00 31.44 C ATOM 182 O ALA A 12 -8.978 -14.309 1.308 1.00 32.04 O ATOM 183 CB ALA A 12 -8.244 -14.445 -1.905 1.00 72.31 C ATOM 0 H ALA A 12 -10.660 -13.643 -0.067 1.00 2.12 H new ATOM 0 HA ALA A 12 -9.662 -15.979 -1.366 1.00 51.13 H new ATOM 0 HB1 ALA A 12 -7.388 -15.120 -1.903 1.00 72.31 H new ATOM 0 HB2 ALA A 12 -8.631 -14.354 -2.920 1.00 72.31 H new ATOM 0 HB3 ALA A 12 -7.934 -13.464 -1.545 1.00 72.31 H new ATOM 189 N PRO A 13 -8.147 -16.369 0.779 1.00 23.40 N ATOM 190 CA PRO A 13 -7.402 -16.546 2.059 1.00 34.34 C ATOM 191 C PRO A 13 -6.146 -15.622 2.145 1.00 51.54 C ATOM 192 O PRO A 13 -5.442 -15.415 1.144 1.00 23.22 O ATOM 193 CB PRO A 13 -7.018 -18.052 2.049 1.00 25.41 C ATOM 194 CG PRO A 13 -7.028 -18.439 0.600 1.00 2.53 C ATOM 195 CD PRO A 13 -8.114 -17.608 -0.053 1.00 35.45 C ATOM 0 HA PRO A 13 -7.996 -16.268 2.930 1.00 34.34 H new ATOM 0 HB2 PRO A 13 -6.037 -18.213 2.495 1.00 25.41 H new ATOM 0 HB3 PRO A 13 -7.730 -18.646 2.622 1.00 25.41 H new ATOM 0 HG2 PRO A 13 -6.060 -18.245 0.139 1.00 2.53 H new ATOM 0 HG3 PRO A 13 -7.229 -19.504 0.483 1.00 2.53 H new ATOM 0 HD2 PRO A 13 -7.880 -17.387 -1.094 1.00 35.45 H new ATOM 0 HD3 PRO A 13 -9.074 -18.123 -0.045 1.00 35.45 H new ATOM 203 N ALA A 14 -5.902 -15.070 3.358 1.00 52.12 N ATOM 204 CA ALA A 14 -4.863 -14.038 3.649 1.00 63.43 C ATOM 205 C ALA A 14 -3.446 -14.336 3.082 1.00 70.15 C ATOM 206 O ALA A 14 -2.725 -13.407 2.708 1.00 74.20 O ATOM 207 CB ALA A 14 -4.799 -13.816 5.177 1.00 33.11 C ATOM 0 H ALA A 14 -6.434 -15.334 4.187 1.00 52.12 H new ATOM 0 HA ALA A 14 -5.177 -13.135 3.125 1.00 63.43 H new ATOM 0 HB1 ALA A 14 -4.043 -13.064 5.404 1.00 33.11 H new ATOM 0 HB2 ALA A 14 -5.770 -13.475 5.536 1.00 33.11 H new ATOM 0 HB3 ALA A 14 -4.538 -14.752 5.670 1.00 33.11 H new ATOM 213 N ALA A 15 -3.048 -15.618 3.065 1.00 25.12 N ATOM 214 CA ALA A 15 -1.733 -16.052 2.523 1.00 64.32 C ATOM 215 C ALA A 15 -1.580 -15.738 1.015 1.00 51.32 C ATOM 216 O ALA A 15 -0.549 -15.207 0.584 1.00 25.21 O ATOM 217 CB ALA A 15 -1.520 -17.549 2.790 1.00 73.11 C ATOM 0 H ALA A 15 -3.618 -16.385 3.422 1.00 25.12 H new ATOM 0 HA ALA A 15 -0.963 -15.480 3.042 1.00 64.32 H new ATOM 0 HB1 ALA A 15 -0.554 -17.856 2.389 1.00 73.11 H new ATOM 0 HB2 ALA A 15 -1.542 -17.734 3.864 1.00 73.11 H new ATOM 0 HB3 ALA A 15 -2.312 -18.121 2.307 1.00 73.11 H new ATOM 223 N ASP A 16 -2.607 -16.100 0.222 1.00 13.31 N ATOM 224 CA ASP A 16 -2.658 -15.819 -1.239 1.00 23.01 C ATOM 225 C ASP A 16 -2.582 -14.309 -1.541 1.00 42.25 C ATOM 226 O ASP A 16 -1.979 -13.887 -2.538 1.00 32.05 O ATOM 227 CB ASP A 16 -3.954 -16.418 -1.836 1.00 72.41 C ATOM 228 CG ASP A 16 -3.972 -17.955 -1.806 1.00 5.13 C ATOM 229 OD1 ASP A 16 -3.832 -18.546 -0.712 1.00 32.44 O ATOM 230 OD2 ASP A 16 -4.113 -18.584 -2.877 1.00 0.20 O ATOM 0 H ASP A 16 -3.428 -16.596 0.569 1.00 13.31 H new ATOM 0 HA ASP A 16 -1.787 -16.285 -1.701 1.00 23.01 H new ATOM 0 HB2 ASP A 16 -4.812 -16.039 -1.282 1.00 72.41 H new ATOM 0 HB3 ASP A 16 -4.064 -16.078 -2.866 1.00 72.41 H new ATOM 235 N VAL A 17 -3.208 -13.512 -0.670 1.00 54.03 N ATOM 236 CA VAL A 17 -3.218 -12.039 -0.774 1.00 12.41 C ATOM 237 C VAL A 17 -1.829 -11.454 -0.396 1.00 71.01 C ATOM 238 O VAL A 17 -1.367 -10.477 -0.994 1.00 14.23 O ATOM 239 CB VAL A 17 -4.329 -11.430 0.157 1.00 23.22 C ATOM 240 CG1 VAL A 17 -4.447 -9.903 -0.046 1.00 53.23 C ATOM 241 CG2 VAL A 17 -5.697 -12.137 -0.061 1.00 20.21 C ATOM 0 H VAL A 17 -3.727 -13.867 0.134 1.00 54.03 H new ATOM 0 HA VAL A 17 -3.439 -11.772 -1.807 1.00 12.41 H new ATOM 0 HB VAL A 17 -4.031 -11.605 1.191 1.00 23.22 H new ATOM 0 HG11 VAL A 17 -5.223 -9.508 0.610 1.00 53.23 H new ATOM 0 HG12 VAL A 17 -3.494 -9.430 0.192 1.00 53.23 H new ATOM 0 HG13 VAL A 17 -4.707 -9.693 -1.083 1.00 53.23 H new ATOM 0 HG21 VAL A 17 -6.445 -11.694 0.597 1.00 20.21 H new ATOM 0 HG22 VAL A 17 -6.008 -12.015 -1.098 1.00 20.21 H new ATOM 0 HG23 VAL A 17 -5.598 -13.199 0.166 1.00 20.21 H new ATOM 251 N TRP A 18 -1.177 -12.083 0.600 1.00 31.43 N ATOM 252 CA TRP A 18 0.156 -11.669 1.098 1.00 50.14 C ATOM 253 C TRP A 18 1.276 -11.933 0.054 1.00 12.13 C ATOM 254 O TRP A 18 2.241 -11.176 -0.032 1.00 52.15 O ATOM 255 CB TRP A 18 0.476 -12.378 2.445 1.00 10.41 C ATOM 256 CG TRP A 18 1.826 -12.001 3.029 1.00 21.54 C ATOM 257 CD1 TRP A 18 2.881 -12.829 3.292 1.00 30.21 C ATOM 258 CD2 TRP A 18 2.266 -10.676 3.386 1.00 60.34 C ATOM 259 NE1 TRP A 18 3.936 -12.107 3.782 1.00 23.13 N ATOM 260 CE2 TRP A 18 3.585 -10.789 3.850 1.00 41.11 C ATOM 261 CE3 TRP A 18 1.665 -9.408 3.359 1.00 73.24 C ATOM 262 CZ2 TRP A 18 4.324 -9.689 4.276 1.00 52.54 C ATOM 263 CZ3 TRP A 18 2.399 -8.316 3.783 1.00 24.21 C ATOM 264 CH2 TRP A 18 3.718 -8.466 4.234 1.00 25.14 C ATOM 0 H TRP A 18 -1.558 -12.895 1.086 1.00 31.43 H new ATOM 0 HA TRP A 18 0.124 -10.593 1.267 1.00 50.14 H new ATOM 0 HB2 TRP A 18 -0.303 -12.134 3.167 1.00 10.41 H new ATOM 0 HB3 TRP A 18 0.444 -13.457 2.294 1.00 10.41 H new ATOM 0 HD1 TRP A 18 2.882 -13.898 3.136 1.00 30.21 H new ATOM 0 HE1 TRP A 18 4.841 -12.492 4.053 1.00 23.13 H new ATOM 0 HE3 TRP A 18 0.649 -9.288 3.014 1.00 73.24 H new ATOM 0 HZ2 TRP A 18 5.339 -9.799 4.627 1.00 52.54 H new ATOM 0 HZ3 TRP A 18 1.950 -7.334 3.767 1.00 24.21 H new ATOM 0 HH2 TRP A 18 4.268 -7.594 4.556 1.00 25.14 H new ATOM 275 N THR A 19 1.126 -13.011 -0.734 1.00 21.33 N ATOM 276 CA THR A 19 2.052 -13.337 -1.858 1.00 14.11 C ATOM 277 C THR A 19 1.985 -12.253 -2.982 1.00 70.24 C ATOM 278 O THR A 19 2.892 -12.120 -3.804 1.00 63.45 O ATOM 279 CB THR A 19 1.709 -14.757 -2.445 1.00 74.53 C ATOM 280 OG1 THR A 19 1.697 -15.726 -1.378 1.00 71.42 O ATOM 281 CG2 THR A 19 2.713 -15.225 -3.520 1.00 12.13 C ATOM 0 H THR A 19 0.368 -13.684 -0.620 1.00 21.33 H new ATOM 0 HA THR A 19 3.069 -13.349 -1.467 1.00 14.11 H new ATOM 0 HB THR A 19 0.731 -14.673 -2.919 1.00 74.53 H new ATOM 0 HG1 THR A 19 0.923 -15.565 -0.799 1.00 71.42 H new ATOM 0 HG21 THR A 19 2.422 -16.210 -3.885 1.00 12.13 H new ATOM 0 HG22 THR A 19 2.715 -14.517 -4.349 1.00 12.13 H new ATOM 0 HG23 THR A 19 3.712 -15.279 -3.086 1.00 12.13 H new ATOM 289 N LEU A 20 0.884 -11.487 -2.993 1.00 61.22 N ATOM 290 CA LEU A 20 0.635 -10.414 -3.975 1.00 25.22 C ATOM 291 C LEU A 20 1.192 -9.035 -3.492 1.00 53.33 C ATOM 292 O LEU A 20 1.938 -8.370 -4.226 1.00 73.22 O ATOM 293 CB LEU A 20 -0.891 -10.363 -4.234 1.00 11.03 C ATOM 294 CG LEU A 20 -1.402 -9.319 -5.264 1.00 74.21 C ATOM 295 CD1 LEU A 20 -0.779 -9.521 -6.661 1.00 43.12 C ATOM 296 CD2 LEU A 20 -2.937 -9.349 -5.337 1.00 72.25 C ATOM 0 H LEU A 20 0.131 -11.594 -2.313 1.00 61.22 H new ATOM 0 HA LEU A 20 1.164 -10.630 -4.903 1.00 25.22 H new ATOM 0 HB2 LEU A 20 -1.210 -11.350 -4.567 1.00 11.03 H new ATOM 0 HB3 LEU A 20 -1.389 -10.171 -3.283 1.00 11.03 H new ATOM 0 HG LEU A 20 -1.084 -8.336 -4.918 1.00 74.21 H new ATOM 0 HD11 LEU A 20 -1.168 -8.767 -7.345 1.00 43.12 H new ATOM 0 HD12 LEU A 20 0.305 -9.425 -6.593 1.00 43.12 H new ATOM 0 HD13 LEU A 20 -1.033 -10.514 -7.033 1.00 43.12 H new ATOM 0 HD21 LEU A 20 -3.281 -8.612 -6.063 1.00 72.25 H new ATOM 0 HD22 LEU A 20 -3.267 -10.342 -5.643 1.00 72.25 H new ATOM 0 HD23 LEU A 20 -3.353 -9.114 -4.357 1.00 72.25 H new ATOM 308 N VAL A 21 0.812 -8.611 -2.264 1.00 42.11 N ATOM 309 CA VAL A 21 1.266 -7.311 -1.681 1.00 65.14 C ATOM 310 C VAL A 21 2.690 -7.392 -1.058 1.00 0.45 C ATOM 311 O VAL A 21 3.543 -6.548 -1.353 1.00 33.40 O ATOM 312 CB VAL A 21 0.247 -6.735 -0.611 1.00 12.32 C ATOM 313 CG1 VAL A 21 -1.070 -6.290 -1.283 1.00 45.44 C ATOM 314 CG2 VAL A 21 -0.042 -7.747 0.529 1.00 44.01 C ATOM 0 H VAL A 21 0.193 -9.144 -1.653 1.00 42.11 H new ATOM 0 HA VAL A 21 1.305 -6.623 -2.525 1.00 65.14 H new ATOM 0 HB VAL A 21 0.722 -5.863 -0.161 1.00 12.32 H new ATOM 0 HG11 VAL A 21 -1.751 -5.899 -0.527 1.00 45.44 H new ATOM 0 HG12 VAL A 21 -0.859 -5.513 -2.018 1.00 45.44 H new ATOM 0 HG13 VAL A 21 -1.531 -7.143 -1.780 1.00 45.44 H new ATOM 0 HG21 VAL A 21 -0.745 -7.307 1.237 1.00 44.01 H new ATOM 0 HG22 VAL A 21 -0.472 -8.656 0.108 1.00 44.01 H new ATOM 0 HG23 VAL A 21 0.887 -7.990 1.044 1.00 44.01 H new ATOM 324 N GLY A 22 2.933 -8.427 -0.222 1.00 72.44 N ATOM 325 CA GLY A 22 4.194 -8.571 0.537 1.00 53.02 C ATOM 326 C GLY A 22 5.402 -9.029 -0.287 1.00 40.34 C ATOM 327 O GLY A 22 6.511 -9.174 0.249 1.00 74.31 O ATOM 0 H GLY A 22 2.265 -9.180 -0.056 1.00 72.44 H new ATOM 0 HA2 GLY A 22 4.432 -7.613 1.000 1.00 53.02 H new ATOM 0 HA3 GLY A 22 4.034 -9.285 1.345 1.00 53.02 H new ATOM 331 N ASP A 23 5.183 -9.289 -1.582 1.00 10.24 N ATOM 332 CA ASP A 23 6.272 -9.504 -2.556 1.00 51.14 C ATOM 333 C ASP A 23 6.975 -8.168 -2.928 1.00 34.13 C ATOM 334 O ASP A 23 8.082 -8.187 -3.470 1.00 13.11 O ATOM 335 CB ASP A 23 5.721 -10.233 -3.824 1.00 15.14 C ATOM 336 CG ASP A 23 6.315 -11.639 -4.010 1.00 41.31 C ATOM 337 OD1 ASP A 23 5.856 -12.588 -3.340 1.00 42.25 O ATOM 338 OD2 ASP A 23 7.287 -11.789 -4.783 1.00 72.24 O ATOM 0 H ASP A 23 4.250 -9.357 -1.988 1.00 10.24 H new ATOM 0 HA ASP A 23 7.026 -10.141 -2.094 1.00 51.14 H new ATOM 0 HB2 ASP A 23 4.636 -10.309 -3.751 1.00 15.14 H new ATOM 0 HB3 ASP A 23 5.940 -9.632 -4.707 1.00 15.14 H new ATOM 343 N PHE A 24 6.283 -7.032 -2.641 1.00 44.43 N ATOM 344 CA PHE A 24 6.803 -5.642 -2.761 1.00 61.14 C ATOM 345 C PHE A 24 6.914 -5.183 -4.248 1.00 73.12 C ATOM 346 O PHE A 24 6.167 -4.298 -4.691 1.00 53.42 O ATOM 347 CB PHE A 24 8.148 -5.475 -1.979 1.00 34.25 C ATOM 348 CG PHE A 24 8.601 -4.032 -1.733 1.00 60.32 C ATOM 349 CD1 PHE A 24 7.797 -3.148 -1.014 1.00 41.12 C ATOM 350 CD2 PHE A 24 9.840 -3.567 -2.186 1.00 44.31 C ATOM 351 CE1 PHE A 24 8.209 -1.850 -0.766 1.00 61.32 C ATOM 352 CE2 PHE A 24 10.248 -2.271 -1.939 1.00 14.04 C ATOM 353 CZ PHE A 24 9.432 -1.412 -1.229 1.00 25.23 C ATOM 0 H PHE A 24 5.319 -7.059 -2.310 1.00 44.43 H new ATOM 0 HA PHE A 24 6.076 -4.976 -2.295 1.00 61.14 H new ATOM 0 HB2 PHE A 24 8.051 -5.975 -1.015 1.00 34.25 H new ATOM 0 HB3 PHE A 24 8.933 -5.994 -2.529 1.00 34.25 H new ATOM 0 HD1 PHE A 24 6.838 -3.481 -0.645 1.00 41.12 H new ATOM 0 HD2 PHE A 24 10.488 -4.232 -2.738 1.00 44.31 H new ATOM 0 HE1 PHE A 24 7.572 -1.179 -0.209 1.00 61.32 H new ATOM 0 HE2 PHE A 24 11.206 -1.929 -2.301 1.00 14.04 H new ATOM 0 HZ PHE A 24 9.751 -0.398 -1.037 1.00 25.23 H new ATOM 363 N SER A 25 7.809 -5.818 -5.023 1.00 45.22 N ATOM 364 CA SER A 25 7.994 -5.546 -6.478 1.00 20.32 C ATOM 365 C SER A 25 6.773 -5.982 -7.344 1.00 31.22 C ATOM 366 O SER A 25 6.629 -5.541 -8.497 1.00 21.21 O ATOM 367 CB SER A 25 9.267 -6.264 -6.975 1.00 1.53 C ATOM 368 OG SER A 25 9.239 -7.642 -6.640 1.00 14.21 O ATOM 0 H SER A 25 8.433 -6.541 -4.665 1.00 45.22 H new ATOM 0 HA SER A 25 8.090 -4.466 -6.592 1.00 20.32 H new ATOM 0 HB2 SER A 25 9.354 -6.151 -8.056 1.00 1.53 H new ATOM 0 HB3 SER A 25 10.148 -5.797 -6.534 1.00 1.53 H new ATOM 0 HG SER A 25 10.055 -8.075 -6.967 1.00 14.21 H new ATOM 374 N ALA A 26 5.864 -6.795 -6.761 1.00 42.33 N ATOM 375 CA ALA A 26 4.704 -7.380 -7.478 1.00 72.11 C ATOM 376 C ALA A 26 3.484 -6.431 -7.460 1.00 25.11 C ATOM 377 O ALA A 26 2.384 -6.818 -7.868 1.00 2.45 O ATOM 378 CB ALA A 26 4.332 -8.738 -6.855 1.00 24.31 C ATOM 0 H ALA A 26 5.912 -7.066 -5.779 1.00 42.33 H new ATOM 0 HA ALA A 26 4.992 -7.526 -8.519 1.00 72.11 H new ATOM 0 HB1 ALA A 26 3.480 -9.161 -7.387 1.00 24.31 H new ATOM 0 HB2 ALA A 26 5.181 -9.418 -6.931 1.00 24.31 H new ATOM 0 HB3 ALA A 26 4.072 -8.598 -5.806 1.00 24.31 H new ATOM 384 N ILE A 27 3.702 -5.177 -7.002 1.00 35.20 N ATOM 385 CA ILE A 27 2.635 -4.172 -6.863 1.00 54.44 C ATOM 386 C ILE A 27 1.954 -3.826 -8.218 1.00 14.45 C ATOM 387 O ILE A 27 0.756 -3.574 -8.258 1.00 31.14 O ATOM 388 CB ILE A 27 3.150 -2.869 -6.135 1.00 3.54 C ATOM 389 CG1 ILE A 27 1.952 -1.908 -5.846 1.00 21.31 C ATOM 390 CG2 ILE A 27 4.263 -2.169 -6.943 1.00 0.20 C ATOM 391 CD1 ILE A 27 2.248 -0.693 -4.987 1.00 2.11 C ATOM 0 H ILE A 27 4.622 -4.839 -6.720 1.00 35.20 H new ATOM 0 HA ILE A 27 1.870 -4.627 -6.234 1.00 54.44 H new ATOM 0 HB ILE A 27 3.593 -3.159 -5.182 1.00 3.54 H new ATOM 0 HG12 ILE A 27 1.555 -1.562 -6.800 1.00 21.31 H new ATOM 0 HG13 ILE A 27 1.163 -2.483 -5.362 1.00 21.31 H new ATOM 0 HG21 ILE A 27 4.592 -1.277 -6.411 1.00 0.20 H new ATOM 0 HG22 ILE A 27 5.106 -2.849 -7.067 1.00 0.20 H new ATOM 0 HG23 ILE A 27 3.878 -1.886 -7.923 1.00 0.20 H new ATOM 0 HD11 ILE A 27 1.338 -0.107 -4.860 1.00 2.11 H new ATOM 0 HD12 ILE A 27 2.611 -1.017 -4.011 1.00 2.11 H new ATOM 0 HD13 ILE A 27 3.009 -0.081 -5.472 1.00 2.11 H new ATOM 403 N HIS A 28 2.710 -3.898 -9.332 1.00 24.52 N ATOM 404 CA HIS A 28 2.177 -3.583 -10.688 1.00 23.44 C ATOM 405 C HIS A 28 1.170 -4.653 -11.213 1.00 24.20 C ATOM 406 O HIS A 28 0.570 -4.474 -12.277 1.00 43.51 O ATOM 407 CB HIS A 28 3.349 -3.389 -11.687 1.00 31.14 C ATOM 408 CG HIS A 28 4.152 -4.623 -12.016 1.00 11.55 C ATOM 409 ND1 HIS A 28 5.103 -5.160 -11.170 1.00 20.22 N ATOM 410 CD2 HIS A 28 4.149 -5.413 -13.119 1.00 73.02 C ATOM 411 CE1 HIS A 28 5.648 -6.216 -11.741 1.00 53.24 C ATOM 412 NE2 HIS A 28 5.086 -6.393 -12.919 1.00 1.21 N ATOM 0 H HIS A 28 3.693 -4.171 -9.327 1.00 24.52 H new ATOM 0 HA HIS A 28 1.614 -2.653 -10.603 1.00 23.44 H new ATOM 0 HB2 HIS A 28 2.945 -2.985 -12.615 1.00 31.14 H new ATOM 0 HB3 HIS A 28 4.026 -2.638 -11.280 1.00 31.14 H new ATOM 0 HD1 HIS A 28 5.345 -4.797 -10.248 1.00 20.22 H new ATOM 0 HD2 HIS A 28 3.525 -5.292 -13.992 1.00 73.02 H new ATOM 0 HE1 HIS A 28 6.425 -6.833 -11.314 1.00 53.24 H new ATOM 421 N ARG A 29 1.002 -5.757 -10.460 1.00 11.52 N ATOM 422 CA ARG A 29 0.091 -6.869 -10.830 1.00 51.34 C ATOM 423 C ARG A 29 -1.332 -6.689 -10.245 1.00 61.02 C ATOM 424 O ARG A 29 -2.276 -7.319 -10.729 1.00 24.00 O ATOM 425 CB ARG A 29 0.691 -8.213 -10.346 1.00 43.01 C ATOM 426 CG ARG A 29 2.089 -8.523 -10.921 1.00 74.13 C ATOM 427 CD ARG A 29 2.688 -9.816 -10.349 1.00 51.34 C ATOM 428 NE ARG A 29 1.868 -11.005 -10.641 1.00 2.12 N ATOM 429 CZ ARG A 29 2.255 -12.249 -10.465 1.00 15.13 C ATOM 430 NH1 ARG A 29 3.445 -12.530 -10.014 1.00 60.35 N ATOM 431 NH2 ARG A 29 1.441 -13.209 -10.750 1.00 74.31 N ATOM 0 H ARG A 29 1.491 -5.908 -9.578 1.00 11.52 H new ATOM 0 HA ARG A 29 -0.004 -6.867 -11.916 1.00 51.34 H new ATOM 0 HB2 ARG A 29 0.752 -8.200 -9.258 1.00 43.01 H new ATOM 0 HB3 ARG A 29 0.011 -9.021 -10.617 1.00 43.01 H new ATOM 0 HG2 ARG A 29 2.022 -8.607 -12.006 1.00 74.13 H new ATOM 0 HG3 ARG A 29 2.759 -7.690 -10.707 1.00 74.13 H new ATOM 0 HD2 ARG A 29 3.687 -9.960 -10.759 1.00 51.34 H new ATOM 0 HD3 ARG A 29 2.798 -9.713 -9.270 1.00 51.34 H new ATOM 0 HE ARG A 29 0.929 -10.851 -11.008 1.00 2.12 H new ATOM 0 HH11 ARG A 29 4.096 -11.778 -9.790 1.00 60.35 H new ATOM 0 HH12 ARG A 29 3.725 -13.502 -9.885 1.00 60.35 H new ATOM 0 HH21 ARG A 29 0.509 -12.998 -11.107 1.00 74.31 H new ATOM 0 HH22 ARG A 29 1.729 -14.178 -10.618 1.00 74.31 H new ATOM 445 N TRP A 30 -1.477 -5.852 -9.194 1.00 5.32 N ATOM 446 CA TRP A 30 -2.795 -5.576 -8.549 1.00 44.54 C ATOM 447 C TRP A 30 -3.146 -4.081 -8.590 1.00 73.23 C ATOM 448 O TRP A 30 -4.327 -3.715 -8.620 1.00 61.33 O ATOM 449 CB TRP A 30 -2.819 -6.080 -7.083 1.00 55.20 C ATOM 450 CG TRP A 30 -1.802 -5.457 -6.143 1.00 32.04 C ATOM 451 CD1 TRP A 30 -0.503 -5.835 -5.968 1.00 71.13 C ATOM 452 CD2 TRP A 30 -2.018 -4.367 -5.224 1.00 10.42 C ATOM 453 NE1 TRP A 30 0.088 -5.059 -5.013 1.00 32.54 N ATOM 454 CE2 TRP A 30 -0.814 -4.152 -4.543 1.00 4.25 C ATOM 455 CE3 TRP A 30 -3.109 -3.552 -4.922 1.00 4.13 C ATOM 456 CZ2 TRP A 30 -0.665 -3.166 -3.570 1.00 32.43 C ATOM 457 CZ3 TRP A 30 -2.964 -2.575 -3.955 1.00 32.13 C ATOM 458 CH2 TRP A 30 -1.748 -2.389 -3.291 1.00 4.24 C ATOM 0 H TRP A 30 -0.698 -5.350 -8.767 1.00 5.32 H new ATOM 0 HA TRP A 30 -3.546 -6.121 -9.121 1.00 44.54 H new ATOM 0 HB2 TRP A 30 -3.815 -5.903 -6.676 1.00 55.20 H new ATOM 0 HB3 TRP A 30 -2.664 -7.159 -7.089 1.00 55.20 H new ATOM 0 HD1 TRP A 30 -0.013 -6.633 -6.507 1.00 71.13 H new ATOM 0 HE1 TRP A 30 1.055 -5.145 -4.700 1.00 32.54 H new ATOM 0 HE3 TRP A 30 -4.051 -3.682 -5.435 1.00 4.13 H new ATOM 0 HZ2 TRP A 30 0.274 -3.023 -3.056 1.00 32.43 H new ATOM 0 HZ3 TRP A 30 -3.805 -1.944 -3.708 1.00 32.13 H new ATOM 0 HH2 TRP A 30 -1.666 -1.615 -2.543 1.00 4.24 H new ATOM 469 N HIS A 31 -2.110 -3.222 -8.560 1.00 34.12 N ATOM 470 CA HIS A 31 -2.271 -1.762 -8.531 1.00 3.01 C ATOM 471 C HIS A 31 -2.220 -1.196 -9.982 1.00 15.30 C ATOM 472 O HIS A 31 -1.135 -1.121 -10.572 1.00 15.04 O ATOM 473 CB HIS A 31 -1.180 -1.114 -7.644 1.00 0.42 C ATOM 474 CG HIS A 31 -1.550 0.257 -7.175 1.00 1.05 C ATOM 475 ND1 HIS A 31 -1.397 1.364 -7.969 1.00 15.40 N ATOM 476 CD2 HIS A 31 -2.096 0.630 -5.999 1.00 64.54 C ATOM 477 CE1 HIS A 31 -1.851 2.373 -7.261 1.00 2.12 C ATOM 478 NE2 HIS A 31 -2.288 1.977 -6.062 1.00 75.44 N ATOM 0 H HIS A 31 -1.136 -3.525 -8.555 1.00 34.12 H new ATOM 0 HA HIS A 31 -3.241 -1.519 -8.098 1.00 3.01 H new ATOM 0 HB2 HIS A 31 -0.996 -1.751 -6.779 1.00 0.42 H new ATOM 0 HB3 HIS A 31 -0.247 -1.061 -8.205 1.00 0.42 H new ATOM 0 HD2 HIS A 31 -2.335 -0.016 -5.167 1.00 64.54 H new ATOM 0 HE1 HIS A 31 -1.869 3.396 -7.606 1.00 2.12 H new ATOM 0 HE2 HIS A 31 -2.688 2.569 -5.334 1.00 75.44 H new ATOM 486 N PRO A 32 -3.401 -0.816 -10.586 1.00 51.24 N ATOM 487 CA PRO A 32 -3.496 -0.422 -12.028 1.00 63.31 C ATOM 488 C PRO A 32 -2.727 0.877 -12.413 1.00 43.20 C ATOM 489 O PRO A 32 -2.498 1.128 -13.602 1.00 2.11 O ATOM 490 CB PRO A 32 -5.028 -0.263 -12.259 1.00 72.33 C ATOM 491 CG PRO A 32 -5.616 -0.046 -10.900 1.00 61.20 C ATOM 492 CD PRO A 32 -4.730 -0.775 -9.919 1.00 41.33 C ATOM 0 HA PRO A 32 -3.021 -1.172 -12.660 1.00 63.31 H new ATOM 0 HB2 PRO A 32 -5.240 0.579 -12.918 1.00 72.33 H new ATOM 0 HB3 PRO A 32 -5.448 -1.151 -12.731 1.00 72.33 H new ATOM 0 HG2 PRO A 32 -5.661 1.017 -10.664 1.00 61.20 H new ATOM 0 HG3 PRO A 32 -6.637 -0.426 -10.855 1.00 61.20 H new ATOM 0 HD2 PRO A 32 -4.680 -0.253 -8.964 1.00 41.33 H new ATOM 0 HD3 PRO A 32 -5.104 -1.778 -9.714 1.00 41.33 H new ATOM 500 N GLN A 33 -2.339 1.691 -11.415 1.00 61.04 N ATOM 501 CA GLN A 33 -1.573 2.945 -11.647 1.00 10.53 C ATOM 502 C GLN A 33 -0.056 2.671 -11.740 1.00 43.13 C ATOM 503 O GLN A 33 0.677 3.415 -12.408 1.00 64.14 O ATOM 504 CB GLN A 33 -1.885 3.955 -10.522 1.00 13.30 C ATOM 505 CG GLN A 33 -3.350 4.452 -10.518 1.00 60.42 C ATOM 506 CD GLN A 33 -3.836 4.892 -9.143 1.00 4.40 C ATOM 507 OE1 GLN A 33 -4.362 3.947 -8.386 1.00 22.21 O flip ATOM 508 NE2 GLN A 33 -3.719 6.050 -8.756 1.00 12.33 N flip ATOM 0 H GLN A 33 -2.541 1.508 -10.432 1.00 61.04 H new ATOM 0 HA GLN A 33 -1.881 3.369 -12.603 1.00 10.53 H new ATOM 0 HB2 GLN A 33 -1.665 3.492 -9.560 1.00 13.30 H new ATOM 0 HB3 GLN A 33 -1.220 4.813 -10.622 1.00 13.30 H new ATOM 0 HG2 GLN A 33 -3.445 5.287 -11.213 1.00 60.42 H new ATOM 0 HG3 GLN A 33 -3.997 3.656 -10.886 1.00 60.42 H new ATOM 0 HE21 GLN A 33 -3.307 6.754 -9.369 1.00 12.33 H new ATOM 0 HE22 GLN A 33 -4.033 6.309 -7.821 1.00 12.33 H new ATOM 517 N VAL A 34 0.413 1.611 -11.056 1.00 15.41 N ATOM 518 CA VAL A 34 1.810 1.158 -11.166 1.00 44.15 C ATOM 519 C VAL A 34 2.009 0.344 -12.474 1.00 20.35 C ATOM 520 O VAL A 34 1.429 -0.736 -12.639 1.00 33.30 O ATOM 521 CB VAL A 34 2.243 0.302 -9.921 1.00 5.44 C ATOM 522 CG1 VAL A 34 3.732 -0.110 -10.028 1.00 61.30 C ATOM 523 CG2 VAL A 34 1.954 1.057 -8.601 1.00 30.21 C ATOM 0 H VAL A 34 -0.157 1.052 -10.421 1.00 15.41 H new ATOM 0 HA VAL A 34 2.444 2.044 -11.195 1.00 44.15 H new ATOM 0 HB VAL A 34 1.648 -0.611 -9.911 1.00 5.44 H new ATOM 0 HG11 VAL A 34 4.009 -0.702 -9.156 1.00 61.30 H new ATOM 0 HG12 VAL A 34 3.882 -0.702 -10.931 1.00 61.30 H new ATOM 0 HG13 VAL A 34 4.354 0.784 -10.073 1.00 61.30 H new ATOM 0 HG21 VAL A 34 2.263 0.443 -7.755 1.00 30.21 H new ATOM 0 HG22 VAL A 34 2.509 1.995 -8.590 1.00 30.21 H new ATOM 0 HG23 VAL A 34 0.887 1.265 -8.527 1.00 30.21 H new ATOM 533 N SER A 35 2.810 0.897 -13.405 1.00 43.43 N ATOM 534 CA SER A 35 3.159 0.226 -14.681 1.00 12.11 C ATOM 535 C SER A 35 4.166 -0.922 -14.429 1.00 44.25 C ATOM 536 O SER A 35 3.865 -2.094 -14.684 1.00 25.41 O ATOM 537 CB SER A 35 3.741 1.256 -15.681 1.00 34.04 C ATOM 538 OG SER A 35 2.841 2.329 -15.913 1.00 22.20 O ATOM 0 H SER A 35 3.234 1.818 -13.298 1.00 43.43 H new ATOM 0 HA SER A 35 2.255 -0.203 -15.113 1.00 12.11 H new ATOM 0 HB2 SER A 35 4.682 1.647 -15.294 1.00 34.04 H new ATOM 0 HB3 SER A 35 3.966 0.760 -16.625 1.00 34.04 H new ATOM 0 HG SER A 35 3.241 2.960 -16.547 1.00 22.20 H new ATOM 544 N ALA A 36 5.362 -0.556 -13.920 1.00 12.14 N ATOM 545 CA ALA A 36 6.411 -1.508 -13.476 1.00 51.21 C ATOM 546 C ALA A 36 7.521 -0.755 -12.690 1.00 63.43 C ATOM 547 O ALA A 36 8.192 0.115 -13.258 1.00 10.35 O ATOM 548 CB ALA A 36 7.022 -2.280 -14.669 1.00 0.12 C ATOM 0 H ALA A 36 5.633 0.420 -13.803 1.00 12.14 H new ATOM 0 HA ALA A 36 5.942 -2.239 -12.817 1.00 51.21 H new ATOM 0 HB1 ALA A 36 7.786 -2.967 -14.305 1.00 0.12 H new ATOM 0 HB2 ALA A 36 6.239 -2.844 -15.177 1.00 0.12 H new ATOM 0 HB3 ALA A 36 7.472 -1.574 -15.367 1.00 0.12 H new ATOM 554 N PRO A 37 7.718 -1.050 -11.360 1.00 73.20 N ATOM 555 CA PRO A 37 8.754 -0.376 -10.540 1.00 13.22 C ATOM 556 C PRO A 37 10.156 -1.055 -10.633 1.00 73.33 C ATOM 557 O PRO A 37 10.265 -2.283 -10.724 1.00 41.11 O ATOM 558 CB PRO A 37 8.152 -0.483 -9.124 1.00 41.44 C ATOM 559 CG PRO A 37 7.419 -1.801 -9.117 1.00 2.51 C ATOM 560 CD PRO A 37 6.954 -2.045 -10.551 1.00 64.32 C ATOM 0 HA PRO A 37 8.957 0.644 -10.865 1.00 13.22 H new ATOM 0 HB2 PRO A 37 8.930 -0.458 -8.360 1.00 41.44 H new ATOM 0 HB3 PRO A 37 7.476 0.347 -8.917 1.00 41.44 H new ATOM 0 HG2 PRO A 37 8.071 -2.606 -8.778 1.00 2.51 H new ATOM 0 HG3 PRO A 37 6.570 -1.769 -8.434 1.00 2.51 H new ATOM 0 HD2 PRO A 37 7.167 -3.065 -10.870 1.00 64.32 H new ATOM 0 HD3 PRO A 37 5.879 -1.898 -10.651 1.00 64.32 H new ATOM 568 N THR A 38 11.216 -0.236 -10.591 1.00 13.35 N ATOM 569 CA THR A 38 12.622 -0.693 -10.639 1.00 51.51 C ATOM 570 C THR A 38 13.180 -0.809 -9.214 1.00 22.41 C ATOM 571 O THR A 38 13.107 0.147 -8.441 1.00 62.11 O ATOM 572 CB THR A 38 13.500 0.300 -11.474 1.00 41.21 C ATOM 573 OG1 THR A 38 13.077 0.268 -12.849 1.00 21.53 O ATOM 574 CG2 THR A 38 15.012 -0.010 -11.391 1.00 4.41 C ATOM 0 H THR A 38 11.125 0.778 -10.522 1.00 13.35 H new ATOM 0 HA THR A 38 12.652 -1.670 -11.121 1.00 51.51 H new ATOM 0 HB THR A 38 13.357 1.292 -11.047 1.00 41.21 H new ATOM 0 HG1 THR A 38 13.719 0.763 -13.400 1.00 21.53 H new ATOM 0 HG21 THR A 38 15.565 0.713 -11.990 1.00 4.41 H new ATOM 0 HG22 THR A 38 15.340 0.053 -10.353 1.00 4.41 H new ATOM 0 HG23 THR A 38 15.199 -1.015 -11.771 1.00 4.41 H new ATOM 582 N LEU A 39 13.737 -1.980 -8.864 1.00 53.44 N ATOM 583 CA LEU A 39 14.310 -2.216 -7.523 1.00 23.11 C ATOM 584 C LEU A 39 15.834 -2.323 -7.578 1.00 3.04 C ATOM 585 O LEU A 39 16.414 -2.831 -8.544 1.00 65.21 O ATOM 586 CB LEU A 39 13.680 -3.453 -6.815 1.00 62.20 C ATOM 587 CG LEU A 39 12.296 -3.189 -6.132 1.00 53.35 C ATOM 588 CD1 LEU A 39 11.169 -2.975 -7.157 1.00 2.12 C ATOM 589 CD2 LEU A 39 11.940 -4.303 -5.139 1.00 54.42 C ATOM 0 H LEU A 39 13.804 -2.782 -9.491 1.00 53.44 H new ATOM 0 HA LEU A 39 14.057 -1.345 -6.918 1.00 23.11 H new ATOM 0 HB2 LEU A 39 13.560 -4.251 -7.548 1.00 62.20 H new ATOM 0 HB3 LEU A 39 14.378 -3.816 -6.060 1.00 62.20 H new ATOM 0 HG LEU A 39 12.395 -2.259 -5.572 1.00 53.35 H new ATOM 0 HD11 LEU A 39 10.230 -2.796 -6.633 1.00 2.12 H new ATOM 0 HD12 LEU A 39 11.405 -2.115 -7.783 1.00 2.12 H new ATOM 0 HD13 LEU A 39 11.072 -3.863 -7.782 1.00 2.12 H new ATOM 0 HD21 LEU A 39 10.974 -4.089 -4.683 1.00 54.42 H new ATOM 0 HD22 LEU A 39 11.890 -5.257 -5.665 1.00 54.42 H new ATOM 0 HD23 LEU A 39 12.704 -4.356 -4.363 1.00 54.42 H new ATOM 601 N ARG A 40 16.463 -1.831 -6.506 1.00 25.13 N ATOM 602 CA ARG A 40 17.919 -1.740 -6.384 1.00 22.50 C ATOM 603 C ARG A 40 18.342 -1.869 -4.898 1.00 31.52 C ATOM 604 O ARG A 40 17.649 -1.358 -4.003 1.00 40.53 O ATOM 605 CB ARG A 40 18.414 -0.400 -7.006 1.00 4.12 C ATOM 606 CG ARG A 40 17.691 0.857 -6.461 1.00 72.32 C ATOM 607 CD ARG A 40 18.140 2.153 -7.155 1.00 30.11 C ATOM 608 NE ARG A 40 17.439 3.343 -6.627 1.00 5.13 N ATOM 609 CZ ARG A 40 17.145 4.428 -7.311 1.00 12.02 C ATOM 610 NH1 ARG A 40 17.458 4.555 -8.567 1.00 22.10 N ATOM 611 NH2 ARG A 40 16.519 5.394 -6.723 1.00 3.51 N ATOM 0 H ARG A 40 15.966 -1.480 -5.687 1.00 25.13 H new ATOM 0 HA ARG A 40 18.383 -2.561 -6.931 1.00 22.50 H new ATOM 0 HB2 ARG A 40 19.483 -0.299 -6.821 1.00 4.12 H new ATOM 0 HB3 ARG A 40 18.280 -0.443 -8.087 1.00 4.12 H new ATOM 0 HG2 ARG A 40 16.615 0.736 -6.590 1.00 72.32 H new ATOM 0 HG3 ARG A 40 17.877 0.941 -5.390 1.00 72.32 H new ATOM 0 HD2 ARG A 40 19.215 2.279 -7.024 1.00 30.11 H new ATOM 0 HD3 ARG A 40 17.957 2.071 -8.226 1.00 30.11 H new ATOM 0 HE ARG A 40 17.159 3.321 -5.647 1.00 5.13 H new ATOM 0 HH11 ARG A 40 17.946 3.800 -9.050 1.00 22.10 H new ATOM 0 HH12 ARG A 40 17.216 5.409 -9.069 1.00 22.10 H new ATOM 0 HH21 ARG A 40 16.259 5.310 -5.740 1.00 3.51 H new ATOM 0 HH22 ARG A 40 16.285 6.241 -7.242 1.00 3.51 H new ATOM 625 N GLY A 41 19.528 -2.475 -4.675 1.00 62.30 N ATOM 626 CA GLY A 41 20.015 -2.935 -3.347 1.00 50.13 C ATOM 627 C GLY A 41 19.026 -3.735 -2.452 1.00 54.14 C ATOM 628 O GLY A 41 17.808 -3.613 -2.568 1.00 41.45 O ATOM 0 H GLY A 41 20.191 -2.664 -5.426 1.00 62.30 H new ATOM 0 HA2 GLY A 41 20.897 -3.555 -3.509 1.00 50.13 H new ATOM 0 HA3 GLY A 41 20.340 -2.058 -2.787 1.00 50.13 H new ATOM 632 N ALA A 42 19.605 -4.590 -1.570 1.00 22.45 N ATOM 633 CA ALA A 42 18.893 -5.371 -0.511 1.00 11.13 C ATOM 634 C ALA A 42 18.035 -6.573 -1.029 1.00 65.33 C ATOM 635 O ALA A 42 18.210 -7.673 -0.501 1.00 52.53 O ATOM 636 CB ALA A 42 18.063 -4.459 0.416 1.00 25.51 C ATOM 0 H ALA A 42 20.610 -4.764 -1.572 1.00 22.45 H new ATOM 0 HA ALA A 42 19.698 -5.826 0.066 1.00 11.13 H new ATOM 0 HB1 ALA A 42 17.562 -5.066 1.170 1.00 25.51 H new ATOM 0 HB2 ALA A 42 18.722 -3.742 0.906 1.00 25.51 H new ATOM 0 HB3 ALA A 42 17.318 -3.924 -0.172 1.00 25.51 H new ATOM 642 N SER A 43 17.147 -6.335 -2.048 1.00 61.34 N ATOM 643 CA SER A 43 16.125 -7.292 -2.630 1.00 33.01 C ATOM 644 C SER A 43 14.682 -6.992 -2.107 1.00 52.23 C ATOM 645 O SER A 43 14.535 -6.528 -0.978 1.00 53.11 O ATOM 646 CB SER A 43 16.465 -8.804 -2.452 1.00 62.53 C ATOM 647 OG SER A 43 17.683 -9.136 -3.099 1.00 63.41 O ATOM 0 H SER A 43 17.117 -5.428 -2.514 1.00 61.34 H new ATOM 0 HA SER A 43 16.165 -7.103 -3.703 1.00 33.01 H new ATOM 0 HB2 SER A 43 16.538 -9.040 -1.390 1.00 62.53 H new ATOM 0 HB3 SER A 43 15.657 -9.411 -2.859 1.00 62.53 H new ATOM 0 HG SER A 43 18.437 -8.802 -2.569 1.00 63.41 H new ATOM 653 N PRO A 44 13.595 -7.232 -2.947 1.00 43.15 N ATOM 654 CA PRO A 44 12.160 -6.944 -2.587 1.00 30.42 C ATOM 655 C PRO A 44 11.690 -7.494 -1.207 1.00 51.51 C ATOM 656 O PRO A 44 10.915 -6.840 -0.505 1.00 52.31 O ATOM 657 CB PRO A 44 11.342 -7.609 -3.749 1.00 63.33 C ATOM 658 CG PRO A 44 12.335 -8.420 -4.529 1.00 21.34 C ATOM 659 CD PRO A 44 13.668 -7.731 -4.349 1.00 22.14 C ATOM 0 HA PRO A 44 12.017 -5.869 -2.483 1.00 30.42 H new ATOM 0 HB2 PRO A 44 10.544 -8.239 -3.356 1.00 63.33 H new ATOM 0 HB3 PRO A 44 10.871 -6.854 -4.379 1.00 63.33 H new ATOM 0 HG2 PRO A 44 12.374 -9.446 -4.164 1.00 21.34 H new ATOM 0 HG3 PRO A 44 12.059 -8.467 -5.582 1.00 21.34 H new ATOM 0 HD2 PRO A 44 14.501 -8.419 -4.491 1.00 22.14 H new ATOM 0 HD3 PRO A 44 13.802 -6.917 -5.062 1.00 22.14 H new ATOM 667 N HIS A 45 12.147 -8.703 -0.839 1.00 4.21 N ATOM 668 CA HIS A 45 11.769 -9.349 0.445 1.00 32.35 C ATOM 669 C HIS A 45 12.759 -9.004 1.595 1.00 13.34 C ATOM 670 O HIS A 45 12.678 -9.585 2.676 1.00 53.11 O ATOM 671 CB HIS A 45 11.654 -10.890 0.253 1.00 42.04 C ATOM 672 CG HIS A 45 10.439 -11.317 -0.533 1.00 61.33 C ATOM 673 ND1 HIS A 45 9.346 -11.927 0.050 1.00 41.45 N ATOM 674 CD2 HIS A 45 10.150 -11.232 -1.859 1.00 54.52 C ATOM 675 CE1 HIS A 45 8.443 -12.185 -0.868 1.00 1.21 C ATOM 676 NE2 HIS A 45 8.903 -11.780 -2.036 1.00 73.00 N ATOM 0 H HIS A 45 12.782 -9.261 -1.410 1.00 4.21 H new ATOM 0 HA HIS A 45 10.798 -8.953 0.740 1.00 32.35 H new ATOM 0 HB2 HIS A 45 12.549 -11.251 -0.254 1.00 42.04 H new ATOM 0 HB3 HIS A 45 11.628 -11.368 1.232 1.00 42.04 H new ATOM 0 HD1 HIS A 45 9.254 -12.144 1.042 1.00 41.45 H new ATOM 0 HD2 HIS A 45 10.782 -10.813 -2.628 1.00 54.52 H new ATOM 0 HE1 HIS A 45 7.484 -12.651 -0.695 1.00 1.21 H new ATOM 685 N THR A 46 13.661 -8.036 1.367 1.00 12.24 N ATOM 686 CA THR A 46 14.668 -7.591 2.366 1.00 32.21 C ATOM 687 C THR A 46 14.544 -6.059 2.622 1.00 13.34 C ATOM 688 O THR A 46 14.668 -5.264 1.678 1.00 3.22 O ATOM 689 CB THR A 46 16.120 -7.933 1.888 1.00 24.21 C ATOM 690 OG1 THR A 46 16.281 -9.355 1.769 1.00 23.01 O ATOM 691 CG2 THR A 46 17.212 -7.391 2.827 1.00 42.04 C ATOM 0 H THR A 46 13.719 -7.532 0.482 1.00 12.24 H new ATOM 0 HA THR A 46 14.473 -8.124 3.297 1.00 32.21 H new ATOM 0 HB THR A 46 16.242 -7.445 0.921 1.00 24.21 H new ATOM 0 HG1 THR A 46 17.191 -9.557 1.468 1.00 23.01 H new ATOM 0 HG21 THR A 46 18.194 -7.662 2.438 1.00 42.04 H new ATOM 0 HG22 THR A 46 17.133 -6.306 2.888 1.00 42.04 H new ATOM 0 HG23 THR A 46 17.084 -7.821 3.821 1.00 42.04 H new ATOM 699 N PRO A 47 14.245 -5.625 3.895 1.00 21.11 N ATOM 700 CA PRO A 47 14.228 -4.181 4.289 1.00 4.23 C ATOM 701 C PRO A 47 15.531 -3.416 3.925 1.00 0.22 C ATOM 702 O PRO A 47 16.639 -3.867 4.242 1.00 54.14 O ATOM 703 CB PRO A 47 14.004 -4.248 5.823 1.00 3.23 C ATOM 704 CG PRO A 47 13.247 -5.526 6.021 1.00 65.45 C ATOM 705 CD PRO A 47 13.848 -6.498 5.035 1.00 62.03 C ATOM 0 HA PRO A 47 13.461 -3.620 3.755 1.00 4.23 H new ATOM 0 HB2 PRO A 47 14.950 -4.256 6.365 1.00 3.23 H new ATOM 0 HB3 PRO A 47 13.438 -3.389 6.182 1.00 3.23 H new ATOM 0 HG2 PRO A 47 13.348 -5.889 7.044 1.00 65.45 H new ATOM 0 HG3 PRO A 47 12.182 -5.386 5.836 1.00 65.45 H new ATOM 0 HD2 PRO A 47 14.705 -7.022 5.458 1.00 62.03 H new ATOM 0 HD3 PRO A 47 13.129 -7.258 4.729 1.00 62.03 H new ATOM 713 N GLY A 48 15.371 -2.262 3.252 1.00 13.23 N ATOM 714 CA GLY A 48 16.498 -1.459 2.736 1.00 71.54 C ATOM 715 C GLY A 48 16.485 -1.322 1.209 1.00 55.43 C ATOM 716 O GLY A 48 17.266 -0.549 0.646 1.00 15.03 O ATOM 0 H GLY A 48 14.456 -1.858 3.050 1.00 13.23 H new ATOM 0 HA2 GLY A 48 16.465 -0.466 3.185 1.00 71.54 H new ATOM 0 HA3 GLY A 48 17.437 -1.918 3.046 1.00 71.54 H new ATOM 720 N ALA A 49 15.612 -2.108 0.538 1.00 65.10 N ATOM 721 CA ALA A 49 15.421 -2.046 -0.935 1.00 10.42 C ATOM 722 C ALA A 49 14.679 -0.767 -1.366 1.00 61.24 C ATOM 723 O ALA A 49 13.926 -0.198 -0.589 1.00 4.23 O ATOM 724 CB ALA A 49 14.650 -3.286 -1.412 1.00 70.43 C ATOM 0 H ALA A 49 15.021 -2.801 0.997 1.00 65.10 H new ATOM 0 HA ALA A 49 16.408 -2.025 -1.397 1.00 10.42 H new ATOM 0 HB1 ALA A 49 14.513 -3.236 -2.492 1.00 70.43 H new ATOM 0 HB2 ALA A 49 15.213 -4.184 -1.159 1.00 70.43 H new ATOM 0 HB3 ALA A 49 13.676 -3.319 -0.924 1.00 70.43 H new ATOM 730 N GLU A 50 14.888 -0.324 -2.618 1.00 24.44 N ATOM 731 CA GLU A 50 14.188 0.857 -3.184 1.00 14.34 C ATOM 732 C GLU A 50 13.225 0.456 -4.318 1.00 1.33 C ATOM 733 O GLU A 50 13.629 -0.229 -5.245 1.00 1.22 O ATOM 734 CB GLU A 50 15.210 1.894 -3.712 1.00 21.11 C ATOM 735 CG GLU A 50 16.066 2.571 -2.622 1.00 13.10 C ATOM 736 CD GLU A 50 16.978 3.679 -3.176 1.00 42.51 C ATOM 737 OE1 GLU A 50 16.465 4.588 -3.860 1.00 21.20 O ATOM 738 OE2 GLU A 50 18.199 3.660 -2.927 1.00 72.05 O ATOM 0 H GLU A 50 15.540 -0.766 -3.266 1.00 24.44 H new ATOM 0 HA GLU A 50 13.603 1.303 -2.380 1.00 14.34 H new ATOM 0 HB2 GLU A 50 15.874 1.400 -4.421 1.00 21.11 H new ATOM 0 HB3 GLU A 50 14.672 2.665 -4.263 1.00 21.11 H new ATOM 0 HG2 GLU A 50 15.409 2.995 -1.863 1.00 13.10 H new ATOM 0 HG3 GLU A 50 16.679 1.817 -2.128 1.00 13.10 H new ATOM 745 N ARG A 51 11.955 0.906 -4.240 1.00 50.41 N ATOM 746 CA ARG A 51 10.925 0.644 -5.275 1.00 33.20 C ATOM 747 C ARG A 51 10.645 1.946 -6.070 1.00 45.10 C ATOM 748 O ARG A 51 9.947 2.837 -5.591 1.00 21.02 O ATOM 749 CB ARG A 51 9.639 0.096 -4.581 1.00 51.05 C ATOM 750 CG ARG A 51 8.547 -0.435 -5.532 1.00 42.31 C ATOM 751 CD ARG A 51 7.440 -1.241 -4.811 1.00 1.12 C ATOM 752 NE ARG A 51 6.663 -0.444 -3.841 1.00 3.12 N ATOM 753 CZ ARG A 51 5.560 -0.839 -3.224 1.00 73.20 C ATOM 754 NH1 ARG A 51 5.070 -2.027 -3.388 1.00 33.35 N ATOM 755 NH2 ARG A 51 4.967 -0.033 -2.412 1.00 13.33 N ATOM 0 H ARG A 51 11.611 1.463 -3.457 1.00 50.41 H new ATOM 0 HA ARG A 51 11.275 -0.106 -5.985 1.00 33.20 H new ATOM 0 HB2 ARG A 51 9.927 -0.707 -3.902 1.00 51.05 H new ATOM 0 HB3 ARG A 51 9.210 0.891 -3.971 1.00 51.05 H new ATOM 0 HG2 ARG A 51 8.091 0.406 -6.055 1.00 42.31 H new ATOM 0 HG3 ARG A 51 9.011 -1.067 -6.289 1.00 42.31 H new ATOM 0 HD2 ARG A 51 6.760 -1.654 -5.556 1.00 1.12 H new ATOM 0 HD3 ARG A 51 7.896 -2.085 -4.293 1.00 1.12 H new ATOM 0 HE ARG A 51 7.006 0.493 -3.628 1.00 3.12 H new ATOM 0 HH11 ARG A 51 5.536 -2.690 -4.008 1.00 33.35 H new ATOM 0 HH12 ARG A 51 4.218 -2.300 -2.897 1.00 33.35 H new ATOM 0 HH21 ARG A 51 5.348 0.899 -2.250 1.00 13.33 H new ATOM 0 HH22 ARG A 51 4.117 -0.327 -1.932 1.00 13.33 H new ATOM 769 N VAL A 52 11.191 2.052 -7.297 1.00 54.22 N ATOM 770 CA VAL A 52 11.168 3.315 -8.076 1.00 14.14 C ATOM 771 C VAL A 52 10.159 3.236 -9.249 1.00 44.33 C ATOM 772 O VAL A 52 10.412 2.593 -10.269 1.00 63.32 O ATOM 773 CB VAL A 52 12.598 3.696 -8.611 1.00 22.23 C ATOM 774 CG1 VAL A 52 12.584 5.089 -9.301 1.00 32.31 C ATOM 775 CG2 VAL A 52 13.643 3.648 -7.468 1.00 54.52 C ATOM 0 H VAL A 52 11.655 1.279 -7.775 1.00 54.22 H new ATOM 0 HA VAL A 52 10.843 4.101 -7.394 1.00 14.14 H new ATOM 0 HB VAL A 52 12.886 2.959 -9.361 1.00 22.23 H new ATOM 0 HG11 VAL A 52 13.585 5.327 -9.661 1.00 32.31 H new ATOM 0 HG12 VAL A 52 11.891 5.072 -10.142 1.00 32.31 H new ATOM 0 HG13 VAL A 52 12.267 5.847 -8.585 1.00 32.31 H new ATOM 0 HG21 VAL A 52 14.624 3.915 -7.861 1.00 54.52 H new ATOM 0 HG22 VAL A 52 13.361 4.354 -6.687 1.00 54.52 H new ATOM 0 HG23 VAL A 52 13.680 2.642 -7.051 1.00 54.52 H new ATOM 785 N PHE A 53 9.013 3.903 -9.074 1.00 23.33 N ATOM 786 CA PHE A 53 7.909 3.931 -10.053 1.00 1.33 C ATOM 787 C PHE A 53 8.245 4.853 -11.253 1.00 60.21 C ATOM 788 O PHE A 53 7.876 6.032 -11.271 1.00 40.14 O ATOM 789 CB PHE A 53 6.610 4.383 -9.333 1.00 70.42 C ATOM 790 CG PHE A 53 6.258 3.532 -8.106 1.00 15.41 C ATOM 791 CD1 PHE A 53 5.486 2.388 -8.237 1.00 65.03 C ATOM 792 CD2 PHE A 53 6.706 3.873 -6.825 1.00 51.45 C ATOM 793 CE1 PHE A 53 5.162 1.613 -7.141 1.00 55.02 C ATOM 794 CE2 PHE A 53 6.380 3.097 -5.727 1.00 2.31 C ATOM 795 CZ PHE A 53 5.606 1.966 -5.890 1.00 21.34 C ATOM 0 H PHE A 53 8.819 4.450 -8.235 1.00 23.33 H new ATOM 0 HA PHE A 53 7.761 2.931 -10.460 1.00 1.33 H new ATOM 0 HB2 PHE A 53 6.719 5.423 -9.024 1.00 70.42 H new ATOM 0 HB3 PHE A 53 5.781 4.346 -10.040 1.00 70.42 H new ATOM 0 HD1 PHE A 53 5.131 2.097 -9.215 1.00 65.03 H new ATOM 0 HD2 PHE A 53 7.315 4.755 -6.691 1.00 51.45 H new ATOM 0 HE1 PHE A 53 4.558 0.727 -7.268 1.00 55.02 H new ATOM 0 HE2 PHE A 53 6.731 3.376 -4.744 1.00 2.31 H new ATOM 0 HZ PHE A 53 5.350 1.359 -5.034 1.00 21.34 H new ATOM 805 N GLY A 54 9.001 4.305 -12.228 1.00 3.14 N ATOM 806 CA GLY A 54 9.411 5.046 -13.439 1.00 54.41 C ATOM 807 C GLY A 54 10.879 4.796 -13.805 1.00 20.33 C ATOM 808 O GLY A 54 11.174 4.270 -14.885 1.00 60.41 O ATOM 0 H GLY A 54 9.342 3.344 -12.199 1.00 3.14 H new ATOM 0 HA2 GLY A 54 8.775 4.752 -14.274 1.00 54.41 H new ATOM 0 HA3 GLY A 54 9.255 6.113 -13.280 1.00 54.41 H new ATOM 812 N ALA A 55 11.788 5.211 -12.889 1.00 73.32 N ATOM 813 CA ALA A 55 13.271 5.016 -12.967 1.00 12.30 C ATOM 814 C ALA A 55 14.006 5.904 -14.017 1.00 32.21 C ATOM 815 O ALA A 55 14.971 6.597 -13.675 1.00 11.03 O ATOM 816 CB ALA A 55 13.635 3.534 -13.156 1.00 73.13 C ATOM 0 H ALA A 55 11.507 5.708 -12.044 1.00 73.32 H new ATOM 0 HA ALA A 55 13.638 5.359 -12.000 1.00 12.30 H new ATOM 0 HB1 ALA A 55 14.719 3.429 -13.209 1.00 73.13 H new ATOM 0 HB2 ALA A 55 13.255 2.956 -12.314 1.00 73.13 H new ATOM 0 HB3 ALA A 55 13.190 3.165 -14.080 1.00 73.13 H new ATOM 822 N GLY A 56 13.556 5.877 -15.281 1.00 42.14 N ATOM 823 CA GLY A 56 14.261 6.555 -16.401 1.00 70.54 C ATOM 824 C GLY A 56 13.432 7.669 -17.039 1.00 42.13 C ATOM 825 O GLY A 56 13.465 7.875 -18.257 1.00 75.04 O ATOM 0 H GLY A 56 12.704 5.393 -15.563 1.00 42.14 H new ATOM 0 HA2 GLY A 56 15.199 6.972 -16.034 1.00 70.54 H new ATOM 0 HA3 GLY A 56 14.516 5.818 -17.162 1.00 70.54 H new ATOM 829 N THR A 57 12.693 8.396 -16.193 1.00 42.04 N ATOM 830 CA THR A 57 11.750 9.465 -16.612 1.00 1.31 C ATOM 831 C THR A 57 12.148 10.823 -15.979 1.00 42.44 C ATOM 832 O THR A 57 13.273 10.992 -15.512 1.00 25.11 O ATOM 833 CB THR A 57 10.284 9.095 -16.177 1.00 31.30 C ATOM 834 OG1 THR A 57 10.212 8.941 -14.746 1.00 13.41 O ATOM 835 CG2 THR A 57 9.767 7.813 -16.856 1.00 33.13 C ATOM 0 H THR A 57 12.726 8.264 -15.182 1.00 42.04 H new ATOM 0 HA THR A 57 11.795 9.553 -17.697 1.00 1.31 H new ATOM 0 HB THR A 57 9.646 9.918 -16.499 1.00 31.30 H new ATOM 0 HG1 THR A 57 9.295 8.712 -14.487 1.00 13.41 H new ATOM 0 HG21 THR A 57 8.751 7.607 -16.518 1.00 33.13 H new ATOM 0 HG22 THR A 57 9.770 7.948 -17.938 1.00 33.13 H new ATOM 0 HG23 THR A 57 10.414 6.976 -16.593 1.00 33.13 H new ATOM 843 N GLU A 58 11.233 11.804 -16.027 1.00 41.04 N ATOM 844 CA GLU A 58 11.330 13.069 -15.251 1.00 33.12 C ATOM 845 C GLU A 58 10.066 13.235 -14.358 1.00 42.20 C ATOM 846 O GLU A 58 9.680 14.353 -13.988 1.00 63.31 O ATOM 847 CB GLU A 58 11.498 14.270 -16.224 1.00 14.02 C ATOM 848 CG GLU A 58 12.809 14.257 -17.037 1.00 31.34 C ATOM 849 CD GLU A 58 12.967 15.505 -17.917 1.00 20.30 C ATOM 850 OE1 GLU A 58 13.384 16.563 -17.396 1.00 31.34 O ATOM 851 OE2 GLU A 58 12.668 15.443 -19.127 1.00 63.24 O ATOM 0 H GLU A 58 10.396 11.750 -16.607 1.00 41.04 H new ATOM 0 HA GLU A 58 12.203 13.037 -14.600 1.00 33.12 H new ATOM 0 HB2 GLU A 58 10.656 14.281 -16.916 1.00 14.02 H new ATOM 0 HB3 GLU A 58 11.450 15.195 -15.650 1.00 14.02 H new ATOM 0 HG2 GLU A 58 13.656 14.188 -16.354 1.00 31.34 H new ATOM 0 HG3 GLU A 58 12.834 13.367 -17.666 1.00 31.34 H new ATOM 858 N GLU A 59 9.463 12.083 -13.987 1.00 34.21 N ATOM 859 CA GLU A 59 8.168 12.014 -13.260 1.00 51.23 C ATOM 860 C GLU A 59 8.118 10.809 -12.275 1.00 11.43 C ATOM 861 O GLU A 59 7.056 10.510 -11.711 1.00 1.05 O ATOM 862 CB GLU A 59 7.007 11.895 -14.295 1.00 23.43 C ATOM 863 CG GLU A 59 7.114 10.664 -15.225 1.00 33.33 C ATOM 864 CD GLU A 59 5.895 10.471 -16.145 1.00 51.11 C ATOM 865 OE1 GLU A 59 4.903 9.842 -15.709 1.00 14.32 O ATOM 866 OE2 GLU A 59 5.923 10.945 -17.302 1.00 12.42 O ATOM 0 H GLU A 59 9.862 11.165 -14.184 1.00 34.21 H new ATOM 0 HA GLU A 59 8.061 12.925 -12.671 1.00 51.23 H new ATOM 0 HB2 GLU A 59 6.059 11.850 -13.758 1.00 23.43 H new ATOM 0 HB3 GLU A 59 6.985 12.798 -14.906 1.00 23.43 H new ATOM 0 HG2 GLU A 59 8.009 10.762 -15.839 1.00 33.33 H new ATOM 0 HG3 GLU A 59 7.242 9.770 -14.615 1.00 33.33 H new ATOM 873 N GLU A 60 9.269 10.137 -12.063 1.00 24.32 N ATOM 874 CA GLU A 60 9.329 8.895 -11.253 1.00 21.31 C ATOM 875 C GLU A 60 9.206 9.171 -9.737 1.00 54.02 C ATOM 876 O GLU A 60 9.585 10.236 -9.246 1.00 1.30 O ATOM 877 CB GLU A 60 10.619 8.060 -11.524 1.00 33.42 C ATOM 878 CG GLU A 60 11.978 8.740 -11.219 1.00 2.01 C ATOM 879 CD GLU A 60 12.492 9.627 -12.363 1.00 22.21 C ATOM 880 OE1 GLU A 60 13.168 9.097 -13.269 1.00 53.44 O ATOM 881 OE2 GLU A 60 12.195 10.840 -12.385 1.00 20.21 O ATOM 0 H GLU A 60 10.170 10.431 -12.440 1.00 24.32 H new ATOM 0 HA GLU A 60 8.467 8.309 -11.572 1.00 21.31 H new ATOM 0 HB2 GLU A 60 10.559 7.145 -10.935 1.00 33.42 H new ATOM 0 HB3 GLU A 60 10.617 7.765 -12.573 1.00 33.42 H new ATOM 0 HG2 GLU A 60 11.878 9.345 -10.318 1.00 2.01 H new ATOM 0 HG3 GLU A 60 12.720 7.971 -11.005 1.00 2.01 H new ATOM 888 N LEU A 61 8.682 8.173 -9.016 1.00 21.34 N ATOM 889 CA LEU A 61 8.571 8.185 -7.543 1.00 1.33 C ATOM 890 C LEU A 61 9.607 7.211 -6.948 1.00 72.44 C ATOM 891 O LEU A 61 9.569 6.017 -7.239 1.00 63.32 O ATOM 892 CB LEU A 61 7.125 7.788 -7.116 1.00 51.54 C ATOM 893 CG LEU A 61 6.886 7.506 -5.592 1.00 62.23 C ATOM 894 CD1 LEU A 61 7.289 8.705 -4.708 1.00 64.34 C ATOM 895 CD2 LEU A 61 5.422 7.079 -5.328 1.00 4.32 C ATOM 0 H LEU A 61 8.317 7.320 -9.440 1.00 21.34 H new ATOM 0 HA LEU A 61 8.773 9.187 -7.165 1.00 1.33 H new ATOM 0 HB2 LEU A 61 6.450 8.587 -7.423 1.00 51.54 H new ATOM 0 HB3 LEU A 61 6.839 6.897 -7.675 1.00 51.54 H new ATOM 0 HG LEU A 61 7.535 6.676 -5.314 1.00 62.23 H new ATOM 0 HD11 LEU A 61 7.106 8.463 -3.661 1.00 64.34 H new ATOM 0 HD12 LEU A 61 8.348 8.922 -4.850 1.00 64.34 H new ATOM 0 HD13 LEU A 61 6.699 9.578 -4.987 1.00 64.34 H new ATOM 0 HD21 LEU A 61 5.285 6.890 -4.263 1.00 4.32 H new ATOM 0 HD22 LEU A 61 4.748 7.875 -5.645 1.00 4.32 H new ATOM 0 HD23 LEU A 61 5.201 6.171 -5.889 1.00 4.32 H new ATOM 907 N VAL A 62 10.532 7.721 -6.113 1.00 14.50 N ATOM 908 CA VAL A 62 11.547 6.879 -5.446 1.00 14.35 C ATOM 909 C VAL A 62 11.059 6.510 -4.028 1.00 43.40 C ATOM 910 O VAL A 62 10.911 7.375 -3.153 1.00 72.33 O ATOM 911 CB VAL A 62 12.945 7.594 -5.367 1.00 62.41 C ATOM 912 CG1 VAL A 62 14.006 6.723 -4.636 1.00 2.40 C ATOM 913 CG2 VAL A 62 13.439 8.008 -6.775 1.00 31.33 C ATOM 0 H VAL A 62 10.598 8.713 -5.883 1.00 14.50 H new ATOM 0 HA VAL A 62 11.678 5.975 -6.041 1.00 14.35 H new ATOM 0 HB VAL A 62 12.809 8.499 -4.774 1.00 62.41 H new ATOM 0 HG11 VAL A 62 14.956 7.257 -4.605 1.00 2.40 H new ATOM 0 HG12 VAL A 62 13.671 6.519 -3.619 1.00 2.40 H new ATOM 0 HG13 VAL A 62 14.136 5.782 -5.171 1.00 2.40 H new ATOM 0 HG21 VAL A 62 14.408 8.500 -6.691 1.00 31.33 H new ATOM 0 HG22 VAL A 62 13.536 7.122 -7.402 1.00 31.33 H new ATOM 0 HG23 VAL A 62 12.722 8.694 -7.225 1.00 31.33 H new ATOM 923 N GLU A 63 10.811 5.210 -3.826 1.00 54.24 N ATOM 924 CA GLU A 63 10.321 4.642 -2.557 1.00 1.10 C ATOM 925 C GLU A 63 11.395 3.693 -1.952 1.00 42.20 C ATOM 926 O GLU A 63 12.367 3.360 -2.623 1.00 23.12 O ATOM 927 CB GLU A 63 8.997 3.890 -2.828 1.00 24.11 C ATOM 928 CG GLU A 63 8.188 3.519 -1.579 1.00 4.13 C ATOM 929 CD GLU A 63 7.145 2.444 -1.862 1.00 31.31 C ATOM 930 OE1 GLU A 63 6.037 2.765 -2.348 1.00 4.34 O ATOM 931 OE2 GLU A 63 7.441 1.261 -1.621 1.00 24.02 O ATOM 0 H GLU A 63 10.947 4.507 -4.552 1.00 54.24 H new ATOM 0 HA GLU A 63 10.135 5.436 -1.834 1.00 1.10 H new ATOM 0 HB2 GLU A 63 8.373 