USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=25 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 31 HIS : no HD1:sc= -0.625 K(o=-3.8,f=-1.7) USER MOD Set 1.2: A 33 GLN : amide:sc= -3.22 K(o=-3.8,f=-0.94) 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 71:sc= 0.449 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= 0.7 K(o=0.7,f=-2.1!) USER MOD Single : A 35 SER OG : rot -42:sc= 0.675 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 16:sc= 0.966 USER MOD Single : A 45 HIS : no HD1:sc= 0.587 K(o=0.69,f=-2.4!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.602 USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.62! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0.168 USER MOD Single : A 78 THR OG1 : rot 77:sc= 1.13 USER MOD Single : A 79 MET CE :methyl -124:sc= -0.97 (180deg=-1.97) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.206 X(o=0.21,f=-0.055) USER MOD Single : A 89 HIS : no HE2:sc= -4.05! C(o=-4.1!,f=-2.7!) USER MOD Single : A 102 HIS : no HE2:sc= -1.78! K(o=-1.8!,f=-0.036) USER MOD Single : A 103 CYS SG : rot -108:sc= -3.64! 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 180:sc= 0 (180deg=0) USER MOD Single : A 113 CYS SG : rot 107:sc= -1.83! 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= 0.806 K(o=0.81,f=0) USER MOD Single : A 141 TYR OH : rot -70:sc= 0.549 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -2.124 14.196 10.274 1.00 15.25 N ATOM 21 CA ALA A 2 -1.733 13.984 8.862 1.00 24.14 C ATOM 22 C ALA A 2 -1.391 12.493 8.614 1.00 64.55 C ATOM 23 O ALA A 2 -0.235 12.114 8.369 1.00 15.52 O ATOM 24 CB ALA A 2 -0.571 14.919 8.483 1.00 40.22 C ATOM 0 HA ALA A 2 -2.574 14.234 8.215 1.00 24.14 H new ATOM 0 HB1 ALA A 2 -0.294 14.752 7.442 1.00 40.22 H new ATOM 0 HB2 ALA A 2 -0.881 15.956 8.614 1.00 40.22 H new ATOM 0 HB3 ALA A 2 0.286 14.712 9.124 1.00 40.22 H new ATOM 30 N THR A 3 -2.423 11.641 8.729 1.00 2.31 N ATOM 31 CA THR A 3 -2.300 10.180 8.568 1.00 31.31 C ATOM 32 C THR A 3 -3.560 9.607 7.896 1.00 40.32 C ATOM 33 O THR A 3 -4.672 9.730 8.413 1.00 23.12 O ATOM 34 CB THR A 3 -2.054 9.446 9.938 1.00 0.01 C ATOM 35 OG1 THR A 3 -0.855 9.951 10.553 1.00 13.12 O ATOM 36 CG2 THR A 3 -1.921 7.915 9.772 1.00 11.04 C ATOM 0 H THR A 3 -3.373 11.947 8.938 1.00 2.31 H new ATOM 0 HA THR A 3 -1.430 10.003 7.935 1.00 31.31 H new ATOM 0 HB THR A 3 -2.923 9.643 10.565 1.00 0.01 H new ATOM 0 HG1 THR A 3 -0.707 9.492 11.406 1.00 13.12 H new ATOM 0 HG21 THR A 3 -1.752 7.457 10.746 1.00 11.04 H new ATOM 0 HG22 THR A 3 -2.837 7.515 9.337 1.00 11.04 H new ATOM 0 HG23 THR A 3 -1.080 7.692 9.116 1.00 11.04 H new ATOM 44 N LEU A 4 -3.350 8.996 6.733 1.00 12.10 N ATOM 45 CA LEU A 4 -4.390 8.311 5.948 1.00 30.31 C ATOM 46 C LEU A 4 -4.391 6.815 6.305 1.00 3.42 C ATOM 47 O LEU A 4 -3.349 6.258 6.640 1.00 53.44 O ATOM 48 CB LEU A 4 -4.098 8.483 4.424 1.00 10.12 C ATOM 49 CG LEU A 4 -4.452 9.864 3.769 1.00 41.32 C ATOM 50 CD1 LEU A 4 -3.883 11.071 4.544 1.00 60.10 C ATOM 51 CD2 LEU A 4 -3.973 9.893 2.307 1.00 60.04 C ATOM 0 H LEU A 4 -2.430 8.959 6.293 1.00 12.10 H new ATOM 0 HA LEU A 4 -5.364 8.744 6.178 1.00 30.31 H new ATOM 0 HB2 LEU A 4 -3.036 8.296 4.262 1.00 10.12 H new ATOM 0 HB3 LEU A 4 -4.644 7.707 3.887 1.00 10.12 H new ATOM 0 HG LEU A 4 -5.537 9.959 3.805 1.00 41.32 H new ATOM 0 HD11 LEU A 4 -4.164 11.994 4.037 1.00 60.10 H new ATOM 0 HD12 LEU A 4 -4.286 11.076 5.557 1.00 60.10 H new ATOM 0 HD13 LEU A 4 -2.796 10.997 4.586 1.00 60.10 H new ATOM 0 HD21 LEU A 4 -4.223 10.856 1.861 1.00 60.04 H new ATOM 0 HD22 LEU A 4 -2.893 9.748 2.275 1.00 60.04 H new ATOM 0 HD23 LEU A 4 -4.463 9.096 1.748 1.00 60.04 H new ATOM 63 N ARG A 5 -5.562 6.185 6.262 1.00 15.23 N ATOM 64 CA ARG A 5 -5.694 4.723 6.375 1.00 34.30 C ATOM 65 C ARG A 5 -6.917 4.247 5.577 1.00 62.23 C ATOM 66 O ARG A 5 -8.026 4.777 5.726 1.00 40.22 O ATOM 67 CB ARG A 5 -5.768 4.283 7.863 1.00 24.13 C ATOM 68 CG ARG A 5 -6.022 2.773 8.081 1.00 53.44 C ATOM 69 CD ARG A 5 -5.869 2.353 9.554 1.00 65.44 C ATOM 70 NE ARG A 5 -6.715 3.150 10.468 1.00 64.45 N ATOM 71 CZ ARG A 5 -6.481 3.332 11.752 1.00 52.11 C ATOM 72 NH1 ARG A 5 -5.439 2.805 12.332 1.00 54.43 N ATOM 73 NH2 ARG A 5 -7.288 4.056 12.453 1.00 55.31 N ATOM 0 H ARG A 5 -6.452 6.669 6.148 1.00 15.23 H new ATOM 0 HA ARG A 5 -4.807 4.253 5.950 1.00 34.30 H new ATOM 0 HB2 ARG A 5 -4.834 4.555 8.354 1.00 24.13 H new ATOM 0 HB3 ARG A 5 -6.562 4.845 8.355 1.00 24.13 H new ATOM 0 HG2 ARG A 5 -7.027 2.524 7.739 1.00 53.44 H new ATOM 0 HG3 ARG A 5 -5.326 2.199 7.469 1.00 53.44 H new ATOM 0 HD2 ARG A 5 -6.126 1.299 9.655 1.00 65.44 H new ATOM 0 HD3 ARG A 5 -4.825 2.456 9.850 1.00 65.44 H new ATOM 0 HE ARG A 5 -7.545 3.594 10.074 1.00 64.45 H new ATOM 0 HH11 ARG A 5 -4.786 2.239 11.790 1.00 54.43 H new ATOM 0 HH12 ARG A 5 -5.277 2.959 13.327 1.00 54.43 H new ATOM 0 HH21 ARG A 5 -8.102 4.484 12.013 1.00 55.31 H new