4.507 -3.475 1.00 24.11 H new ATOM 0 HB3 GLU A 63 9.223 2.977 -3.379 1.00 24.11 H new ATOM 0 HG2 GLU A 63 8.866 3.168 -0.801 1.00 4.13 H new ATOM 0 HG3 GLU A 63 7.693 4.410 -1.192 1.00 4.13 H new ATOM 938 N ARG A 64 11.221 3.285 -0.680 1.00 54.44 N ATOM 939 CA ARG A 64 12.170 2.418 0.050 1.00 34.43 C ATOM 940 C ARG A 64 11.451 1.551 1.120 1.00 51.54 C ATOM 941 O ARG A 64 10.709 2.075 1.953 1.00 10.15 O ATOM 942 CB ARG A 64 13.277 3.283 0.726 1.00 24.02 C ATOM 943 CG ARG A 64 14.277 2.475 1.592 1.00 15.24 C ATOM 944 CD ARG A 64 15.491 3.300 2.064 1.00 4.11 C ATOM 945 NE ARG A 64 16.482 3.488 0.984 1.00 23.12 N ATOM 946 CZ ARG A 64 17.656 2.878 0.909 1.00 31.21 C ATOM 947 NH1 ARG A 64 18.054 2.054 1.836 1.00 14.23 N ATOM 948 NH2 ARG A 64 18.432 3.096 -0.098 1.00 34.33 N ATOM 0 H ARG A 64 10.409 3.550 -0.123 1.00 54.44 H new ATOM 0 HA ARG A 64 12.626 1.744 -0.676 1.00 34.43 H new ATOM 0 HB2 ARG A 64 13.831 3.813 -0.049 1.00 24.02 H new ATOM 0 HB3 ARG A 64 12.801 4.038 1.351 1.00 24.02 H new ATOM 0 HG2 ARG A 64 13.754 2.082 2.464 1.00 15.24 H new ATOM 0 HG3 ARG A 64 14.631 1.618 1.019 1.00 15.24 H new ATOM 0 HD2 ARG A 64 15.153 4.273 2.420 1.00 4.11 H new ATOM 0 HD3 ARG A 64 15.965 2.799 2.908 1.00 4.11 H new ATOM 0 HE ARG A 64 16.243 4.139 0.236 1.00 23.12 H new ATOM 0 HH11 ARG A 64 17.458 1.866 2.642 1.00 14.23 H new ATOM 0 HH12 ARG A 64 18.962 1.596 1.756 1.00 14.23 H new ATOM 0 HH21 ARG A 64 18.142 3.738 -0.836 1.00 34.33 H new ATOM 0 HH22 ARG A 64 19.336 2.627 -0.156 1.00 34.33 H new ATOM 962 N LEU A 65 11.706 0.229 1.092 1.00 44.43 N ATOM 963 CA LEU A 65 11.251 -0.722 2.129 1.00 41.13 C ATOM 964 C LEU A 65 11.974 -0.467 3.477 1.00 61.11 C ATOM 965 O LEU A 65 13.201 -0.378 3.527 1.00 15.04 O ATOM 966 CB LEU A 65 11.498 -2.182 1.649 1.00 33.44 C ATOM 967 CG LEU A 65 10.974 -3.326 2.578 1.00 33.03 C ATOM 968 CD1 LEU A 65 9.492 -3.128 2.918 1.00 63.12 C ATOM 969 CD2 LEU A 65 11.203 -4.714 1.936 1.00 20.13 C ATOM 0 H LEU A 65 12.238 -0.215 0.343 1.00 44.43 H new ATOM 0 HA LEU A 65 10.183 -0.573 2.290 1.00 41.13 H new ATOM 0 HB2 LEU A 65 11.035 -2.301 0.669 1.00 33.44 H new ATOM 0 HB3 LEU A 65 12.571 -2.319 1.513 1.00 33.44 H new ATOM 0 HG LEU A 65 11.544 -3.282 3.506 1.00 33.03 H new ATOM 0 HD11 LEU A 65 9.156 -3.938 3.565 1.00 63.12 H new ATOM 0 HD12 LEU A 65 9.361 -2.175 3.431 1.00 63.12 H new ATOM 0 HD13 LEU A 65 8.905 -3.129 2.000 1.00 63.12 H new ATOM 0 HD21 LEU A 65 10.829 -5.490 2.604 1.00 20.13 H new ATOM 0 HD22 LEU A 65 10.673 -4.767 0.985 1.00 20.13 H new ATOM 0 HD23 LEU A 65 12.269 -4.865 1.766 1.00 20.13 H new ATOM 981 N VAL A 66 11.186 -0.348 4.559 1.00 71.31 N ATOM 982 CA VAL A 66 11.696 -0.055 5.925 1.00 51.22 C ATOM 983 C VAL A 66 11.757 -1.334 6.790 1.00 44.11 C ATOM 984 O VAL A 66 12.783 -1.637 7.410 1.00 13.40 O ATOM 985 CB VAL A 66 10.789 1.038 6.610 1.00 11.14 C ATOM 986 CG1 VAL A 66 11.173 1.300 8.092 1.00 11.13 C ATOM 987 CG2 VAL A 66 10.831 2.348 5.791 1.00 75.24 C ATOM 0 H VAL A 66 10.172 -0.451 4.519 1.00 71.31 H new ATOM 0 HA VAL A 66 12.713 0.329 5.837 1.00 51.22 H new ATOM 0 HB VAL A 66 9.770 0.651 6.622 1.00 11.14 H new ATOM 0 HG11 VAL A 66 10.514 2.061 8.509 1.00 11.13 H new ATOM 0 HG12 VAL A 66 11.069 0.377 8.663 1.00 11.13 H new ATOM 0 HG13 VAL A 66 12.206 1.645 8.145 1.00 11.13 H new ATOM 0 HG21 VAL A 66 10.202 3.098 6.271 1.00 75.24 H new ATOM 0 HG22 VAL A 66 11.857 2.713 5.741 1.00 75.24 H new ATOM 0 HG23 VAL A 66 10.464 2.158 4.782 1.00 75.24 H new ATOM 997 N GLU A 67 10.638 -2.059 6.827 1.00 65.02 N ATOM 998 CA GLU A 67 10.497 -3.338 7.551 1.00 70.15 C ATOM 999 C GLU A 67 9.470 -4.221 6.820 1.00 24.25 C ATOM 1000 O GLU A 67 8.546 -3.711 6.195 1.00 63.22 O ATOM 1001 CB GLU A 67 10.057 -3.091 9.029 1.00 11.53 C ATOM 1002 CG GLU A 67 9.821 -4.363 9.888 1.00 52.23 C ATOM 1003 CD GLU A 67 11.076 -5.253 10.069 1.00 52.14 C ATOM 1004 OE1 GLU A 67 11.840 -5.036 11.032 1.00 55.23 O ATOM 1005 OE2 GLU A 67 11.304 -6.175 9.253 1.00 63.11 O ATOM 0 H GLU A 67 9.784 -1.774 6.348 1.00 65.02 H new ATOM 0 HA GLU A 67 11.461 -3.847 7.572 1.00 70.15 H new ATOM 0 HB2 GLU A 67 10.818 -2.482 9.517 1.00 11.53 H new ATOM 0 HB3 GLU A 67 9.137 -2.506 9.021 1.00 11.53 H new ATOM 0 HG2 GLU A 67 9.459 -4.061 10.871 1.00 52.23 H new ATOM 0 HG3 GLU A 67 9.032 -4.957 9.427 1.00 52.23 H new ATOM 1012 N ARG A 68 9.643 -5.541 6.880 1.00 73.54 N ATOM 1013 CA ARG A 68 8.667 -6.496 6.326 1.00 31.12 C ATOM 1014 C ARG A 68 8.516 -7.705 7.274 1.00 13.31 C ATOM 1015 O ARG A 68 9.486 -8.414 7.554 1.00 32.03 O ATOM 1016 CB ARG A 68 9.099 -6.963 4.916 1.00 41.32 C ATOM 1017 CG ARG A 68 8.044 -7.821 4.172 1.00 24.45 C ATOM 1018 CD ARG A 68 8.608 -8.478 2.903 1.00 43.31 C ATOM 1019 NE ARG A 68 9.715 -9.397 3.225 1.00 72.34 N ATOM 1020 CZ ARG A 68 9.611 -10.699 3.382 1.00 64.25 C ATOM 1021 NH1 ARG A 68 8.495 -11.311 3.151 1.00 63.05 N ATOM 1022 NH2 ARG A 68 10.647 -11.371 3.747 1.00 32.03 N ATOM 0 H ARG A 68 10.456 -5.982 7.310 1.00 73.54 H new ATOM 0 HA ARG A 68 7.702 -5.996 6.236 1.00 31.12 H new ATOM 0 HB2 ARG A 68 9.328 -6.086 4.311 1.00 41.32 H new ATOM 0 HB3 ARG A 68 10.020 -7.539 5.004 1.00 41.32 H new ATOM 0 HG2 ARG A 68 7.671 -8.595 4.843 1.00 24.45 H new ATOM 0 HG3 ARG A 68 7.193 -7.194 3.905 1.00 24.45 H new ATOM 0 HD2 ARG A 68 7.816 -9.024 2.390 1.00 43.31 H new ATOM 0 HD3 ARG A 68 8.960 -7.707 2.217 1.00 43.31 H new ATOM 0 HE ARG A 68 10.643 -8.987 3.336 1.00 72.34 H new ATOM 0 HH11 ARG A 68 7.678 -10.783 2.842 1.00 63.05 H new ATOM 0 HH12 ARG A 68 8.432 -12.321 3.278 1.00 63.05 H new ATOM 0 HH21 ARG A 68 11.533 -10.893 3.910 1.00 32.03 H new ATOM 0 HH22 ARG A 68 10.581 -12.381 3.873 1.00 32.03 H new ATOM 1036 N ASP A 69 7.289 -7.906 7.767 1.00 5.41 N ATOM 1037 CA ASP A 69 6.900 -9.062 8.590 1.00 72.24 C ATOM 1038 C ASP A 69 6.145 -10.093 7.720 1.00 0.40 C ATOM 1039 O ASP A 69 4.975 -9.894 7.404 1.00 55.20 O ATOM 1040 CB ASP A 69 5.997 -8.607 9.768 1.00 54.35 C ATOM 1041 CG ASP A 69 6.656 -7.561 10.682 1.00 40.23 C ATOM 1042 OD1 ASP A 69 7.524 -7.940 11.500 1.00 24.42 O ATOM 1043 OD2 ASP A 69 6.301 -6.363 10.600 1.00 62.11 O ATOM 0 H ASP A 69 6.520 -7.256 7.603 1.00 5.41 H new ATOM 0 HA ASP A 69 7.801 -9.522 8.996 1.00 72.24 H new ATOM 0 HB2 ASP A 69 5.071 -8.195 9.367 1.00 54.35 H new ATOM 0 HB3 ASP A 69 5.726 -9.478 10.364 1.00 54.35 H new ATOM 1048 N GLU A 70 6.821 -11.182 7.318 1.00 43.03 N ATOM 1049 CA GLU A 70 6.195 -12.234 6.486 1.00 44.34 C ATOM 1050 C GLU A 70 5.251 -13.125 7.334 1.00 45.33 C ATOM 1051 O GLU A 70 4.151 -13.464 6.892 1.00 42.15 O ATOM 1052 CB GLU A 70 7.275 -13.075 5.753 1.00 44.11 C ATOM 1053 CG GLU A 70 6.716 -14.103 4.743 1.00 74.41 C ATOM 1054 CD GLU A 70 7.791 -14.697 3.811 1.00 50.34 C ATOM 1055 OE1 GLU A 70 8.065 -14.099 2.740 1.00 25.34 O ATOM 1056 OE2 GLU A 70 8.366 -15.756 4.138 1.00 10.35 O ATOM 0 H GLU A 70 7.798 -11.361 7.552 1.00 43.03 H new ATOM 0 HA GLU A 70 5.585 -11.749 5.724 1.00 44.34 H new ATOM 0 HB2 GLU A 70 7.948 -12.398 5.227 1.00 44.11 H new ATOM 0 HB3 GLU A 70 7.871 -13.604 6.497 1.00 44.11 H new ATOM 0 HG2 GLU A 70 6.233 -14.913 5.290 1.00 74.41 H new ATOM 0 HG3 GLU A 70 5.946 -13.624 4.138 1.00 74.41 H new ATOM 1063 N SER A 71 5.689 -13.468 8.564 1.00 62.54 N ATOM 1064 CA SER A 71 4.881 -14.261 9.528 1.00 23.33 C ATOM 1065 C SER A 71 3.667 -13.445 10.045 1.00 43.33 C ATOM 1066 O SER A 71 2.531 -13.928 10.021 1.00 33.02 O ATOM 1067 CB SER A 71 5.750 -14.717 10.725 1.00 42.12 C ATOM 1068 OG SER A 71 6.869 -15.483 10.307 1.00 2.41 O ATOM 0 H SER A 71 6.608 -13.206 8.920 1.00 62.54 H new ATOM 0 HA SER A 71 4.510 -15.140 9.001 1.00 23.33 H new ATOM 0 HB2 SER A 71 6.095 -13.843 11.277 1.00 42.12 H new ATOM 0 HB3 SER A 71 5.142 -15.307 11.411 1.00 42.12 H new ATOM 0 HG SER A 71 7.393 -15.750 11.090 1.00 2.41 H new ATOM 1074 N ALA A 72 3.932 -12.198 10.506 1.00 31.53 N ATOM 1075 CA ALA A 72 2.882 -11.281 11.040 1.00 55.21 C ATOM 1076 C ALA A 72 2.054 -10.588 9.920 1.00 24.32 C ATOM 1077 O ALA A 72 1.091 -9.866 10.215 1.00 1.10 O ATOM 1078 CB ALA A 72 3.511 -10.235 11.983 1.00 0.04 C ATOM 0 H ALA A 72 4.870 -11.797 10.520 1.00 31.53 H new ATOM 0 HA ALA A 72 2.182 -11.897 11.604 1.00 55.21 H new ATOM 0 HB1 ALA A 72 2.733 -9.574 12.364 1.00 0.04 H new ATOM 0 HB2 ALA A 72 3.997 -10.742 12.817 1.00 0.04 H new ATOM 0 HB3 ALA A 72 4.249 -9.649 11.436 1.00 0.04 H new ATOM 1084 N ARG A 73 2.464 -10.796 8.649 1.00 44.12 N ATOM 1085 CA ARG A 73 1.699 -10.402 7.437 1.00 25.22 C ATOM 1086 C ARG A 73 1.519 -8.853 7.338 1.00 43.53 C ATOM 1087 O ARG A 73 0.442 -8.336 7.001 1.00 2.52 O ATOM 1088 CB ARG A 73 0.343 -11.173 7.407 1.00 21.25 C ATOM 1089 CG ARG A 73 -0.257 -11.390 6.009 1.00 64.35 C ATOM 1090 CD ARG A 73 -1.601 -12.142 6.042 1.00 12.10 C ATOM 1091 NE ARG A 73 -1.580 -13.355 6.885 1.00 71.24 N ATOM 1092 CZ ARG A 73 -1.161 -14.549 6.519 1.00 61.15 C ATOM 1093 NH1 ARG A 73 -0.595 -14.753 5.372 1.00 52.55 N ATOM 1094 NH2 ARG A 73 -1.293 -15.545 7.331 1.00 74.53 N ATOM 0 H ARG A 73 3.351 -11.250 8.429 1.00 44.12 H new ATOM 0 HA ARG A 73 2.267 -10.683 6.550 1.00 25.22 H new ATOM 0 HB2 ARG A 73 0.486 -12.145 7.878 1.00 21.25 H new ATOM 0 HB3 ARG A 73 -0.380 -10.628 8.014 1.00 21.25 H new ATOM 0 HG2 ARG A 73 -0.400 -10.423 5.527 1.00 64.35 H new ATOM 0 HG3 ARG A 73 0.451 -11.950 5.398 1.00 64.35 H new ATOM 0 HD2 ARG A 73 -2.376 -11.468 6.409 1.00 12.10 H new ATOM 0 HD3 ARG A 73 -1.877 -12.421 5.025 1.00 12.10 H new ATOM 0 HE ARG A 73 -1.922 -13.259 7.841 1.00 71.24 H new ATOM 0 HH11 ARG A 73 -0.463 -13.977 4.723 1.00 52.55 H new ATOM 0 HH12 ARG A 73 -0.281 -15.690 5.118 1.00 52.55 H new ATOM 0 HH21 ARG A 73 -1.719 -15.403 8.247 1.00 74.53 H new ATOM 0 HH22 ARG A 73 -0.971 -16.473 7.056 1.00 74.53 H new ATOM 1108 N ARG A 74 2.628 -8.141 7.588 1.00 55.25 N ATOM 1109 CA ARG A 74 2.691 -6.661 7.646 1.00 14.43 C ATOM 1110 C ARG A 74 3.843 -6.132 6.752 1.00 73.32 C ATOM 1111 O ARG A 74 4.935 -6.683 6.774 1.00 21.41 O ATOM 1112 CB ARG A 74 2.919 -6.249 9.121 1.00 65.53 C ATOM 1113 CG ARG A 74 3.004 -4.734 9.398 1.00 43.25 C ATOM 1114 CD ARG A 74 3.334 -4.440 10.875 1.00 2.14 C ATOM 1115 NE ARG A 74 2.393 -5.126 11.784 1.00 52.34 N ATOM 1116 CZ ARG A 74 2.698 -6.074 12.654 1.00 23.11 C ATOM 1117 NH1 ARG A 74 3.918 -6.515 12.780 1.00 42.22 N ATOM 1118 NH2 ARG A 74 1.753 -6.596 13.368 1.00 75.12 N ATOM 0 H ARG A 74 3.531 -8.583 7.760 1.00 55.25 H new ATOM 0 HA ARG A 74 1.760 -6.231 7.276 1.00 14.43 H new ATOM 0 HB2 ARG A 74 2.109 -6.662 9.722 1.00 65.53 H new ATOM 0 HB3 ARG A 74 3.842 -6.713 9.468 1.00 65.53 H new ATOM 0 HG2 ARG A 74 3.768 -4.290 8.760 1.00 43.25 H new ATOM 0 HG3 ARG A 74 2.057 -4.263 9.136 1.00 43.25 H new ATOM 0 HD2 ARG A 74 4.352 -4.761 11.093 1.00 2.14 H new ATOM 0 HD3 ARG A 74 3.294 -3.365 11.051 1.00 2.14 H new ATOM 0 HE ARG A 74 1.415 -4.841 11.736 1.00 52.34 H new ATOM 0 HH11 ARG A 74 4.663 -6.128 12.200 1.00 42.22 H new ATOM 0 HH12 ARG A 74 4.128 -7.247 13.458 1.00 42.22 H new ATOM 0 HH21 ARG A 74 0.791 -6.275 13.255 1.00 75.12 H new ATOM 0 HH22 ARG A 74 1.970 -7.328 14.044 1.00 75.12 H new ATOM 1132 N LEU A 75 3.592 -5.080 5.961 1.00 10.04 N ATOM 1133 CA LEU A 75 4.595 -4.515 5.022 1.00 13.44 C ATOM 1134 C LEU A 75 4.791 -3.004 5.275 1.00 5.05 C ATOM 1135 O LEU A 75 3.967 -2.208 4.882 1.00 42.41 O ATOM 1136 CB LEU A 75 4.120 -4.773 3.556 1.00 12.33 C ATOM 1137 CG LEU A 75 5.030 -4.217 2.417 1.00 4.33 C ATOM 1138 CD1 LEU A 75 6.464 -4.745 2.547 1.00 51.35 C ATOM 1139 CD2 LEU A 75 4.445 -4.538 1.027 1.00 5.43 C ATOM 0 H LEU A 75 2.696 -4.593 5.947 1.00 10.04 H new ATOM 0 HA LEU A 75 5.556 -5.003 5.183 1.00 13.44 H new ATOM 0 HB2 LEU A 75 4.018 -5.849 3.416 1.00 12.33 H new ATOM 0 HB3 LEU A 75 3.126 -4.341 3.439 1.00 12.33 H new ATOM 0 HG LEU A 75 5.063 -3.132 2.521 1.00 4.33 H new ATOM 0 HD11 LEU A 75 7.075 -4.341 1.740 1.00 51.35 H new ATOM 0 HD12 LEU A 75 6.880 -4.437 3.506 1.00 51.35 H new ATOM 0 HD13 LEU A 75 6.458 -5.833 2.487 1.00 51.35 H new ATOM 0 HD21 LEU A 75 5.102 -4.138 0.255 1.00 5.43 H new ATOM 0 HD22 LEU A 75 4.361 -5.618 0.908 1.00 5.43 H new ATOM 0 HD23 LEU A 75 3.458 -4.085 0.934 1.00 5.43 H new ATOM 1151 N VAL A 76 5.925 -2.617 5.881 1.00 21.22 N ATOM 1152 CA VAL A 76 6.214 -1.209 6.272 1.00 32.40 C ATOM 1153 C VAL A 76 7.258 -0.581 5.311 1.00 42.42 C ATOM 1154 O VAL A 76 8.346 -1.120 5.141 1.00 21.21 O ATOM 1155 CB VAL A 76 6.748 -1.126 7.754 1.00 3.24 C ATOM 1156 CG1 VAL A 76 7.002 0.341 8.203 1.00 74.25 C ATOM 1157 CG2 VAL A 76 5.789 -1.852 8.732 1.00 40.24 C ATOM 0 H VAL A 76 6.675 -3.266 6.118 1.00 21.22 H new ATOM 0 HA VAL A 76 5.280 -0.651 6.206 1.00 32.40 H new ATOM 0 HB VAL A 76 7.710 -1.638 7.778 1.00 3.24 H new ATOM 0 HG11 VAL A 76 7.369 0.349 9.229 1.00 74.25 H new ATOM 0 HG12 VAL A 76 7.744 0.798 7.549 1.00 74.25 H new ATOM 0 HG13 VAL A 76 6.071 0.905 8.146 1.00 74.25 H new ATOM 0 HG21 VAL A 76 6.181 -1.780 9.747 1.00 40.24 H new ATOM 0 HG22 VAL A 76 4.804 -1.386 8.689 1.00 40.24 H new ATOM 0 HG23 VAL A 76 5.707 -2.901 8.449 1.00 40.24 H new ATOM 1167 N TYR A 77 6.933 0.575 4.715 1.00 71.11 N ATOM 1168 CA TYR A 77 7.825 1.284 3.768 1.00 63.34 C ATOM 1169 C TYR A 77 7.671 2.828 3.866 1.00 30.02 C ATOM 1170 O TYR A 77 6.880 3.336 4.661 1.00 51.42 O ATOM 1171 CB TYR A 77 7.617 0.761 2.315 1.00 44.35 C ATOM 1172 CG TYR A 77 6.181 0.847 1.769 1.00 23.03 C ATOM 1173 CD1 TYR A 77 5.702 2.019 1.181 1.00 14.31 C ATOM 1174 CD2 TYR A 77 5.322 -0.257 1.807 1.00 33.34 C ATOM 1175 CE1 TYR A 77 4.429 2.091 0.655 1.00 13.44 C ATOM 1176 CE2 TYR A 77 4.043 -0.186 1.287 1.00 32.21 C ATOM 1177 CZ TYR A 77 3.604 0.989 0.709 1.00 71.13 C ATOM 1178 OH TYR A 77 2.339 1.062 0.172 1.00 41.33 O ATOM 0 H TYR A 77 6.044 1.051 4.872 1.00 71.11 H new ATOM 0 HA TYR A 77 8.854 1.063 4.052 1.00 63.34 H new ATOM 0 HB2 TYR A 77 8.272 1.323 1.650 1.00 44.35 H new ATOM 0 HB3 TYR A 77 7.939 -0.280 2.275 1.00 44.35 H new ATOM 0 HD1 TYR A 77 6.342 2.888 1.137 1.00 14.31 H new ATOM 0 HD2 TYR A 77 5.664 -1.181 2.250 1.00 33.34 H new ATOM 0 HE1 TYR A 77 4.080 3.008 0.203 1.00 13.44 H new ATOM 0 HE2 TYR A 77 3.390 -1.045 1.333 1.00 