ATOM 0 HH22 ARG A 5 -7.111 4.200 13.447 1.00 55.31 H new ATOM 87 N ARG A 6 -6.705 3.233 4.735 1.00 54.52 N ATOM 88 CA ARG A 6 -7.717 2.713 3.807 1.00 52.40 C ATOM 89 C ARG A 6 -7.776 1.177 3.947 1.00 22.11 C ATOM 90 O ARG A 6 -6.780 0.557 4.320 1.00 43.44 O ATOM 91 CB ARG A 6 -7.356 3.146 2.341 1.00 13.33 C ATOM 92 CG ARG A 6 -8.571 3.375 1.415 1.00 45.13 C ATOM 93 CD ARG A 6 -9.424 4.579 1.867 1.00 11.12 C ATOM 94 NE ARG A 6 -10.502 4.896 0.914 1.00 52.34 N ATOM 95 CZ ARG A 6 -10.825 6.107 0.497 1.00 11.44 C ATOM 96 NH1 ARG A 6 -10.174 7.161 0.901 1.00 62.31 N ATOM 97 NH2 ARG A 6 -11.794 6.242 -0.338 1.00 24.04 N ATOM 0 H ARG A 6 -5.813 2.742 4.676 1.00 54.52 H new ATOM 0 HA ARG A 6 -8.700 3.121 4.042 1.00 52.40 H new ATOM 0 HB2 ARG A 6 -6.770 4.064 2.382 1.00 13.33 H new ATOM 0 HB3 ARG A 6 -6.718 2.381 1.898 1.00 13.33 H new ATOM 0 HG2 ARG A 6 -8.223 3.540 0.395 1.00 45.13 H new ATOM 0 HG3 ARG A 6 -9.190 2.478 1.400 1.00 45.13 H new ATOM 0 HD2 ARG A 6 -9.858 4.366 2.844 1.00 11.12 H new ATOM 0 HD3 ARG A 6 -8.781 5.451 1.987 1.00 11.12 H new ATOM 0 HE ARG A 6 -11.044 4.115 0.545 1.00 52.34 H new ATOM 0 HH11 ARG A 6 -9.396 7.061 1.553 1.00 62.31 H new ATOM 0 HH12 ARG A 6 -10.442 8.086 0.565 1.00 62.31 H new ATOM 0 HH21 ARG A 6 -12.301 5.421 -0.668 1.00 24.04 H new ATOM 0 HH22 ARG A 6 -12.056 7.170 -0.670 1.00 24.04 H new ATOM 111 N SER A 7 -8.939 0.573 3.675 1.00 51.31 N ATOM 112 CA SER A 7 -9.116 -0.901 3.725 1.00 4.33 C ATOM 113 C SER A 7 -10.130 -1.367 2.670 1.00 73.53 C ATOM 114 O SER A 7 -10.899 -0.556 2.134 1.00 34.05 O ATOM 115 CB SER A 7 -9.560 -1.358 5.136 1.00 44.53 C ATOM 116 OG SER A 7 -10.842 -0.858 5.480 1.00 25.52 O ATOM 0 H SER A 7 -9.785 1.080 3.415 1.00 51.31 H new ATOM 0 HA SER A 7 -8.152 -1.359 3.503 1.00 4.33 H new ATOM 0 HB2 SER A 7 -9.573 -2.447 5.176 1.00 44.53 H new ATOM 0 HB3 SER A 7 -8.830 -1.021 5.872 1.00 44.53 H new ATOM 0 HG SER A 7 -11.085 -1.171 6.376 1.00 25.52 H new ATOM 122 N VAL A 8 -10.128 -2.679 2.372 1.00 31.42 N ATOM 123 CA VAL A 8 -11.042 -3.277 1.375 1.00 41.35 C ATOM 124 C VAL A 8 -11.359 -4.753 1.725 1.00 1.52 C ATOM 125 O VAL A 8 -10.523 -5.452 2.305 1.00 11.44 O ATOM 126 CB VAL A 8 -10.426 -3.180 -0.069 1.00 52.04 C ATOM 127 CG1 VAL A 8 -9.216 -4.145 -0.251 1.00 65.25 C ATOM 128 CG2 VAL A 8 -11.508 -3.388 -1.160 1.00 64.30 C ATOM 0 H VAL A 8 -9.499 -3.352 2.810 1.00 31.42 H new ATOM 0 HA VAL A 8 -11.975 -2.713 1.396 1.00 41.35 H new ATOM 0 HB VAL A 8 -10.038 -2.169 -0.190 1.00 52.04 H new ATOM 0 HG11 VAL A 8 -8.821 -4.046 -1.262 1.00 65.25 H new ATOM 0 HG12 VAL A 8 -8.438 -3.893 0.469 1.00 65.25 H new ATOM 0 HG13 VAL A 8 -9.542 -5.172 -0.088 1.00 65.25 H new ATOM 0 HG21 VAL A 8 -11.049 -3.315 -2.146 1.00 64.30 H new ATOM 0 HG22 VAL A 8 -11.959 -4.373 -1.042 1.00 64.30 H new ATOM 0 HG23 VAL A 8 -12.277 -2.622 -1.060 1.00 64.30 H new ATOM 138 N GLU A 9 -12.569 -5.212 1.359 1.00 41.22 N ATOM 139 CA GLU A 9 -12.988 -6.613 1.548 1.00 20.41 C ATOM 140 C GLU A 9 -12.563 -7.466 0.333 1.00 40.01 C ATOM 141 O GLU A 9 -13.121 -7.331 -0.760 1.00 33.23 O ATOM 142 CB GLU A 9 -14.524 -6.695 1.749 1.00 25.54 C ATOM 143 CG GLU A 9 -15.055 -8.117 2.021 1.00 35.14 C ATOM 144 CD GLU A 9 -16.586 -8.171 2.176 1.00 11.32 C ATOM 145 OE1 GLU A 9 -17.092 -7.850 3.276 1.00 22.44 O ATOM 146 OE2 GLU A 9 -17.286 -8.518 1.200 1.00 50.34 O ATOM 0 H GLU A 9 -13.282 -4.625 0.925 1.00 41.22 H new ATOM 0 HA GLU A 9 -12.499 -7.005 2.440 1.00 20.41 H new ATOM 0 HB2 GLU A 9 -14.804 -6.050 2.582 1.00 25.54 H new ATOM 0 HB3 GLU A 9 -15.016 -6.300 0.860 1.00 25.54 H new ATOM 0 HG2 GLU A 9 -14.755 -8.773 1.204 1.00 35.14 H new ATOM 0 HG3 GLU A 9 -14.590 -8.505 2.927 1.00 35.14 H new ATOM 153 N VAL A 10 -11.573 -8.337 0.545 1.00 74.12 N ATOM 154 CA VAL A 10 -11.054 -9.268 -0.472 1.00 35.11 C ATOM 155 C VAL A 10 -11.726 -10.646 -0.303 1.00 62.05 C ATOM 156 O VAL A 10 -11.762 -11.196 0.801 1.00 75.32 O ATOM 157 CB VAL A 10 -9.501 -9.404 -0.337 1.00 41.22 C ATOM 158 CG1 VAL A 10 -8.923 -10.395 -1.373 1.00 62.01 C ATOM 159 CG2 VAL A 10 -8.833 -8.017 -0.460 1.00 13.35 C ATOM 0 H VAL A 10 -11.098 -8.420 1.444 1.00 74.12 H new ATOM 0 HA VAL A 10 -11.283 -8.878 -1.464 1.00 35.11 H new ATOM 0 HB VAL A 10 -9.281 -9.810 0.650 1.00 41.22 H new ATOM 0 HG11 VAL A 10 -7.842 -10.463 -1.248 1.00 62.01 H new ATOM 0 HG12 VAL A 10 -9.368 -11.379 -1.223 1.00 62.01 H new ATOM 0 HG13 VAL A 10 -9.151 -10.043 -2.379 1.00 62.01 H new ATOM 0 HG21 VAL A 10 -7.752 -8.124 -0.365 1.00 13.35 H new ATOM 0 HG22 VAL A 10 -9.070 -7.584 -1.432 1.00 13.35 H new ATOM 0 HG23 VAL A 10 -9.204 -7.363 0.329 1.00 13.35 H new ATOM 169 N ALA A 11 -12.253 -11.205 -1.401 1.00 73.05 N ATOM 170 CA ALA A 11 -12.943 -12.516 -1.396 1.00 10.44 C ATOM 171 C ALA A 11 -11.975 -13.729 -1.514 1.00 20.32 C ATOM 172 O ALA A 11 -12.373 -14.820 -1.946 1.00 63.02 O ATOM 173 CB ALA A 11 -13.971 -12.509 -2.520 1.00 24.51 C ATOM 