32.21 H new ATOM 0 HH TYR A 77 2.191 0.297 -0.422 1.00 41.33 H new ATOM 1188 N THR A 78 8.455 3.544 3.045 1.00 40.12 N ATOM 1189 CA THR A 78 8.635 5.022 3.110 1.00 63.32 C ATOM 1190 C THR A 78 9.089 5.550 1.741 1.00 42.54 C ATOM 1191 O THR A 78 9.870 4.896 1.080 1.00 71.53 O ATOM 1192 CB THR A 78 9.718 5.393 4.207 1.00 43.43 C ATOM 1193 OG1 THR A 78 9.142 5.300 5.516 1.00 2.21 O ATOM 1194 CG2 THR A 78 10.380 6.781 4.020 1.00 22.44 C ATOM 0 H THR A 78 8.998 3.112 2.297 1.00 40.12 H new ATOM 0 HA THR A 78 7.684 5.481 3.380 1.00 63.32 H new ATOM 0 HB THR A 78 10.520 4.665 4.084 1.00 43.43 H new ATOM 0 HG1 THR A 78 8.633 6.115 5.708 1.00 2.21 H new ATOM 0 HG21 THR A 78 11.106 6.948 4.816 1.00 22.44 H new ATOM 0 HG22 THR A 78 10.885 6.816 3.055 1.00 22.44 H new ATOM 0 HG23 THR A 78 9.615 7.557 4.058 1.00 22.44 H new ATOM 1202 N MET A 79 8.605 6.733 1.323 1.00 25.35 N ATOM 1203 CA MET A 79 9.097 7.413 0.099 1.00 23.01 C ATOM 1204 C MET A 79 10.189 8.463 0.480 1.00 2.32 C ATOM 1205 O MET A 79 9.847 9.559 0.931 1.00 22.53 O ATOM 1206 CB MET A 79 7.904 8.062 -0.663 1.00 31.34 C ATOM 1207 CG MET A 79 6.780 7.071 -1.026 1.00 61.14 C ATOM 1208 SD MET A 79 5.459 7.808 -2.021 1.00 12.32 S ATOM 1209 CE MET A 79 4.861 9.124 -0.964 1.00 31.21 C ATOM 0 H MET A 79 7.871 7.244 1.813 1.00 25.35 H new ATOM 0 HA MET A 79 9.557 6.685 -0.569 1.00 23.01 H new ATOM 0 HB2 MET A 79 7.486 8.861 -0.051 1.00 31.34 H new ATOM 0 HB3 MET A 79 8.278 8.523 -1.577 1.00 31.34 H new ATOM 0 HG2 MET A 79 7.210 6.231 -1.572 1.00 61.14 H new ATOM 0 HG3 MET A 79 6.351 6.669 -0.108 1.00 61.14 H new ATOM 0 HE1 MET A 79 3.782 9.031 -0.843 1.00 31.21 H new ATOM 0 HE2 MET A 79 5.343 9.055 0.011 1.00 31.21 H new ATOM 0 HE3 MET A 79 5.094 10.088 -1.416 1.00 31.21 H new ATOM 1219 N PRO A 80 11.529 8.131 0.344 1.00 22.40 N ATOM 1220 CA PRO A 80 12.647 9.061 0.695 1.00 33.52 C ATOM 1221 C PRO A 80 12.810 10.222 -0.324 1.00 51.22 C ATOM 1222 O PRO A 80 13.334 11.294 0.011 1.00 30.14 O ATOM 1223 CB PRO A 80 13.885 8.123 0.694 1.00 50.34 C ATOM 1224 CG PRO A 80 13.545 7.080 -0.327 1.00 21.03 C ATOM 1225 CD PRO A 80 12.064 6.830 -0.146 1.00 3.14 C ATOM 0 HA PRO A 80 12.482 9.570 1.644 1.00 33.52 H new ATOM 0 HB2 PRO A 80 14.794 8.662 0.428 1.00 50.34 H new ATOM 0 HB3 PRO A 80 14.052 7.681 1.676 1.00 50.34 H new ATOM 0 HG2 PRO A 80 13.767 7.427 -1.336 1.00 21.03 H new ATOM 0 HG3 PRO A 80 14.122 6.169 -0.169 1.00 21.03 H new ATOM 0 HD2 PRO A 80 11.593 6.534 -1.083 1.00 3.14 H new ATOM 0 HD3 PRO A 80 11.880 6.029 0.570 1.00 3.14 H new ATOM 1233 N ASP A 81 12.358 9.993 -1.572 1.00 44.11 N ATOM 1234 CA ASP A 81 12.286 11.035 -2.616 1.00 43.21 C ATOM 1235 C ASP A 81 10.867 11.035 -3.252 1.00 5.24 C ATOM 1236 O ASP A 81 10.632 10.405 -4.296 1.00 14.23 O ATOM 1237 CB ASP A 81 13.415 10.827 -3.662 1.00 74.11 C ATOM 1238 CG ASP A 81 13.404 11.862 -4.806 1.00 55.10 C ATOM 1239 OD1 ASP A 81 13.766 13.030 -4.566 1.00 52.02 O ATOM 1240 OD2 ASP A 81 13.013 11.518 -5.948 1.00 65.24 O ATOM 0 H ASP A 81 12.032 9.079 -1.886 1.00 44.11 H new ATOM 0 HA ASP A 81 12.446 12.019 -2.176 1.00 43.21 H new ATOM 0 HB2 ASP A 81 14.379 10.870 -3.155 1.00 74.11 H new ATOM 0 HB3 ASP A 81 13.323 9.828 -4.088 1.00 74.11 H new ATOM 1245 N PRO A 82 9.867 11.673 -2.563 1.00 21.33 N ATOM 1246 CA PRO A 82 8.522 11.877 -3.114 1.00 12.22 C ATOM 1247 C PRO A 82 8.364 13.257 -3.826 1.00 20.32 C ATOM 1248 O PRO A 82 8.777 14.293 -3.285 1.00 14.44 O ATOM 1249 CB PRO A 82 7.641 11.781 -1.850 1.00 44.54 C ATOM 1250 CG PRO A 82 8.491 12.345 -0.735 1.00 34.24 C ATOM 1251 CD PRO A 82 9.947 12.202 -1.172 1.00 54.05 C ATOM 0 HA PRO A 82 8.265 11.158 -3.891 1.00 12.22 H new ATOM 0 HB2 PRO A 82 6.718 12.349 -1.968 1.00 44.54 H new ATOM 0 HB3 PRO A 82 7.356 10.749 -1.645 1.00 44.54 H new ATOM 0 HG2 PRO A 82 8.244 13.391 -0.552 1.00 34.24 H new ATOM 0 HG3 PRO A 82 8.313 11.807 0.196 1.00 34.24 H new ATOM 0 HD2 PRO A 82 10.467 13.159 -1.140 1.00 54.05 H new ATOM 0 HD3 PRO A 82 10.493 11.521 -0.519 1.00 54.05 H new ATOM 1259 N PRO A 83 7.763 13.300 -5.062 1.00 34.44 N ATOM 1260 CA PRO A 83 7.388 14.585 -5.719 1.00 53.25 C ATOM 1261 C PRO A 83 6.159 15.259 -5.031 1.00 71.42 C ATOM 1262 O PRO A 83 5.718 16.336 -5.434 1.00 34.22 O ATOM 1263 CB PRO A 83 7.087 14.148 -7.170 1.00 13.42 C ATOM 1264 CG PRO A 83 6.602 12.735 -7.037 1.00 42.44 C ATOM 1265 CD PRO A 83 7.434 12.130 -5.926 1.00 41.04 C ATOM 0 HA PRO A 83 8.167 15.345 -5.657 1.00 53.25 H new ATOM 0 HB2 PRO A 83 6.332 14.786 -7.629 1.00 13.42 H new ATOM 0 HB3 PRO A 83 7.977 14.206 -7.796 1.00 13.42 H new ATOM 0 HG2 PRO A 83 5.540 12.705 -6.794 1.00 42.44 H new ATOM 0 HG3 PRO A 83 6.731 12.185 -7.969 1.00 42.44 H new ATOM 0 HD2 PRO A 83 6.879 11.369 -5.377 1.00 41.04 H new ATOM 0 HD3 PRO A 83 8.333 11.651 -6.313 1.00 41.04 H new ATOM 1273 N PHE A 84 5.615 14.573 -4.006 1.00 31.15 N ATOM 1274 CA PHE A 84 4.589 15.111 -3.093 1.00 4.11 C ATOM 1275 C PHE A 84 5.261 15.996 -2.002 1.00 32.42 C ATOM 1276 O PHE A 84 6.349 15.643 -1.518 1.00 43.33 O ATOM 1277 CB PHE A 84 3.827 13.937 -2.416 1.00 52.40 C ATOM 1278 CG PHE A 84 3.204 12.944 -3.400 1.00 30.54 C ATOM 1279 CD1 PHE A 84 3.924 11.831 -3.850 1.00 23.24 C ATOM 1280 CD2 PHE A 84 1.903 13.118 -3.874 1.00 41.32 C ATOM 1281 CE1 PHE A 84 3.367 10.934 -4.744 1.00 71.43 C ATOM 1282 CE2 PHE A 84 1.346 12.219 -4.768 1.00 22.23 C ATOM 1283 CZ PHE A 84 2.075 11.127 -5.200 1.00 64.03 C ATOM 0 H PHE A 84 5.881 13.613 -3.786 1.00 31.15 H new ATOM 0 HA PHE A 84 3.887 15.719 -3.663 1.00 4.11 H new ATOM 0 HB2 PHE A 84 4.515 13.401 -1.763 1.00 52.40 H new ATOM 0 HB3 PHE A 84 3.040 14.346 -1.783 1.00 52.40 H new ATOM 0 HD1 PHE A 84 4.931 11.670 -3.493 1.00 23.24 H new ATOM 0 HD2 PHE A 84 1.323 13.965 -3.539 1.00 41.32 H new ATOM 0 HE1 PHE A 84 3.940 10.084 -5.085 1.00 71.43 H new ATOM 0 HE2 PHE A 84 0.339 12.371 -5.129 1.00 22.23 H new ATOM 0 HZ PHE A 84 1.636 10.425 -5.893 1.00 64.03 H new ATOM 1293 N PRO A 85 4.639 17.155 -1.603 1.00 61.10 N ATOM 1294 CA PRO A 85 5.186 18.026 -0.527 1.00 44.32 C ATOM 1295 C PRO A 85 4.989 17.426 0.897 1.00 62.11 C ATOM 1296 O PRO A 85 4.081 17.805 1.641 1.00 71.25 O ATOM 1297 CB PRO A 85 4.422 19.361 -0.734 1.00 60.12 C ATOM 1298 CG PRO A 85 3.114 18.960 -1.352 1.00 32.23 C ATOM 1299 CD PRO A 85 3.385 17.716 -2.181 1.00 73.24 C ATOM 0 HA PRO A 85 6.267 18.147 -0.590 1.00 44.32 H new ATOM 0 HB2 PRO A 85 4.270 19.881 0.212 1.00 60.12 H new ATOM 0 HB3 PRO A 85 4.976 20.038 -1.384 1.00 60.12 H new ATOM 0 HG2 PRO A 85 2.369 18.758 -0.583 1.00 32.23 H new ATOM 0 HG3 PRO A 85 2.719 19.762 -1.976 1.00 32.23 H new ATOM 0 HD2 PRO A 85 2.562 17.005 -2.112 1.00 73.24 H new ATOM 0 HD3 PRO A 85 3.508 17.960 -3.236 1.00 73.24 H new ATOM 1307 N ILE A 86 5.850 16.443 1.239 1.00 70.34 N ATOM 1308 CA ILE A 86 5.865 15.752 2.556 1.00 41.31 C ATOM 1309 C ILE A 86 7.325 15.535 3.037 1.00 4.32 C ATOM 1310 O ILE A 86 8.223 15.274 2.224 1.00 25.34 O ATOM 1311 CB ILE A 86 5.086 14.375 2.503 1.00 45.11 C ATOM 1312 CG1 ILE A 86 5.574 13.503 1.297 1.00 5.23 C ATOM 1313 CG2 ILE A 86 3.558 14.602 2.456 1.00 51.04 C ATOM 1314 CD1 ILE A 86 4.788 12.223 1.061 1.00 72.31 C ATOM 0 H ILE A 86 6.567 16.099 0.601 1.00 70.34 H new ATOM 0 HA ILE A 86 5.350 16.393 3.272 1.00 41.31 H new ATOM 0 HB ILE A 86 5.307 13.826 3.418 1.00 45.11 H new ATOM 0 HG12 ILE A 86 5.531 14.108 0.392 1.00 5.23 H new ATOM 0 HG13 ILE A 86 6.620 13.243 1.458 1.00 5.23 H new ATOM 0 HG21 ILE A 86 3.048 13.639 2.420 1.00 51.04 H new ATOM 0 HG22 ILE A 86 3.243 15.146 3.346 1.00 51.04 H new ATOM 0 HG23 ILE A 86 3.303 15.181 1.568 1.00 51.04 H new ATOM 0 HD11 ILE A 86 5.205 11.693 0.205 1.00 72.31 H new ATOM 0 HD12 ILE A 86 4.850 11.589 1.946 1.00 72.31 H new ATOM 0 HD13 ILE A 86 3.745 12.468 0.863 1.00 72.31 H new ATOM 1326 N THR A 87 7.544 15.646 4.363 1.00 72.15 N ATOM 1327 CA THR A 87 8.904 15.664 4.966 1.00 75.25 C ATOM 1328 C THR A 87 9.608 14.281 4.937 1.00 54.45 C ATOM 1329 O THR A 87 10.779 14.184 4.556 1.00 42.44 O ATOM 1330 CB THR A 87 8.846 16.180 6.446 1.00 10.23 C ATOM 1331 OG1 THR A 87 8.147 17.436 6.501 1.00 42.20 O ATOM 1332 CG2 THR A 87 10.245 16.363 7.062 1.00 1.20 C ATOM 0 H THR A 87 6.792 15.726 5.047 1.00 72.15 H new ATOM 0 HA THR A 87 9.493 16.344 4.351 1.00 75.25 H new ATOM 0 HB THR A 87 8.320 15.421 7.025 1.00 10.23 H new ATOM 0 HG1 THR A 87 7.188 17.272 6.617 1.00 42.20 H new ATOM 0 HG21 THR A 87 10.147 16.722 8.087 1.00 1.20 H new ATOM 0 HG22 THR A 87 10.771 15.408 7.060 1.00 1.20 H new ATOM 0 HG23 THR A 87 10.809 17.089 6.476 1.00 1.20 H new ATOM 1340 N ASN A 88 8.891 13.223 5.349 1.00 13.02 N ATOM 1341 CA ASN A 88 9.487 11.870 5.543 1.00 11.41 C ATOM 1342 C ASN A 88 8.641 10.753 4.874 1.00 12.02 C ATOM 1343 O ASN A 88 9.178 9.924 4.132 1.00 42.32 O ATOM 1344 CB ASN A 88 9.675 11.592 7.072 1.00 33.42 C ATOM 1345 CG ASN A 88 8.370 11.643 7.900 1.00 32.25 C ATOM 1346 OD1 ASN A 88 7.423 12.362 7.573 1.00 43.31 O ATOM 1347 ND2 ASN A 88 8.316 10.893 8.985 1.00 52.34 N ATOM 0 H ASN A 88 7.894 13.268 5.558 1.00 13.02 H new ATOM 0 HA ASN A 88 10.460 11.858 5.052 1.00 11.41 H new ATOM 0 HB2 ASN A 88 10.131 10.610 7.196 1.00 33.42 H new ATOM 0 HB3 ASN A 88 10.376 12.322 7.477 1.00 33.42 H new ATOM 0 HD21 ASN A 88 7.480 10.902 9.570 1.00 52.34 H new ATOM 0 HD22 ASN A 88 9.110 10.305 9.239 1.00 52.34 H new ATOM 1354 N HIS A 89 7.321 10.771 5.156 1.00 63.43 N ATOM 1355 CA HIS A 89 6.339 9.733 4.748 1.00 51.23 C ATOM 1356 C HIS A 89 6.586 8.338 5.410 1.00 55.41 C ATOM 1357 O HIS A 89 7.716 7.931 5.670 1.00 75.04 O ATOM 1358 CB HIS A 89 6.254 9.592 3.203 1.00 3.40 C ATOM 1359 CG HIS A 89 5.201 8.608 2.744 1.00 12.54 C ATOM 1360 ND1 HIS A 89 5.540 7.392 2.207 1.00 45.40 N ATOM 1361 CD2 HIS A 89 3.847 8.692 2.825 1.00 15.22 C ATOM 1362 CE1 HIS A 89 4.402 6.765 1.980 1.00 51.42 C ATOM 1363 NE2 HIS A 89 3.348 7.512 2.340 1.00 71.20 N ATOM 0 H HIS A 89 6.893 11.528 5.689 1.00 63.43 H new ATOM 0 HA HIS A 89 5.379 10.090 5.121 1.00 51.23 H new ATOM 0 HB2 HIS A 89 6.041 10.569 2.768 1.00 3.40 H new ATOM 0 HB3 HIS A 89 7.225 9.277 2.821 1.00 3.40 H new ATOM 0 HD2 HIS A 89 3.275 9.528 3.200 1.00 15.22 H new ATOM 0 HE1 HIS A 89 4.328 5.774 1.557 1.00 51.42 H new ATOM 0 HE2 HIS A 89 2.364 7.252 2.267 1.00 71.20 H new ATOM 1371 N ARG A 90 5.477 7.638 5.701 1.00 15.22 N ATOM 1372 CA ARG A 90 5.459 6.212 6.090 1.00 10.30 C ATOM 1373 C ARG A 90 4.148 5.573 5.548 1.00 72.04 C ATOM 1374 O ARG A 90 3.133 6.265 5.429 1.00 32.13 O ATOM 1375 CB ARG A 90 5.534 6.069 7.642 1.00 43.21 C ATOM 1376 CG ARG A 90 5.860 4.639 8.145 1.00 74.13 C ATOM 1377 CD ARG A 90 7.361 4.285 8.034 1.00 34.14 C ATOM 1378 NE ARG A 90 8.176 5.059 8.998 1.00 2.23 N ATOM 1379 CZ ARG A 90 9.490 5.183 8.990 1.00 24.10 C ATOM 1380 NH1 ARG A 90 10.212 4.720 8.020 1.00 20.23 N ATOM 1381 NH2 ARG A 90 10.069 5.823 9.952 1.00 63.24 N ATOM 0 H ARG A 90 4.546 8.054 5.673 1.00 15.22 H new ATOM 0 HA ARG A 90 6.324 5.701 5.667 1.00 10.30 H new ATOM 0 HB2 ARG A 90 6.292 6.754 8.020 1.00 43.21 H new ATOM 0 HB3 ARG A 90 4.581 6.381 8.069 1.00 43.21 H new ATOM 0 HG2 ARG A 90 5.547 4.546 9.185 1.00 74.13 H new ATOM 0 HG3 ARG A 90 5.279 3.917 7.571 1.00 74.13 H new ATOM 0 HD2 ARG A 90 7.498 3.219 8.214 1.00 34.14 H new ATOM 0 HD3 ARG A 90 7.709 4.484 7.020 1.00 34.14 H new ATOM 0 HE ARG A 90 7.673 5.544 9.741 1.00 2.23 H new ATOM 0 HH11 ARG A 90 9.767 4.245 7.235 1.00 20.23 H new ATOM 0 HH12 ARG A 90 11.226 4.831 8.041 1.00 20.23 H new ATOM 0 HH21 ARG A 90 9.511 6.225 10.705 1.00 63.24 H new ATOM 0 HH22 ARG A 90 11.084 5.926 9.958 1.00 63.24 H new ATOM 1395 N ALA A 91 4.174 4.270 5.207 1.00 74.10 N ATOM 1396 CA ALA A 91 2.975 3.537 4.717 1.00 3.53 C ATOM 1397 C ALA A 91 3.102 2.014 4.946 1.00 24.12 C ATOM 1398 O ALA A 91 4.192 1.463 4.873 1.00 62.43 O ATOM 1399 CB ALA A 91 2.712 3.841 3.231 1.00 21.14 C ATOM 0 H ALA A 91 5.014 3.695 5.260 1.00 74.10 H new ATOM 0 HA ALA A 91 2.122 3.889 5.297 1.00 3.53 H new ATOM 0 HB1 ALA A 91 1.831 3.293 2.898 1.00 21.14 H new ATOM 0 HB2 ALA A 91 2.544 4.910 3.102 1.00 21.14 H new ATOM 0 HB3 ALA A 91 3.575 3.535 2.639 1.00 21.14 H new ATOM 1405 N VAL A 92 1.963 1.345 5.219 1.00 74.03 N ATOM 1406 CA VAL A 92 1.930 -0.094 5.569 1.00 61.34 C ATOM 1407 C VAL A 92 0.775 -0.870 4.862 1.00 20.34 C ATOM 1408 O VAL A 92 -0.335 -0.356 4.714 1.00 73.23 O ATOM 1409 CB VAL A 92 1.843 -0.276 7.140 1.00 73.21 C ATOM 1410 CG1 VAL A 92 0.607 0.445 7.745 1.00 63.35 C ATOM 1411 CG2 VAL A 92 1.878 -1.773 7.557 1.00 64.21 C ATOM 0 H VAL A 92 1.042 1.783 5.204 1.00 74.03 H new ATOM 0 HA VAL A 92 2.861 -0.527 5.204 1.00 61.34 H new ATOM 0 HB VAL A 92 2.732 0.200 7.554 1.00 73.21 H new ATOM 0 HG11 VAL A 92 0.589 0.293 8.824 1.00 63.35 H new ATOM 0 HG12 VAL A 92 0.667 1.512 7.530 1.00 63.35 H new ATOM 0 HG13 VAL A 92 -0.303 0.037 7.306 1.00 63.35 H new ATOM 0 HG21 VAL A 92 1.816 -1.850 8.643 1.00 64.21 H new ATOM 0 HG22 VAL A 92 1.034 -2.296 7.107 1.00 64.21 H new ATOM 0 HG23 VAL A 92 2.809 -2.225 7.214 1.00 64.21 H new ATOM 1421 N LEU A 93 1.085 -2.113 4.417 1.00 24.42 N ATOM 1422 CA LEU A 93 0.090 -3.120 3.978 1.00 52.24 C ATOM 1423 C LEU A 93 0.003 -4.226 5.046 1.00 31.54 C ATOM 1424 O LEU A 93 0.918 -5.038 5.173 1.00 52.22 O ATOM 1425 CB LEU A 93 0.477 -3.774 2.605 1.00 31.24 C ATOM 1426 CG LEU A 93 -0.015 -3.062 1.316 1.00 44.13 C ATOM 1427 CD1 LEU A 93 -1.548 -2.965 1.280 1.00 44.11 C ATOM 1428 CD2 LEU A 93 0.639 -1.691 1.142 1.00 3.33 C ATOM 0 H LEU A 93 2.046 -2.447 4.353 1.00 24.42 H new ATOM 0 HA LEU A 93 -0.867 -2.614 3.850 1.00 52.24 H new ATOM 0 HB2 LEU A 93 1.564 -3.844 2.558 1.00 31.24 H new ATOM 0 HB3 LEU A 93 0.091 -4.794 2.596 1.00 31.24 H new ATOM 0 HG LEU A 93 0.294 -3.675 0.469 1.00 44.13 H new ATOM 0 HD11 LEU A 93 -1.859 -2.461 0.365 1.00 44.11 H new ATOM 0 HD12 LEU A 93 -1.977 -3.967 1.307 1.00 44.11 H new ATOM 0 HD13 LEU A 93 -1.897 -2.398 2.143 1.00 44.11 H new ATOM 0 HD21 LEU A 93 0.269 -1.225 0.229 1.00 3.33 H new ATOM 0 HD22 LEU A 93 0.394 -1.060 1.997 1.00 3.33 H new ATOM 0 HD23 LEU A 93 1.721 -1.810 1.076 1.00 3.33 H new ATOM 1440 N GLU A 94 -1.099 -4.270 5.788 1.00 74.04 N ATOM 1441 CA GLU A 94 -1.337 -5.334 6.787 1.00 65.21 C ATOM 1442 C GLU A 94 -2.632 -6.076 6.431 1.00 2.13 C ATOM 1443 O GLU A 94 -3.731 -5.517 6.513 1.00 50.31 O ATOM 1444 CB GLU A 94 -1.389 -4.743 8.226 1.00 30.35 C ATOM 1445 CG GLU A 94 -1.621 -5.789 9.346 1.00 35.43 C ATOM 1446 CD GLU A 94 -1.495 -5.220 10.780 1.00 70.31 C ATOM 1447 OE1 GLU A 94 -2.352 -4.408 11.195 1.00 72.41 O ATOM 1448 OE2 GLU A 94 -0.536 -5.578 11.500 1.00 42.11 O ATOM 0 H GLU A 94 -1.851 -3.583 5.724 1.00 74.04 H new ATOM 0 HA GLU A 94 -0.510 -6.044 6.767 1.00 65.21 H new ATOM 0 HB2 GLU A 94 -0.453 -4.220 8.424 1.00 30.35 H new ATOM 0 HB3 GLU A 94 -2.185 -4.000 8.271 1.00 30.35 H new ATOM 0 HG2 GLU A 94 -2.614 -6.221 9.224 1.00 35.43 H new ATOM 0 HG3 GLU A 94 -0.903 -6.600 9.225 1.00 35.43 H new ATOM 1455 N VAL A 95 -2.489 -7.349 6.019 1.00 3.22 N ATOM 1456 CA VAL A 95 -3.637 -8.183 5.642 1.00 31.03 C ATOM 1457 C VAL A 95 -4.138 -8.931 6.895 1.00 22.13 C ATOM 1458 O VAL A 95 -3.456 -9.808 7.432 1.00 14.03 O ATOM 1459 CB VAL A 95 -3.273 -9.195 4.488 1.00 62.44 C ATOM 1460 CG1 VAL A 95 -4.519 -10.000 4.023 1.00 52.11 C ATOM 1461 CG2 VAL A 95 -2.606 -8.464 3.296 1.00 73.32 C ATOM 0 H VAL A 95 -1.588 -7.820 5.940 1.00 3.22 H new ATOM 0 HA VAL A 95 -4.428 -7.541 5.254 1.00 31.03 H new ATOM 0 HB VAL A 95 -2.553 -9.907 4.891 1.00 62.44 H new ATOM 0 HG11 VAL A 95 -4.232 -10.687 3.227 1.00 52.11 H new ATOM 0 HG12 VAL A 95 -4.921 -10.566 4.864 1.00 52.11 H new ATOM 0 HG13 VAL A 95 -5.279 -9.312 3.652 1.00 52.11 H new ATOM 0 HG21 VAL A 95 -2.366 -9.186 2.515 1.00 73.32 H new ATOM 0 HG22 VAL A 95 -3.291 -7.715 2.899 1.00 73.32 H new ATOM 0 HG23 VAL A 95 -1.691 -7.977 3.634 1.00 73.32 H new ATOM 1471 N VAL A 96 -5.323 -8.542 7.357 1.00 23.23 N ATOM 1472 CA VAL A 96 -5.955 -9.084 8.570 1.00 51.11 C ATOM 1473 C VAL A 96 -6.883 -10.277 8.197 1.00 62.22 C ATOM 1474 O VAL A 96 -7.781 -10.115 7.355 1.00 11.32 O ATOM 1475 CB VAL A 96 -6.784 -7.960 9.311 1.00 3.33 C ATOM 1476 CG1 VAL A 96 -7.346 -8.459 10.667 1.00 63.31 C ATOM 1477 CG2 VAL A 96 -5.941 -6.664 9.498 1.00 64.22 C ATOM 0 H VAL A 96 -5.886 -7.828 6.895 1.00 23.23 H new ATOM 0 HA VAL A 96 -5.174 -9.438 9.243 1.00 51.11 H new ATOM 0 HB VAL A 96 -7.635 -7.717 8.674 1.00 3.33 H new ATOM 0 HG11 VAL A 96 -7.909 -7.657 11.145 1.00 63.31 H new ATOM 0 HG12 VAL A 96 -8.003 -9.312 10.497 1.00 63.31 H new ATOM 0 HG13 VAL A 96 -6.522 -8.759 11.314 1.00 63.31 H new ATOM 0 HG21 VAL A 96 -6.540 -5.911 10.010 1.00 64.22 H new ATOM 0 HG22 VAL A 96 -5.055 -6.889 10.092 1.00 64.22 H new ATOM 0 HG23 VAL A 96 -5.637 -6.284 8.523 1.00 64.22 H new ATOM 1487 N PRO A 97 -6.677 -11.497 8.798 1.00 5.25 N ATOM 1488 CA PRO A 97 -7.551 -12.675 8.536 1.00 64.12 C ATOM 1489 C PRO A 97 -8.985 -12.471 9.097 1.00 71.30 C ATOM 1490 O PRO A 97 -9.156 -11.969 10.214 1.00 24.11 O ATOM 1491 CB PRO A 97 -6.808 -13.832 9.255 1.00 4.24 C ATOM 1492 CG PRO A 97 -6.033 -13.157 10.347 1.00 74.44 C ATOM 1493 CD PRO A 97 -5.597 -11.827 9.767 1.00 1.33 C ATOM 0 HA PRO A 97 -7.702 -12.862 7.473 1.00 64.12 H new ATOM 0 HB2 PRO A 97 -7.508 -14.563 9.659 1.00 4.24 H new ATOM 0 HB3 PRO A 97 -6.148 -14.366 8.571 1.00 4.24 H new ATOM 0 HG2 PRO A 97 -6.648 -13.015 11.236 1.00 74.44 H new ATOM 0 HG3 PRO A 97 -5.173 -13.756 10.647 1.00 74.44 H new ATOM 0 HD2 PRO A 97 -5.505 -11.064 10.540 1.00 1.33 H new ATOM 0 HD3 PRO A 97 -4.627 -11.902 9.276 1.00 1.33 H new ATOM 1501 N ARG A 98 -10.005 -12.860 8.316 1.00 53.43 N ATOM 1502 CA ARG A 98 -11.430 -12.589 8.644 1.00 62.04 C ATOM 1503 C ARG A 98 -12.325 -13.824 8.347 1.00 50.34 C ATOM 1504 O ARG A 98 -13.301 -14.084 9.065 1.00 10.24 O ATOM 1505 CB ARG A 98 -11.887 -11.308 7.856 1.00 2.31 C ATOM 1506 CG ARG A 98 -13.369 -10.853 8.054 1.00 55.21 C ATOM 1507 CD ARG A 98 -14.349 -11.451 7.013 1.00 34.12 C ATOM 1508 NE ARG A 98 -15.761 -11.192 7.354 1.00 11.20 N ATOM 1509 CZ ARG A 98 -16.629 -12.099 7.754 1.00 4.23 C ATOM 1510 NH1 ARG A 98 -16.283 -13.343 7.912 1.00 64.25 N ATOM 1511 NH2 ARG A 98 -17.840 -11.746 8.008 1.00 10.03 N ATOM 0 H ARG A 98 -9.876 -13.369 7.442 1.00 53.43 H new ATOM 0 HA ARG A 98 -11.537 -12.399 9.712 1.00 62.04 H new ATOM 0 HB2 ARG A 98 -11.236 -10.482 8.143 1.00 2.31 H new ATOM 0 HB3 ARG A 98 -11.725 -11.487 6.793 1.00 2.31 H new ATOM 0 HG2 ARG A 98 -13.697 -11.138 9.054 1.00 55.21 H new ATOM 0 HG3 ARG A 98 -13.416 -9.765 8.001 1.00 55.21 H new ATOM 0 HD2 ARG A 98 -14.132 -11.030 6.031 1.00 34.12 H new ATOM 0 HD3 ARG A 98 -14.187 -12.527 6.942 1.00 34.12 H new ATOM 0 HE ARG A 98 -16.093 -10.231 7.273 1.00 11.20 H new ATOM 0 HH11 ARG A 98 -15.323 -13.633 7.725 1.00 64.25 H new ATOM 0 HH12 ARG A 98 -16.972 -14.028 8.223 1.00 64.25 H new ATOM 0 HH21 ARG A 98 -18.121 -10.771 7.899 1.00 10.03 H new ATOM 0 HH22 ARG A 98 -18.519 -12.441 8.318 1.00 10.03 H new ATOM 1525 N ASP A 99 -11.977 -14.572 7.293 1.00 40.01 N ATOM 1526 CA ASP A 99 -12.756 -15.734 6.803 1.00 53.11 C ATOM 1527 C ASP A 99 -11.881 -16.599 5.856 1.00 13.22 C ATOM 1528 O ASP A 99 -10.890 -16.111 5.292 1.00 14.04 O ATOM 1529 CB ASP A 99 -14.043 -15.227 6.092 1.00 25.51 C ATOM 1530 CG ASP A 99 -14.905 -16.328 5.465 1.00 25.05 C ATOM 1531 OD1 ASP A 99 -15.642 -17.012 6.204 1.00 43.15 O ATOM 1532 OD2 ASP A 99 -14.844 -16.514 4.224 1.00 10.40 O ATOM 0 H ASP A 99 -11.137 -14.391 6.744 1.00 40.01 H new ATOM 0 HA ASP A 99 -13.054 -16.363 7.642 1.00 53.11 H new ATOM 0 HB2 ASP A 99 -14.648 -14.678 6.814 1.00 25.51 H new ATOM 0 HB3 ASP A 99 -13.757 -14.521 5.313 1.00 25.51 H new ATOM 1537 N ASP A 100 -12.282 -17.872 5.681 1.00 11.21 N ATOM 1538 CA ASP A 100 -11.565 -18.885 4.861 1.00 61.23 C ATOM 1539 C ASP A 100 -11.305 -18.416 3.405 1.00 51.41 C ATOM 1540 O ASP A 100 -10.304 -18.800 2.786 1.00 11.54 O ATOM 1541 CB ASP A 100 -12.387 -20.199 4.847 1.00 42.40 C ATOM 1542 CG ASP A 100 -12.645 -20.750 6.263 1.00 62.01 C ATOM 1543 OD1 ASP A 100 -11.815 -21.537 6.776 1.00 73.23 O ATOM 1544 OD2 ASP A 100 -13.667 -20.377 6.882 1.00 33.35 O ATOM 0 H ASP A 100 -13.130 -18.240 6.112 1.00 11.21 H new ATOM 0 HA ASP A 100 -10.588 -19.042 5.319 1.00 61.23 H new ATOM 0 HB2 ASP A 100 -13.341 -20.021 4.351 1.00 42.40 H new ATOM 0 HB3 ASP A 100 -11.857 -20.949 4.260 1.00 42.40 H new ATOM 1549 N ARG A 101 -12.217 -17.585 2.877 1.00 35.41 N ATOM 1550 CA ARG A 101 -12.127 -17.056 1.503 1.00 11.43 C ATOM 1551 C ARG A 101 -12.562 -15.562 1.468 1.00 22.31 C ATOM 1552 O ARG A 101 -13.019 -15.057 0.445 1.00 63.42 O ATOM 1553 CB ARG A 101 -13.000 -17.949 0.570 1.00 72.20 C ATOM 1554 CG ARG A 101 -12.690 -17.819 -0.940 1.00 75.13 C ATOM 1555 CD ARG A 101 -13.533 -18.780 -1.805 1.00 21.12 C ATOM 1556 NE ARG A 101 -13.290 -20.191 -1.448 1.00 4.01 N ATOM 1557 CZ ARG A 101 -13.793 -21.240 -2.058 1.00 71.35 C ATOM 1558 NH1 ARG A 101 -14.621 -21.120 -3.046 1.00 20.45 N ATOM 1559 NH2 ARG A 101 -13.465 -22.419 -1.651 1.00 22.42 N ATOM 0 H ARG A 101 -13.038 -17.260 3.388 1.00 35.41 H new ATOM 0 HA ARG A 101 -11.097 -17.088 1.148 1.00 11.43 H new ATOM 0 HB2 ARG A 101 -12.870 -18.991 0.864 1.00 72.20 H new ATOM 0 HB3 ARG A 101 -14.049 -17.701 0.733 1.00 72.20 H new ATOM 0 HG2 ARG A 101 -12.875 -16.793 -1.258 1.00 75.13 H new ATOM 0 HG3 ARG A 101 -11.632 -18.019 -1.108 1.00 75.13 H new ATOM 0 HD2 ARG A 101 -14.591 -18.550 -1.679 1.00 21.12 H new ATOM 0 HD3 ARG A 101 -13.296 -18.625 -2.858 1.00 21.12 H new ATOM 0 HE ARG A 101 -12.675 -20.368 -0.654 1.00 4.01 H new ATOM 0 HH11 ARG A 101 -14.898 -20.193 -3.369 1.00 20.45 H new ATOM 0 HH12 ARG A 101 -14.996 -21.952 -3.501 1.00 20.45 H new ATOM 0 HH21 ARG A 101 -12.823 -22.527 -0.866 1.00 22.42 H new ATOM 0 HH22 ARG A 101 -13.847 -23.243 -2.115 1.00 22.42 H new ATOM 1573 N HIS A 102 -12.401 -14.858 2.608 1.00 22.40 N ATOM 1574 CA HIS A 102 -12.641 -13.394 2.724 1.00 31.32 C ATOM 1575 C HIS A 102 -11.670 -12.797 3.773 1.00 73.41 C ATOM 1576 O HIS A 102 -11.803 -13.066 4.961 1.00 54.01 O ATOM 1577 CB HIS A 102 -14.118 -13.073 3.112 1.00 60.32 C ATOM 1578 CG HIS A 102 -15.149 -13.447 2.080 1.00 24.43 C ATOM 1579 ND1 HIS A 102 -15.937 -14.575 2.174 1.00 22.11 N ATOM 1580 CD2 HIS A 102 -15.509 -12.842 0.920 1.00 32.03 C ATOM 1581 CE1 HIS A 102 -16.726 -14.652 1.124 1.00 23.14 C ATOM 1582 NE2 HIS A 102 -16.490 -13.617 0.347 1.00 72.20 N ATOM 0 H HIS A 102 -12.099 -15.287 3.483 1.00 22.40 H new ATOM 0 HA HIS A 102 -12.459 -12.942 1.749 1.00 31.32 H new ATOM 0 HB2 HIS A 102 -14.353 -13.591 4.042 1.00 60.32 H new ATOM 0 HB3 HIS A 102 -14.200 -12.005 3.313 1.00 60.32 H new ATOM 0 HD1 HIS A 102 -15.912 -15.247 2.941 1.00 22.11 H new ATOM 0 HD2 HIS A 102 -15.102 -11.924 0.522 1.00 32.03 H new ATOM 0 HE1 HIS A 102 -17.446 -15.434 0.932 1.00 23.14 H new ATOM 1591 N CYS A 103 -10.701 -11.982 3.330 1.00 25.43 N ATOM 1592 CA CYS A 103 -9.660 -11.393 4.218 1.00 62.22 C ATOM 1593 C CYS A 103 -9.486 -9.889 3.935 1.00 52.24 C ATOM 1594 O CYS A 103 -9.447 -9.464 2.776 1.00 33.22 O ATOM 1595 CB CYS A 103 -8.327 -12.152 4.056 1.00 42.13 C ATOM 1596 SG CYS A 103 -8.432 -13.892 4.554 1.00 33.34 S ATOM 0 H CYS A 103 -10.608 -11.707 2.352 1.00 25.43 H new ATOM 0 HA CYS A 103 -9.986 -11.497 5.253 1.00 62.22 H new ATOM 0 HB2 CYS A 103 -8.009 -12.097 3.015 1.00 42.13 H new ATOM 0 HB3 CYS A 103 -7.559 -11.656 4.650 1.00 42.13 H new ATOM 0 HG CYS A 103 -9.656 -14.175 4.887 1.00 33.34 H new ATOM 1602 N THR A 104 -9.373 -9.091 5.010 1.00 52.43 N ATOM 1603 CA THR A 104 -9.405 -7.615 4.927 1.00 63.13 C ATOM 1604 C THR A 104 -7.988 -7.003 4.846 1.00 41.43 C ATOM 1605 O THR A 104 -7.225 -7.084 5.801 1.00 61.35 O ATOM 1606 CB THR A 104 -10.179 -7.002 6.146 1.00 50.52 C ATOM 1607 OG1 THR A 104 -11.514 -7.546 6.204 1.00 71.20 O ATOM 1608 CG2 THR A 104 -10.257 -5.461 6.073 1.00 25.42 C ATOM 0 H THR A 104 -9.257 -9.446 5.959 1.00 52.43 H new ATOM 0 HA THR A 104 -9.930 -7.365 4.005 1.00 63.13 H new ATOM 0 HB THR A 104 -9.625 -7.266 7.047 1.00 50.52 H new ATOM 0 HG1 THR A 104 -11.991 -7.161 6.968 1.00 71.20 H new ATOM 0 HG21 THR A 104 -10.802 -5.083 6.938 1.00 25.42 H new ATOM 0 HG22 THR A 104 -9.249 -5.045 6.069 1.00 25.42 H new ATOM 0 HG23 THR A 104 -10.775 -5.166 5.161 1.00 25.42 H new ATOM 1616 N VAL A 105 -7.654 -6.374 3.705 1.00 0.42 N ATOM 1617 CA VAL A 105 -6.362 -5.670 3.525 1.00 71.11 C ATOM 1618 C VAL A 105 -6.497 -4.208 3.990 1.00 5.01 C ATOM 1619 O VAL A 105 -7.343 -3.468 3.482 1.00 23.11 O ATOM 1620 CB VAL A 105 -5.884 -5.689 2.027 1.00 41.42 C ATOM 1621 CG1 VAL A 105 -4.475 -5.051 1.869 1.00 50.35 C ATOM 1622 CG2 VAL A 105 -5.910 -7.119 1.464 1.00 71.12 C ATOM 0 H VAL A 105 -8.262 -6.336 2.887 1.00 0.42 H new ATOM 0 HA VAL A 105 -5.619 -6.194 4.125 1.00 71.11 H new ATOM 0 HB VAL A 105 -6.582 -5.083 1.449 1.00 41.42 H new ATOM 0 HG11 VAL A 105 -4.177 -5.082 0.821 1.00 50.35 H new ATOM 0 HG12 VAL A 105 -4.504 -4.015 2.208 1.00 50.35 H new ATOM 0 HG13 VAL A 105 -3.754 -5.608 2.467 1.00 50.35 H new ATOM 0 HG21 VAL A 105 -5.575 -7.108 0.427 1.00 71.12 H new ATOM 0 HG22 VAL A 105 -5.247 -7.754 2.052 1.00 71.12 H new ATOM 0 HG23 VAL A 105 -6.926 -7.511 1.513 1.00 71.12 H new ATOM 1632 N VAL A 106 -5.658 -3.803 4.953 1.00 42.34 N ATOM 1633 CA VAL A 106 -5.667 -2.437 5.506 1.00 3.13 C ATOM 1634 C VAL A 106 -4.407 -1.688 5.026 1.00 3.14 C ATOM 1635 O VAL A 106 -3.279 -2.070 5.365 1.00 1.43 O ATOM 1636 CB VAL A 106 -5.727 -2.452 7.079 1.00 61.51 C ATOM 1637 CG1 VAL A 106 -5.838 -1.014 7.661 1.00 71.32 C ATOM 1638 CG2 VAL A 106 -6.887 -3.353 7.582 1.00 10.25 C ATOM 0 H VAL A 106 -4.954 -4.410 5.372 1.00 42.34 H new ATOM 0 HA VAL A 106 -6.560 -1.924 5.150 1.00 3.13 H new ATOM 0 HB VAL A 106 -4.790 -2.877 7.440 1.00 61.51 H new ATOM 0 HG11 VAL A 106 -5.877 -1.064 8.749 1.00 71.32 H new ATOM 0 HG12 VAL A 106 -4.970 -0.430 7.355 1.00 71.32 H new ATOM 0 HG13 VAL A 106 -6.745 -0.539 7.287 1.00 71.32 H new ATOM 0 HG21 VAL A 106 -6.907 -3.346 8.672 1.00 10.25 H new ATOM 0 HG22 VAL A 106 -7.835 -2.974 7.200 1.00 10.25 H new ATOM 0 HG23 VAL A 106 -6.735 -4.373 7.228 1.00 10.25 H new ATOM 1648 N TRP A 107 -4.611 -0.631 4.226 1.00 71.20 N ATOM 1649 CA TRP A 107 -3.525 0.206 3.688 1.00 40.34 C ATOM 1650 C TRP A 107 -3.578 1.593 4.375 1.00 25.23 C ATOM 1651 O TRP A 107 -4.608 2.276 4.332 1.00 34.21 O ATOM 1652 CB TRP A 107 -3.677 0.329 2.146 1.00 70.20 C ATOM 1653 CG TRP A 107 -2.450 0.810 1.395 1.00 4.42 C ATOM 1654 CD1 TRP A 107 -1.245 1.216 1.913 1.00 1.24 C ATOM 1655 CD2 TRP A 107 -2.323 0.925 -0.030 1.00 12.32 C ATOM 1656 NE1 TRP A 107 -0.389 1.560 0.903 1.00 31.24 N ATOM 1657 CE2 TRP A 107 -1.022 1.387 -0.298 1.00 33.21 C ATOM 1658 CE3 TRP A 107 -3.182 0.668 -1.102 1.00 65.24 C ATOM 1659 CZ2 TRP A 107 -0.564 1.614 -1.594 1.00 43.21 C ATOM 1660 CZ3 TRP A 107 -2.730 0.896 -2.386 1.00 33.01 C ATOM 1661 CH2 TRP A 107 -1.426 1.356 -2.622 1.00 73.14 C ATOM 0 H TRP A 107 -5.540 -0.330 3.931 1.00 71.20 H new ATOM 0 HA TRP A 107 -2.555 -0.247 3.892 1.00 40.34 H new ATOM 0 HB2 TRP A 107 -3.963 -0.645 1.750 1.00 70.20 H new ATOM 0 HB3 TRP A 107 -4.499 1.013 1.935 1.00 70.20 H new ATOM 0 HD1 TRP A 107 -1.007 1.258 2.966 1.00 1.24 H new ATOM 0 HE1 TRP A 107 0.568 1.892 1.025 1.00 31.24 H new ATOM 0 HE3 TRP A 107 -4.182 0.298 -0.929 1.00 65.24 H new ATOM 0 HZ2 TRP A 107 0.435 1.980 -1.779 1.00 43.21 H new ATOM 0 HZ3 TRP A 107 -3.390 0.718 -3.222 1.00 33.01 H new ATOM 0 HH2 TRP A 107 -1.096 1.510 -3.639 1.00 73.14 H new ATOM 1672 N THR A 108 -2.468 1.996 5.008 1.00 10.32 N ATOM 1673 CA THR A 108 -2.382 3.244 5.808 1.00 34.42 C ATOM 1674 C THR A 108 -1.137 4.063 5.396 1.00 4.52 C ATOM 1675 O THR A 108 -0.069 3.491 5.238 1.00 34.15 O ATOM 1676 CB THR A 108 -2.318 2.897 7.345 1.00 23.22 C ATOM 1677 OG1 THR A 108 -3.496 2.161 7.731 1.00 61.13 O ATOM 1678 CG2 THR A 108 -2.184 4.144 8.247 1.00 62.23 C ATOM 0 H THR A 108 -1.595 1.469 4.985 1.00 10.32 H new ATOM 0 HA THR A 108 -3.272 3.844 5.617 1.00 34.42 H new ATOM 0 HB THR A 108 -1.420 2.295 7.488 1.00 23.22 H new ATOM 0 HG1 THR A 108 -3.450 1.947 8.686 1.00 61.13 H new ATOM 0 HG21 THR A 108 -2.145 3.835 9.292 1.00 62.23 H new ATOM 0 HG22 THR A 108 -1.270 4.680 7.993 1.00 62.23 H new ATOM 0 HG23 THR A 108 -3.042 4.798 8.094 1.00 62.23 H new ATOM 1686 N ALA A 109 -1.283 5.396 5.221 1.00 14.01 N ATOM 1687 CA ALA A 109 -0.165 6.313 4.882 1.00 43.22 C ATOM 1688 C ALA A 109 -0.175 7.552 5.803 1.00 65.55 C ATOM 1689 O ALA A 109 -1.080 8.380 5.736 1.00 2.12 O ATOM 1690 CB ALA A 109 -0.224 6.751 3.410 1.00 54.30 C ATOM 0 H ALA A 109 -2.182 5.870 5.311 1.00 14.01 H new ATOM 0 HA ALA A 109 0.765 5.765 5.037 1.00 43.22 H new ATOM 0 HB1 ALA A 109 0.609 7.421 3.196 1.00 54.30 H new ATOM 0 HB2 ALA A 109 -0.158 5.874 2.766 1.00 54.30 H new ATOM 0 HB3 ALA A 109 -1.164 7.269 3.222 1.00 54.30 H new ATOM 1696 N MET A 110 0.873 7.682 6.618 1.00 64.55 N ATOM 1697 CA MET A 110 1.036 8.760 7.611 1.00 52.44 C ATOM 1698 C MET A 110 2.333 9.542 7.327 1.00 42.40 C ATOM 1699 O MET A 110 3.395 8.950 7.122 1.00 61.45 O ATOM 1700 CB MET A 110 1.026 8.188 9.059 1.00 73.20 C ATOM 1701 CG MET A 110 1.826 6.891 9.263 1.00 22.10 C ATOM 1702 SD MET A 110 1.076 5.479 8.417 1.00 40.34 S ATOM 1703 CE MET A 110 2.071 4.113 9.005 1.00 24.32 C ATOM 0 H MET A 110 1.655 7.027 6.610 1.00 64.55 H new ATOM 0 HA MET A 110 0.194 9.447 7.527 1.00 52.44 H new ATOM 0 HB2 MET A 110 1.420 8.948 9.734 1.00 73.20 H new ATOM 0 HB3 MET A 110 -0.008 8.007 9.352 1.00 73.20 H new ATOM 0 HG2 MET A 110 2.843 7.033 8.896 1.00 22.10 H new ATOM 0 HG3 MET A 110 1.899 6.676 10.329 1.00 22.10 H new ATOM 0 HE1 MET A 110 1.982 3.274 8.314 1.00 24.32 H new ATOM 0 HE2 MET A 110 3.114 4.423 9.067 1.00 24.32 H new ATOM 0 HE3 MET A 110 1.724 3.808 9.992 1.00 24.32 H new ATOM 1713 N PHE A 111 2.235 10.876 7.334 1.00 4.12 N ATOM 1714 CA PHE A 111 3.329 11.773 6.903 1.00 43.03 C ATOM 1715 C PHE A 111 3.363 13.077 7.729 1.00 43.00 C ATOM 1716 O PHE A 111 2.327 13.570 8.182 1.00 13.25 O ATOM 1717 CB PHE A 111 3.217 12.061 5.369 1.00 72.24 C ATOM 1718 CG PHE A 111 1.792 12.308 4.841 1.00 52.43 C ATOM 1719 CD1 PHE A 111 1.141 13.527 5.043 1.00 51.31 C ATOM 1720 CD2 PHE A 111 1.108 11.314 4.131 1.00 30.04 C ATOM 1721 CE1 PHE A 111 -0.136 13.741 4.558 1.00 74.23 C ATOM 1722 CE2 PHE A 111 -0.169 11.530 3.646 1.00 14.43 C ATOM 1723 CZ PHE A 111 -0.789 12.745 3.858 1.00 24.10 C ATOM 0 H PHE A 111 1.397 11.371 7.638 1.00 4.12 H new ATOM 0 HA PHE A 111 4.276 11.266 7.088 1.00 43.03 H new ATOM 0 HB2 PHE A 111 3.828 12.933 5.136 1.00 72.24 H new ATOM 0 HB3 PHE A 111 3.645 11.218 4.827 1.00 72.24 H new ATOM 0 HD1 PHE A 111 1.643 14.314 5.586 1.00 51.31 H new ATOM 0 HD2 PHE A 111 1.586 10.361 3.959 1.00 30.04 H new ATOM 0 HE1 PHE A 111 -0.624 14.689 4.727 1.00 74.23 H new ATOM 0 HE2 PHE A 111 -0.680 10.749 3.102 1.00 14.43 H new ATOM 0 HZ PHE A 111 -1.785 12.917 3.477 1.00 24.10 H new ATOM 1733 N ASP A 112 4.583 13.616 7.926 1.00 13.51 N ATOM 1734 CA ASP A 112 4.788 14.917 8.589 1.00 12.35 C ATOM 1735 C ASP A 112 4.542 16.054 7.568 1.00 63.11 C ATOM 1736 O ASP A 112 5.457 16.473 6.843 1.00 2.42 O ATOM 1737 CB ASP A 112 6.214 14.981 9.205 1.00 72.35 C ATOM 1738 CG ASP A 112 6.510 16.295 9.951 1.00 62.32 C ATOM 1739 OD1 ASP A 112 5.965 16.494 11.058 1.00 40.20 O ATOM 1740 OD2 ASP A 112 7.272 17.144 9.430 1.00 11.53 O ATOM 0 H ASP A 112 5.449 13.164 7.631 1.00 13.51 H new ATOM 0 HA ASP A 112 4.078 15.039 9.407 1.00 12.35 H new ATOM 0 HB2 ASP A 112 6.340 14.146 9.895 1.00 72.35 H new ATOM 0 HB3 ASP A 112 6.949 14.852 8.411 1.00 72.35 H new ATOM 1745 N CYS A 113 3.271 16.475 7.456 1.00 50.32 N ATOM 1746 CA CYS A 113 2.866 17.575 6.543 1.00 25.40 C ATOM 1747 C CYS A 113 1.743 18.466 7.136 1.00 52.24 C ATOM 1748 O CYS A 113 1.114 18.119 8.144 1.00 63.53 O ATOM 1749 CB CYS A 113 2.422 16.990 5.186 1.00 14.44 C ATOM 1750 SG CYS A 113 2.002 18.228 3.944 1.00 63.35 S ATOM 0 H CYS A 113 2.498 16.073 7.986 1.00 50.32 H new ATOM 0 HA CYS A 113 3.736 18.217 6.405 1.00 25.40 H new ATOM 0 HB2 CYS A 113 3.221 16.359 4.797 1.00 14.44 H new ATOM 0 HB3 CYS A 113 1.557 16.346 5.347 1.00 14.44 H new ATOM 0 HG CYS A 113 2.821 18.130 2.939 1.00 63.35 H new ATOM 1756 N SER A 114 1.514 19.624 6.484 1.00 63.33 N ATOM 1757 CA SER A 114 0.471 20.605 6.865 1.00 65.42 C ATOM 1758 C SER A 114 -0.967 20.082 6.584 1.00 34.33 C ATOM 1759 O SER A 114 -1.180 19.398 5.580 1.00 44.10 O ATOM 1760 CB SER A 114 0.701 21.925 6.090 1.00 40.42 C ATOM 1761 OG SER A 114 1.982 22.480 6.360 1.00 13.51 O ATOM 0 H SER A 114 2.054 19.910 5.667 1.00 63.33 H new ATOM 0 HA SER A 114 0.553 20.772 7.939 1.00 65.42 H new ATOM 0 HB2 SER A 114 0.603 21.740 5.020 1.00 40.42 H new ATOM 0 HB3 SER A 114 -0.071 22.645 6.361 1.00 40.42 H new ATOM 0 HG SER A 114 2.092 23.311 5.852 1.00 13.51 H new ATOM 1767 N PRO A 115 -1.973 20.383 7.481 1.00 60.24 N ATOM 1768 CA PRO A 115 -3.417 20.027 7.258 1.00 12.34 C ATOM 1769 C PRO A 115 -3.987 20.454 5.872 1.00 61.24 C ATOM 1770 O PRO A 115 -4.753 19.705 5.242 1.00 14.35 O ATOM 1771 CB PRO A 115 -4.135 20.786 8.399 1.00 73.34 C ATOM 1772 CG PRO A 115 -3.123 20.843 9.501 1.00 40.35 C ATOM 1773 CD PRO A 115 -1.784 21.034 8.815 1.00 10.25 C ATOM 0 HA PRO A 115 -3.558 18.946 7.262 1.00 12.34 H new ATOM 0 HB2 PRO A 115 -4.436 21.785 8.084 1.00 73.34 H new ATOM 0 HB3 PRO A 115 -5.039 20.265 8.716 1.00 73.34 H new ATOM 0 HG2 PRO A 115 -3.334 21.665 10.185 1.00 40.35 H new ATOM 0 HG3 PRO A 115 -3.134 19.927 10.091 1.00 40.35 H new ATOM 0 HD2 PRO A 115 -1.533 22.090 8.713 1.00 10.25 H new ATOM 0 HD3 PRO A 115 -0.976 20.567 9.378 1.00 10.25 H new ATOM 1781 N GLU A 116 -3.601 21.663 5.417 1.00 20.24 N ATOM 1782 CA GLU A 116 -4.002 22.226 4.091 1.00 35.54 C ATOM 1783 C GLU A 116 -3.546 21.341 2.900 1.00 61.32 C ATOM 1784 O GLU A 116 -4.201 21.297 1.854 1.00 44.11 O ATOM 1785 CB GLU A 116 -3.434 23.668 3.948 1.00 2.12 C ATOM 1786 CG GLU A 116 -1.892 23.755 3.991 1.00 65.11 C ATOM 1787 CD GLU A 116 -1.360 25.192 4.108 1.00 23.13 C ATOM 1788 OE1 GLU A 116 -1.194 25.868 3.070 1.00 20.32 O ATOM 1789 OE2 GLU A 116 -1.111 25.656 5.244 1.00 73.32 O ATOM 0 H GLU A 116 -2.999 22.287 5.954 1.00 20.24 H new ATOM 0 HA GLU A 116 -5.091 22.250 4.059 1.00 35.54 H new ATOM 0 HB2 GLU A 116 -3.783 24.091 3.006 1.00 2.12 H new ATOM 0 HB3 GLU A 116 -3.843 24.287 4.747 1.00 2.12 H new ATOM 0 HG2 GLU A 116 -1.527 23.171 4.836 1.00 65.11 H new ATOM 0 HG3 GLU A 116 -1.485 23.298 3.089 1.00 65.11 H new ATOM 1796 N THR A 117 -2.410 20.660 3.070 1.00 44.53 N ATOM 1797 CA THR A 117 -1.876 19.707 2.075 1.00 43.31 C ATOM 1798 C THR A 117 -2.412 18.279 2.328 1.00 52.13 C ATOM 1799 O THR A 117 -2.594 17.502 1.395 1.00 23.52 O ATOM 1800 CB THR A 117 -0.312 19.723 2.100 1.00 15.14 C ATOM 1801 OG1 THR A 117 0.154 21.079 1.937 1.00 25.50 O ATOM 1802 CG2 THR A 117 0.306 18.836 1.000 1.00 20.33 C ATOM 0 H THR A 117 -1.827 20.750 3.902 1.00 44.53 H new ATOM 0 HA THR A 117 -2.214 20.018 1.087 1.00 43.31 H new ATOM 0 HB THR A 117 0.003 19.318 3.062 1.00 15.14 H new ATOM 0 HG1 THR A 117 1.134 21.092 1.954 1.00 25.50 H new ATOM 0 HG21 THR A 117 1.393 18.883 1.062 1.00 20.33 H new ATOM 0 HG22 THR A 117 -0.021 17.805 1.137 1.00 20.33 H new ATOM 0 HG23 THR A 117 -0.017 19.192 0.022 1.00 20.33 H new ATOM 1810 N ALA A 118 -2.697 17.959 3.608 1.00 53.34 N ATOM 1811 CA ALA A 118 -3.161 16.614 4.036 1.00 53.34 C ATOM 1812 C ALA A 118 -4.564 16.273 3.475 1.00 64.41 C ATOM 1813 O ALA A 118 -4.852 15.115 3.201 1.00 70.12 O ATOM 1814 CB ALA A 118 -3.149 16.516 5.571 1.00 4.15 C ATOM 0 H ALA A 118 -2.613 18.623 4.377 1.00 53.34 H new ATOM 0 HA ALA A 118 -2.469 15.879 3.625 1.00 53.34 H new ATOM 0 HB1 ALA A 118 -3.491 15.527 5.875 1.00 4.15 H new ATOM 0 HB2 ALA A 118 -2.136 16.679 5.938 1.00 4.15 H new ATOM 0 HB3 ALA A 118 -3.812 17.273 5.989 1.00 4.15 H new ATOM 1820 N ARG A 119 -5.430 17.301 3.347 1.00 11.23 N ATOM 1821 CA ARG A 119 -6.761 17.191 2.695 1.00 41.01 C ATOM 1822 C ARG A 119 -6.641 16.950 1.164 1.00 71.33 C ATOM 1823 O ARG A 119 -7.462 16.236 0.577 1.00 64.43 O ATOM 1824 CB ARG A 119 -7.610 18.466 2.962 1.00 23.23 C ATOM 1825 CG ARG A 119 -6.995 19.776 2.410 1.00 62.34 C ATOM 1826 CD ARG A 119 -7.972 20.962 2.443 1.00 45.21 C ATOM 1827 NE ARG A 119 -9.149 20.734 1.583 1.00 31.13 N ATOM 1828 CZ ARG A 119 -10.333 21.291 1.737 1.00 21.52 C ATOM 1829 NH1 ARG A 119 -10.600 22.047 2.761 1.00 75.40 N ATOM 1830 NH2 ARG A 119 -11.254 21.055 0.867 1.00 53.32 N ATOM 0 H ARG A 119 -5.228 18.239 3.694 1.00 11.23 H new ATOM 0 HA ARG A 119 -7.260 16.327 3.133 1.00 41.01 H new ATOM 0 HB2 ARG A 119 -8.597 18.329 2.520 1.00 23.23 H new ATOM 0 HB3 ARG A 119 -7.754 18.572 4.037 1.00 23.23 H new ATOM 0 HG2 ARG A 119 -6.108 20.027 2.992 1.00 62.34 H new ATOM 0 HG3 ARG A 119 -6.667 19.612 1.384 1.00 62.34 H new ATOM 0 HD2 ARG A 119 -8.300 21.133 3.468 1.00 45.21 H new ATOM 0 HD3 ARG A 119 -7.456 21.866 2.119 1.00 45.21 H new ATOM 0 HE ARG A 119 -9.036 20.089 0.801 1.00 31.13 H new ATOM 0 HH11 ARG A 119 -9.885 22.220 3.467 1.00 75.40 H new ATOM 0 HH12 ARG A 119 -11.525 22.467 2.858 1.00 75.40 H new ATOM 0 HH21 ARG A 119 -11.061 20.444 0.073 1.00 53.32 H new ATOM 0 HH22 ARG A 119 -12.176 21.479 0.972 1.00 53.32 H new ATOM 1844 N GLU A 120 -5.632 17.582 0.526 1.00 10.31 N ATOM 1845 CA GLU A 120 -5.327 17.388 -0.912 1.00 54.44 C ATOM 1846 C GLU A 120 -4.882 15.930 -1.163 1.00 13.24 C ATOM 1847 O GLU A 120 -5.409 15.237 -2.038 1.00 71.11 O ATOM 1848 CB GLU A 120 -4.205 18.378 -1.337 1.00 63.24 C ATOM 1849 CG GLU A 120 -3.677 18.198 -2.779 1.00 62.02 C ATOM 1850 CD GLU A 120 -2.454 19.083 -3.084 1.00 64.01 C ATOM 1851 OE1 GLU A 120 -1.339 18.753 -2.614 1.00 73.22 O ATOM 1852 OE2 GLU A 120 -2.599 20.119 -3.774 1.00 74.30 O ATOM 0 H GLU A 120 -5.006 18.240 0.990 1.00 10.31 H new ATOM 0 HA GLU A 120 -6.220 17.584 -1.506 1.00 54.44 H new ATOM 0 HB2 GLU A 120 -4.581 19.395 -1.230 1.00 63.24 H new ATOM 0 HB3 GLU A 120 -3.369 18.273 -0.646 1.00 63.24 H new ATOM 0 HG2 GLU A 120 -3.411 17.153 -2.935 1.00 62.02 H new ATOM 0 HG3 GLU A 120 -4.474 18.433 -3.484 1.00 62.02 H new ATOM 1859 N LEU A 121 -3.935 15.476 -0.328 1.00 42.21 N ATOM 1860 CA LEU A 121 -3.365 14.120 -0.387 1.00 32.01 C ATOM 1861 C LEU A 121 -4.379 13.062 0.101 1.00 20.40 C ATOM 1862 O LEU A 121 -4.275 11.898 -0.251 1.00 53.22 O ATOM 1863 CB LEU A 121 -2.055 14.063 0.438 1.00 42.31 C ATOM 1864 CG LEU A 121 -0.922 15.034 -0.030 1.00 65.22 C ATOM 1865 CD1 LEU A 121 0.310 14.945 0.889 1.00 32.42 C ATOM 1866 CD2 LEU A 121 -0.536 14.782 -1.506 1.00 50.12 C ATOM 0 H LEU A 121 -3.538 16.048 0.418 1.00 42.21 H new ATOM 0 HA LEU A 121 -3.133 13.887 -1.426 1.00 32.01 H new ATOM 0 HB2 LEU A 121 -2.292 14.284 1.479 1.00 42.31 H new ATOM 0 HB3 LEU A 121 -1.671 13.043 0.408 1.00 42.31 H new ATOM 0 HG LEU A 121 -1.314 16.049 0.040 1.00 65.22 H new ATOM 0 HD11 LEU A 121 1.078 15.633 0.535 1.00 32.42 H new ATOM 0 HD12 LEU A 121 0.025 15.212 1.907 1.00 32.42 H new ATOM 0 HD13 LEU A 121 0.700 13.927 0.877 1.00 32.42 H new ATOM 0 HD21 LEU A 121 0.254 15.474 -1.799 1.00 50.12 H new ATOM 0 HD22 LEU A 121 -0.182 13.758 -1.620 1.00 50.12 H new ATOM 0 HD23 LEU A 121 -1.408 14.937 -2.142 1.00 50.12 H new ATOM 1878 N GLU A 122 -5.350 13.486 0.924 1.00 71.10 N ATOM 1879 CA GLU A 122 -6.473 12.633 1.373 1.00 25.52 C ATOM 1880 C GLU A 122 -7.275 12.098 0.163 1.00 13.22 C ATOM 1881 O GLU A 122 -7.570 10.904 0.073 1.00 31.42 O ATOM 1882 CB GLU A 122 -7.387 13.473 2.299 1.00 54.12 C ATOM 1883 CG GLU A 122 -8.469 12.698 3.051 1.00 51.51 C ATOM 1884 CD GLU A 122 -9.435 13.618 3.814 1.00 25.31 C ATOM 1885 OE1 GLU A 122 -10.382 14.144 3.188 1.00 72.23 O ATOM 1886 OE2 GLU A 122 -9.251 13.836 5.031 1.00 75.20 O ATOM 0 H GLU A 122 -5.383 14.433 1.301 1.00 71.10 H new ATOM 0 HA GLU A 122 -6.083 11.772 1.916 1.00 25.52 H new ATOM 0 HB2 GLU A 122 -6.760 13.985 3.029 1.00 54.12 H new ATOM 0 HB3 GLU A 122 -7.870 14.244 1.698 1.00 54.12 H new ATOM 0 HG2 GLU A 122 -9.034 12.091 2.343 1.00 51.51 H new ATOM 0 HG3 GLU A 122 -7.997 12.011 3.753 1.00 51.51 H new ATOM 1893 N SER A 123 -7.625 13.017 -0.754 1.00 20.25 N ATOM 1894 CA SER A 123 -8.290 12.676 -2.032 1.00 44.22 C ATOM 1895 C SER A 123 -7.353 11.915 -3.010 1.00 52.44 C ATOM 1896 O SER A 123 -7.709 10.843 -3.500 1.00 1.11 O ATOM 1897 CB SER A 123 -8.824 13.957 -2.706 1.00 32.54 C ATOM 1898 OG SER A 123 -9.694 14.673 -1.841 1.00 65.13 O ATOM 0 H SER A 123 -7.457 14.016 -0.634 1.00 20.25 H new ATOM 0 HA SER A 123 -9.117 12.007 -1.794 1.00 44.22 H new ATOM 0 HB2 SER A 123 -7.988 14.595 -2.993 1.00 32.54 H new ATOM 0 HB3 SER A 123 -9.354 13.695 -3.622 1.00 32.54 H new ATOM 0 HG SER A 123 -10.015 15.480 -2.295 1.00 65.13 H new ATOM 1904 N VAL A 124 -6.163 12.483 -3.288 1.00 32.01 N ATOM 1905 CA VAL A 124 -5.212 11.930 -4.295 1.00 53.42 C ATOM 1906 C VAL A 124 -4.664 10.531 -3.892 1.00 35.43 C ATOM 1907 O VAL A 124 -4.755 9.568 -4.657 1.00 74.41 O ATOM 1908 CB VAL A 124 -4.008 12.928 -4.529 1.00 0.31 C ATOM 1909 CG1 VAL A 124 -2.958 12.352 -5.524 1.00 24.35 C ATOM 1910 CG2 VAL A 124 -4.523 14.309 -5.015 1.00 52.45 C ATOM 0 H VAL A 124 -5.828 13.331 -2.830 1.00 32.01 H new ATOM 0 HA VAL A 124 -5.773 11.809 -5.222 1.00 53.42 H new ATOM 0 HB VAL A 124 -3.508 13.061 -3.569 1.00 0.31 H new ATOM 0 HG11 VAL A 124 -2.149 13.070 -5.655 1.00 24.35 H new ATOM 0 HG12 VAL A 124 -2.555 11.420 -5.128 1.00 24.35 H new ATOM 0 HG13 VAL A 124 -3.434 12.162 -6.486 1.00 24.35 H new ATOM 0 HG21 VAL A 124 -3.677 14.979 -5.169 1.00 52.45 H new ATOM 0 HG22 VAL A 124 -5.064 14.186 -5.953 1.00 52.45 H new ATOM 0 HG23 VAL A 124 -5.190 14.733 -4.264 1.00 52.45 H new ATOM 1920 N ILE A 125 -4.103 10.438 -2.683 1.00 14.13 N ATOM 1921 CA ILE A 125 -3.512 9.185 -2.159 1.00 73.33 C ATOM 1922 C ILE A 125 -4.614 8.224 -1.630 1.00 13.42 C ATOM 1923 O ILE A 125 -4.630 7.048 -1.983 1.00 61.01 O ATOM 1924 CB ILE A 125 -2.441 9.491 -1.033 1.00 62.44 C ATOM 1925 CG1 ILE A 125 -1.298 10.410 -1.596 1.00 31.35 C ATOM 1926 CG2 ILE A 125 -1.863 8.196 -0.408 1.00 11.42 C ATOM 1927 CD1 ILE A 125 -0.231 10.817 -0.579 1.00 23.23 C ATOM 0 H ILE A 125 -4.041 11.223 -2.034 1.00 14.13 H new ATOM 0 HA ILE A 125 -3.002 8.687 -2.984 1.00 73.33 H new ATOM 0 HB ILE A 125 -2.952 10.025 -0.232 1.00 62.44 H new ATOM 0 HG12 ILE A 125 -0.811 9.892 -2.422 1.00 31.35 H new ATOM 0 HG13 ILE A 125 -1.749 11.313 -2.007 1.00 31.35 H new ATOM 0 HG21 ILE A 125 -1.133 8.456 0.359 1.00 11.42 H new ATOM 0 HG22 ILE A 125 -2.670 7.617 0.041 1.00 11.42 H new ATOM 0 HG23 ILE A 125 -1.379 7.603 -1.183 1.00 11.42 H new ATOM 0 HD11 ILE A 125 0.512 11.449 -1.065 1.00 23.23 H new ATOM 0 HD12 ILE A 125 -0.698 11.367 0.238 1.00 23.23 H new ATOM 0 HD13 ILE A 125 0.254 9.925 -0.184 1.00 23.23 H new ATOM 1939 N GLY A 126 -5.547 8.743 -0.808 1.00 11.10 N ATOM 1940 CA GLY A 126 -6.604 7.908 -0.191 1.00 13.23 C ATOM 1941 C GLY A 126 -7.620 7.318 -1.188 1.00 30.25 C ATOM 1942 O GLY A 126 -7.873 6.113 -1.186 1.00 32.25 O ATOM 0 H GLY A 126 -5.593 9.730 -0.555 1.00 11.10 H new ATOM 0 HA2 GLY A 126 -6.131 7.090 0.352 1.00 13.23 H new ATOM 0 HA3 GLY A 126 -7.142 8.509 0.542 1.00 13.23 H new ATOM 1946 N ASP A 127 -8.218 8.168 -2.031 1.00 45.15 N ATOM 1947 CA ASP A 127 -9.231 7.731 -3.028 1.00 40.32 C ATOM 1948 C ASP A 127 -8.583 7.323 -4.374 1.00 74.40 C ATOM 1949 O ASP A 127 -8.933 6.290 -4.960 1.00 13.50 O ATOM 1950 CB ASP A 127 -10.263 8.856 -3.247 1.00 41.22 C ATOM 1951 CG ASP A 127 -10.992 9.242 -1.954 1.00 12.14 C ATOM 1952 OD1 ASP A 127 -10.469 10.083 -1.197 1.00 43.01 O ATOM 1953 OD2 ASP A 127 -12.080 8.690 -1.672 1.00 65.20 O ATOM 0 H ASP A 127 -8.024 9.169 -2.051 1.00 45.15 H new ATOM 0 HA ASP A 127 -9.732 6.848 -2.632 1.00 40.32 H new ATOM 0 HB2 ASP A 127 -9.759 9.733 -3.652 1.00 41.22 H new ATOM 0 HB3 ASP A 127 -10.993 8.536 -3.990 1.00 41.22 H new ATOM 1958 N GLY A 128 -7.633 8.145 -4.844 1.00 71.44 N ATOM 1959 CA GLY A 128 -6.993 7.938 -6.147 1.00 2.50 C ATOM 1960 C GLY A 128 -6.089 6.705 -6.204 1.00 14.25 C ATOM 1961 O GLY A 128 -6.182 5.907 -7.134 1.00 72.23 O ATOM 0 H GLY A 128 -7.292 8.962 -4.337 1.00 71.44 H new ATOM 0 HA2 GLY A 128 -7.766 7.845 -6.910 1.00 2.50 H new ATOM 0 HA3 GLY A 128 -6.404 8.821 -6.396 1.00 2.50 H new ATOM 1965 N VAL A 129 -5.222 6.548 -5.195 1.00 51.53 N ATOM 1966 CA VAL A 129 -4.249 5.431 -5.134 1.00 43.25 C ATOM 1967 C VAL A 129 -4.828 4.209 -4.373 1.00 24.13 C ATOM 1968 O VAL A 129 -4.838 3.089 -4.906 1.00 11.21 O ATOM 1969 CB VAL A 129 -2.901 5.908 -4.468 1.00 11.31 C ATOM 1970 CG1 VAL A 129 -1.865 4.765 -4.342 1.00 52.02 C ATOM 1971 CG2 VAL A 129 -2.297 7.114 -5.237 1.00 71.51 C ATOM 0 H VAL A 129 -5.169 7.183 -4.399 1.00 51.53 H new ATOM 0 HA VAL A 129 -4.044 5.116 -6.157 1.00 43.25 H new ATOM 0 HB VAL A 129 -3.148 6.228 -3.456 1.00 11.31 H new ATOM 0 HG11 VAL A 129 -0.956 5.147 -3.877 1.00 52.02 H new ATOM 0 HG12 VAL A 129 -2.278 3.966 -3.727 1.00 52.02 H new ATOM 0 HG13 VAL A 129 -1.630 4.376 -5.333 1.00 52.02 H new ATOM 0 HG21 VAL A 129 -1.368 7.423 -4.757 1.00 71.51 H new ATOM 0 HG22 VAL A 129 -2.094 6.823 -6.268 1.00 71.51 H new ATOM 0 HG23 VAL A 129 -3.004 7.943 -5.227 1.00 71.51 H new ATOM 1981 N PHE A 130 -5.323 4.432 -3.136 1.00 42.31 N ATOM 1982 CA PHE A 130 -5.728 3.330 -2.223 1.00 45.11 C ATOM 1983 C PHE A 130 -7.071 2.701 -2.627 1.00 74.22 C ATOM 1984 O PHE A 130 -7.130 1.499 -2.836 1.00 5.25 O ATOM 1985 CB PHE A 130 -5.803 3.798 -0.734 1.00 11.31 C ATOM 1986 CG PHE A 130 -4.483 4.152 -0.043 1.00 45.10 C ATOM 1987 CD1 PHE A 130 -3.314 4.397 -0.762 1.00 35.42 C ATOM 1988 CD2 PHE A 130 -4.424 4.233 1.350 1.00 32.44 C ATOM 1989 CE1 PHE A 130 -2.138 4.706 -0.116 1.00 14.11 C ATOM 1990 CE2 PHE A 130 -3.247 4.541 1.992 1.00 74.23 C ATOM 1991 CZ PHE A 130 -2.104 4.776 1.258 1.00 74.21 C ATOM 0 H PHE A 130 -5.453 5.364 -2.743 1.00 42.31 H new ATOM 0 HA PHE A 130 -4.949 2.573 -2.314 1.00 45.11 H new ATOM 0 HB2 PHE A 130 -6.453 4.671 -0.687 1.00 11.31 H new ATOM 0 HB3 PHE A 130 -6.286 3.010 -0.156 1.00 11.31 H new ATOM 0 HD1 PHE A 130 -3.331 4.344 -1.841 1.00 35.42 H new ATOM 0 HD2 PHE A 130 -5.316 4.051 1.932 1.00 32.44 H new ATOM 0 HE1 PHE A 130 -1.241 4.894 -0.688 1.00 14.11 H new ATOM 0 HE2 PHE A 130 -3.218 4.599 3.070 1.00 74.23 H new ATOM 0 HZ PHE A 130 -1.180 5.016 1.762 1.00 74.21 H new ATOM 2001 N ALA A 131 -8.147 3.513 -2.716 1.00 35.20 N ATOM 2002 CA ALA A 131 -9.505 2.996 -3.058 1.00 43.24 C ATOM 2003 C ALA A 131 -9.504 2.226 -4.394 1.00 41.42 C ATOM 2004 O ALA A 131 -10.154 1.194 -4.528 1.00 21.51 O ATOM 2005 CB ALA A 131 -10.536 4.131 -3.093 1.00 44.14 C ATOM 0 H ALA A 131 -8.111 4.520 -2.559 1.00 35.20 H new ATOM 0 HA ALA A 131 -9.789 2.297 -2.272 1.00 43.24 H new ATOM 0 HB1 ALA A 131 -11.516 3.725 -3.345 1.00 44.14 H new ATOM 0 HB2 ALA A 131 -10.582 4.611 -2.115 1.00 44.14 H new ATOM 0 HB3 ALA A 131 -10.244 4.865 -3.844 1.00 44.14 H new ATOM 2011 N VAL A 132 -8.734 2.735 -5.353 1.00 12.14 N ATOM 2012 CA VAL A 132 -8.515 2.079 -6.650 1.00 11.14 C ATOM 2013 C VAL A 132 -7.738 0.730 -6.510 1.00 70.24 C ATOM 2014 O VAL A 132 -8.221 -0.310 -6.971 1.00 41.13 O ATOM 2015 CB VAL A 132 -7.779 3.079 -7.614 1.00 54.43 C ATOM 2016 CG1 VAL A 132 -7.089 2.371 -8.789 1.00 1.31 C ATOM 2017 CG2 VAL A 132 -8.764 4.158 -8.128 1.00 53.53 C ATOM 0 H VAL A 132 -8.238 3.621 -5.256 1.00 12.14 H new ATOM 0 HA VAL A 132 -9.484 1.819 -7.076 1.00 11.14 H new ATOM 0 HB VAL A 132 -6.992 3.560 -7.033 1.00 54.43 H new ATOM 0 HG11 VAL A 132 -6.597 3.110 -9.421 1.00 1.31 H new ATOM 0 HG12 VAL A 132 -6.347 1.670 -8.406 1.00 1.31 H new ATOM 0 HG13 VAL A 132 -7.832 1.829 -9.375 1.00 1.31 H new ATOM 0 HG21 VAL A 132 -8.239 4.842 -8.794 1.00 53.53 H new ATOM 0 HG22 VAL A 132 -9.579 3.678 -8.670 1.00 53.53 H new ATOM 0 HG23 VAL A 132 -9.169 4.714 -7.282 1.00 53.53 H new ATOM 2027 N GLY A 133 -6.557 0.768 -5.862 1.00 64.41 N ATOM 2028 CA GLY A 133 -5.683 -0.415 -5.740 1.00 42.23 C ATOM 2029 C GLY A 133 -6.307 -1.570 -4.934 1.00 50.43 C ATOM 2030 O GLY A 133 -6.312 -2.719 -5.380 1.00 14.32 O ATOM 0 H GLY A 133 -6.186 1.606 -5.415 1.00 64.41 H new ATOM 0 HA2 GLY A 133 -5.433 -0.775 -6.738 1.00 42.23 H new ATOM 0 HA3 GLY A 133 -4.748 -0.117 -5.265 1.00 42.23 H new ATOM 2034 N LEU A 134 -6.843 -1.233 -3.750 1.00 45.44 N ATOM 2035 CA LEU A 134 -7.507 -2.190 -2.827 1.00 62.34 C ATOM 2036 C LEU A 134 -8.756 -2.857 -3.462 1.00 3.41 C ATOM 2037 O LEU A 134 -8.949 -4.073 -3.331 1.00 54.43 O ATOM 2038 CB LEU A 134 -7.894 -1.459 -1.509 1.00 75.22 C ATOM 2039 CG LEU A 134 -6.707 -0.956 -0.622 1.00 4.44 C ATOM 2040 CD1 LEU A 134 -7.224 -0.189 0.614 1.00 15.11 C ATOM 2041 CD2 LEU A 134 -5.778 -2.124 -0.214 1.00 71.50 C ATOM 0 H LEU A 134 -6.831 -0.277 -3.395 1.00 45.44 H new ATOM 0 HA LEU A 134 -6.798 -2.989 -2.613 1.00 62.34 H new ATOM 0 HB2 LEU A 134 -8.518 -0.602 -1.763 1.00 75.22 H new ATOM 0 HB3 LEU A 134 -8.507 -2.133 -0.911 1.00 75.22 H new ATOM 0 HG LEU A 134 -6.116 -0.261 -1.219 1.00 4.44 H new ATOM 0 HD11 LEU A 134 -6.378 0.149 1.213 1.00 15.11 H new ATOM 0 HD12 LEU A 134 -7.807 0.673 0.290 1.00 15.11 H new ATOM 0 HD13 LEU A 134 -7.853 -0.847 1.214 1.00 15.11 H new ATOM 0 HD21 LEU A 134 -4.963 -1.743 0.401 1.00 71.50 H new ATOM 0 HD22 LEU A 134 -6.347 -2.861 0.353 1.00 71.50 H new ATOM 0 HD23 LEU A 134 -5.368 -2.593 -1.109 1.00 71.50 H new ATOM 2053 N ASN A 135 -9.591 -2.058 -4.168 1.00 42.21 N ATOM 2054 CA ASN A 135 -10.812 -2.583 -4.833 1.00 55.42 C ATOM 2055 C ASN A 135 -10.444 -3.473 -6.037 1.00 42.30 C ATOM 2056 O ASN A 135 -11.065 -4.507 -6.239 1.00 41.42 O ATOM 2057 CB ASN A 135 -11.785 -1.450 -5.264 1.00 42.01 C ATOM 2058 CG ASN A 135 -12.535 -0.807 -4.088 1.00 65.03 C ATOM 2059 OD1 ASN A 135 -12.774 -1.438 -3.063 1.00 42.42 O ATOM 2060 ND2 ASN A 135 -12.928 0.446 -4.234 1.00 53.22 N ATOM 0 H ASN A 135 -9.445 -1.056 -4.292 1.00 42.21 H new ATOM 0 HA ASN A 135 -11.336 -3.192 -4.096 1.00 55.42 H new ATOM 0 HB2 ASN A 135 -11.222 -0.679 -5.791 1.00 42.01 H new ATOM 0 HB3 ASN A 135 -12.510 -1.854 -5.970 1.00 42.01 H new ATOM 0 HD21 ASN A 135 -13.442 0.910 -3.485 1.00 53.22 H new ATOM 0 HD22 ASN A 135 -12.717 0.950 -5.096 1.00 53.22 H new ATOM 2067 N ALA A 136 -9.416 -3.073 -6.813 1.00 62.31 N ATOM 2068 CA ALA A 136 -8.896 -3.878 -7.952 1.00 2.03 C ATOM 2069 C ALA A 136 -8.346 -5.244 -7.469 1.00 75.50 C ATOM 2070 O ALA A 136 -8.491 -6.267 -8.152 1.00 43.35 O ATOM 2071 CB ALA A 136 -7.809 -3.090 -8.704 1.00 30.41 C ATOM 0 H ALA A 136 -8.922 -2.191 -6.675 1.00 62.31 H new ATOM 0 HA ALA A 136 -9.722 -4.077 -8.635 1.00 2.03 H new ATOM 0 HB1 ALA A 136 -7.435 -3.688 -9.535 1.00 30.41 H new ATOM 0 HB2 ALA A 136 -8.232 -2.161 -9.087 1.00 30.41 H new ATOM 0 HB3 ALA A 136 -6.989 -2.862 -8.024 1.00 30.41 H new ATOM 2077 N LEU A 137 -7.727 -5.243 -6.276 1.00 63.30 N ATOM 2078 CA LEU A 137 -7.225 -6.468 -5.617 1.00 70.32 C ATOM 2079 C LEU A 137 -8.415 -7.404 -5.233 1.00 74.41 C ATOM 2080 O LEU A 137 -8.330 -8.628 -5.368 1.00 55.34 O ATOM 2081 CB LEU A 137 -6.346 -6.064 -4.385 1.00 70.44 C ATOM 2082 CG LEU A 137 -5.296 -7.119 -3.881 1.00 13.32 C ATOM 2083 CD1 LEU A 137 -4.197 -6.467 -3.024 1.00 1.51 C ATOM 2084 CD2 LEU A 137 -5.936 -8.276 -3.098 1.00 32.22 C ATOM 0 H LEU A 137 -7.559 -4.393 -5.738 1.00 63.30 H new ATOM 0 HA LEU A 137 -6.595 -7.036 -6.301 1.00 70.32 H new ATOM 0 HB2 LEU A 137 -5.812 -5.148 -4.636 1.00 70.44 H new ATOM 0 HB3 LEU A 137 -7.013 -5.827 -3.556 1.00 70.44 H new ATOM 0 HG LEU A 137 -4.848 -7.533 -4.784 1.00 13.32 H new ATOM 0 HD11 LEU A 137 -3.491 -7.230 -2.695 1.00 1.51 H new ATOM 0 HD12 LEU A 137 -3.671 -5.717 -3.615 1.00 1.51 H new ATOM 0 HD13 LEU A 137 -4.649 -5.991 -2.153 1.00 1.51 H new ATOM 0 HD21 LEU A 137 -5.160 -8.971 -2.777 1.00 32.22 H new ATOM 0 HD22 LEU A 137 -6.454 -7.881 -2.224 1.00 32.22 H new ATOM 0 HD23 LEU A 137 -6.648 -8.798 -3.737 1.00 32.22 H new ATOM 2096 N ALA A 138 -9.527 -6.802 -4.787 1.00 20.34 N ATOM 2097 CA ALA A 138 -10.773 -7.541 -4.473 1.00 1.13 C ATOM 2098 C ALA A 138 -11.486 -8.049 -5.758 1.00 30.21 C ATOM 2099 O ALA A 138 -12.105 -9.115 -5.745 1.00 30.13 O ATOM 2100 CB ALA A 138 -11.707 -6.654 -3.643 1.00 53.24 C ATOM 0 H ALA A 138 -9.595 -5.796 -4.632 1.00 20.34 H new ATOM 0 HA ALA A 138 -10.506 -8.422 -3.890 1.00 1.13 H new ATOM 0 HB1 ALA A 138 -12.621 -7.202 -3.415 1.00 53.24 H new ATOM 0 HB2 ALA A 138 -11.211 -6.373 -2.714 1.00 53.24 H new ATOM 0 HB3 ALA A 138 -11.954 -5.756 -4.209 1.00 53.24 H new ATOM 2106 N GLU A 139 -11.372 -7.282 -6.863 1.00 71.34 N ATOM 2107 CA GLU A 139 -11.989 -7.630 -8.168 1.00 14.25 C ATOM 2108 C GLU A 139 -11.302 -8.856 -8.818 1.00 22.33 C ATOM 2109 O GLU A 139 -11.978 -9.739 -9.352 1.00 72.13 O ATOM 2110 CB GLU A 139 -11.926 -6.416 -9.143 1.00 2.24 C ATOM 2111 CG GLU A 139 -12.788 -5.193 -8.745 1.00 30.00 C ATOM 2112 CD GLU A 139 -14.304 -5.420 -8.889 1.00 32.33 C ATOM 2113 OE1 GLU A 139 -14.831 -5.238 -10.011 1.00 62.20 O ATOM 2114 OE2 GLU A 139 -14.977 -5.775 -7.897 1.00 12.23 O ATOM 0 H GLU A 139 -10.851 -6.405 -6.879 1.00 71.34 H new ATOM 0 HA GLU A 139 -13.031 -7.887 -7.975 1.00 14.25 H new ATOM 0 HB2 GLU A 139 -10.888 -6.094 -9.228 1.00 2.24 H new ATOM 0 HB3 GLU A 139 -12.237 -6.751 -10.132 1.00 2.24 H new ATOM 0 HG2 GLU A 139 -12.568 -4.928 -7.711 1.00 30.00 H new ATOM 0 HG3 GLU A 139 -12.499 -4.342 -9.361 1.00 30.00 H new ATOM 2121 N ARG A 140 -9.951 -8.896 -8.768 1.00 45.32 N ATOM 2122 CA ARG A 140 -9.158 -10.000 -9.376 1.00 74.42 C ATOM 2123 C ARG A 140 -9.365 -11.343 -8.627 1.00 43.10 C ATOM 2124 O ARG A 140 -9.262 -12.417 -9.222 1.00 51.21 O ATOM 2125 CB ARG A 140 -7.649 -9.619 -9.449 1.00 35.00 C ATOM 2126 CG ARG A 140 -6.900 -9.600 -8.096 1.00 31.34 C ATOM 2127 CD ARG A 140 -5.441 -9.116 -8.214 1.00 12.23 C ATOM 2128 NE ARG A 140 -4.666 -9.876 -9.217 1.00 20.43 N ATOM 2129 CZ ARG A 140 -3.855 -10.890 -8.969 1.00 10.14 C ATOM 2130 NH1 ARG A 140 -3.742 -11.395 -7.778 1.00 44.12 N ATOM 2131 NH2 ARG A 140 -3.181 -11.420 -9.935 1.00 52.30 N ATOM 0 H ARG A 140 -9.384 -8.180 -8.315 1.00 45.32 H new ATOM 0 HA ARG A 140 -9.522 -10.145 -10.393 1.00 74.42 H new ATOM 0 HB2 ARG A 140 -7.146 -10.323 -10.113 1.00 35.00 H new ATOM 0 HB3 ARG A 140 -7.563 -8.633 -9.906 1.00 35.00 H new ATOM 0 HG2 ARG A 140 -7.435 -8.953 -7.401 1.00 31.34 H new ATOM 0 HG3 ARG A 140 -6.910 -10.603 -7.669 1.00 31.34 H new ATOM 0 HD2 ARG A 140 -5.434 -8.059 -8.480 1.00 12.23 H new ATOM 0 HD3 ARG A 140 -4.954 -9.203 -7.243 1.00 12.23 H new ATOM 0 HE ARG A 140 -4.766 -9.592 -10.191 1.00 20.43 H new ATOM 0 HH11 ARG A 140 -4.287 -11.009 -7.007 1.00 44.12 H new ATOM 0 HH12 ARG A 140 -3.109 -12.178 -7.614 1.00 44.12 H new ATOM 0 HH21 ARG A 140 -3.276 -11.056 -10.883 1.00 52.30 H new ATOM 0 HH22 ARG A 140 -2.554 -12.203 -9.750 1.00 52.30 H new ATOM 2145 N TYR A 141 -9.661 -11.270 -7.315 1.00 71.14 N ATOM 2146 CA TYR A 141 -10.042 -12.460 -6.507 1.00 42.41 C ATOM 2147 C TYR A 141 -11.583 -12.591 -6.363 1.00 53.22 C ATOM 2148 O TYR A 141 -12.063 -13.481 -5.658 1.00 53.25 O ATOM 2149 CB TYR A 141 -9.383 -12.390 -5.109 1.00 23.24 C ATOM 2150 CG TYR A 141 -7.847 -12.522 -5.105 1.00 45.45 C ATOM 2151 CD1 TYR A 141 -7.213 -13.712 -5.479 1.00 34.31 C ATOM 2152 CD2 TYR A 141 -7.037 -11.473 -4.683 1.00 70.41 C ATOM 2153 CE1 TYR A 141 -5.834 -13.834 -5.431 1.00 12.43 C ATOM 2154 CE2 TYR A 141 -5.670 -11.590 -4.637 1.00 42.52 C ATOM 2155 CZ TYR A 141 -5.066 -12.771 -5.007 1.00 14.14 C ATOM 2156 OH TYR A 141 -3.691 -12.886 -4.961 1.00 35.14 O ATOM 0 H TYR A 141 -9.645 -10.399 -6.784 1.00 71.14 H new ATOM 0 HA TYR A 141 -9.682 -13.344 -7.034 1.00 42.41 H new ATOM 0 HB2 TYR A 141 -9.652 -11.442 -4.644 1.00 23.24 H new ATOM 0 HB3 TYR A 141 -9.802 -13.180 -4.486 1.00 23.24 H new ATOM 0 HD1 TYR A 141 -7.809 -14.549 -5.811 1.00 34.31 H new ATOM 0 HD2 TYR A 141 -7.495 -10.542 -4.384 1.00 70.41 H new ATOM 0 HE1 TYR A 141 -5.362 -14.760 -5.725 1.00 12.43 H new ATOM 0 HE2 TYR A 141 -5.068 -10.755 -4.310 1.00 42.52 H new ATOM 0 HH TYR A 141 -3.419 -13.208 -4.076 1.00 35.14 H new ATOM 2166 N GLY A 142 -12.342 -11.729 -7.078 1.00 60.31 N ATOM 2167 CA GLY A 142 -13.828 -11.689 -7.012 1.00 60.43 C ATOM 2168 C GLY A 142 -14.574 -12.938 -7.535 1.00 23.41 C ATOM 2169 O GLY A 142 -15.790 -12.884 -7.763 1.00 72.22 O ATOM 0 H GLY A 142 -11.945 -11.041 -7.718 1.00 60.31 H new ATOM 0 HA2 GLY A 142 -14.119 -11.527 -5.974 1.00 60.43 H new ATOM 0 HA3 GLY A 142 -14.172 -10.824 -7.579 1.00 60.43 H new