0 H ALA A 11 -12.216 -10.766 -2.321 1.00 73.05 H new ATOM 0 HA ALA A 11 -13.431 -12.646 -0.430 1.00 10.44 H new ATOM 0 HB1 ALA A 11 -14.495 -13.464 -2.540 1.00 24.51 H new ATOM 0 HB2 ALA A 11 -14.688 -11.705 -2.352 1.00 24.51 H new ATOM 0 HB3 ALA A 11 -13.467 -12.352 -3.473 1.00 24.51 H new ATOM 179 N ALA A 12 -10.723 -13.547 -1.072 1.00 71.14 N ATOM 180 CA ALA A 12 -9.717 -14.625 -1.002 1.00 11.35 C ATOM 181 C ALA A 12 -9.029 -14.629 0.385 1.00 14.13 C ATOM 182 O ALA A 12 -8.933 -13.571 1.022 1.00 52.11 O ATOM 183 CB ALA A 12 -8.673 -14.459 -2.116 1.00 11.21 C ATOM 0 H ALA A 12 -10.374 -12.644 -0.750 1.00 71.14 H new ATOM 0 HA ALA A 12 -10.223 -15.580 -1.143 1.00 11.35 H new ATOM 0 HB1 ALA A 12 -7.939 -15.262 -2.049 1.00 11.21 H new ATOM 0 HB2 ALA A 12 -9.167 -14.499 -3.087 1.00 11.21 H new ATOM 0 HB3 ALA A 12 -8.171 -13.498 -2.004 1.00 11.21 H new ATOM 189 N PRO A 13 -8.561 -15.825 0.878 1.00 31.02 N ATOM 190 CA PRO A 13 -7.735 -15.931 2.118 1.00 72.11 C ATOM 191 C PRO A 13 -6.438 -15.077 2.058 1.00 54.10 C ATOM 192 O PRO A 13 -5.878 -14.847 0.975 1.00 22.23 O ATOM 193 CB PRO A 13 -7.404 -17.453 2.209 1.00 64.43 C ATOM 194 CG PRO A 13 -7.685 -17.996 0.838 1.00 43.20 C ATOM 195 CD PRO A 13 -8.818 -17.168 0.290 1.00 43.21 C ATOM 0 HA PRO A 13 -8.266 -15.549 2.990 1.00 72.11 H new ATOM 0 HB2 PRO A 13 -6.364 -17.614 2.491 1.00 64.43 H new ATOM 0 HB3 PRO A 13 -8.019 -17.946 2.962 1.00 64.43 H new ATOM 0 HG2 PRO A 13 -6.804 -17.923 0.201 1.00 43.20 H new ATOM 0 HG3 PRO A 13 -7.958 -19.050 0.884 1.00 43.20 H new ATOM 0 HD2 PRO A 13 -8.809 -17.141 -0.800 1.00 43.21 H new ATOM 0 HD3 PRO A 13 -9.789 -17.562 0.591 1.00 43.21 H new ATOM 203 N ALA A 14 -5.981 -14.631 3.249 1.00 43.04 N ATOM 204 CA ALA A 14 -4.777 -13.776 3.430 1.00 54.51 C ATOM 205 C ALA A 14 -3.504 -14.311 2.726 1.00 10.04 C ATOM 206 O ALA A 14 -2.649 -13.522 2.353 1.00 5.42 O ATOM 207 CB ALA A 14 -4.508 -13.570 4.934 1.00 25.22 C ATOM 0 H ALA A 14 -6.444 -14.857 4.130 1.00 43.04 H new ATOM 0 HA ALA A 14 -5.003 -12.825 2.947 1.00 54.51 H new ATOM 0 HB1 ALA A 14 -3.626 -12.943 5.063 1.00 25.22 H new ATOM 0 HB2 ALA A 14 -5.368 -13.084 5.394 1.00 25.22 H new ATOM 0 HB3 ALA A 14 -4.340 -14.536 5.409 1.00 25.22 H new ATOM 213 N ALA A 15 -3.393 -15.644 2.562 1.00 54.34 N ATOM 214 CA ALA A 15 -2.238 -16.285 1.879 1.00 31.33 C ATOM 215 C ALA A 15 -2.145 -15.909 0.372 1.00 34.25 C ATOM 216 O ALA A 15 -1.072 -15.507 -0.104 1.00 3.00 O ATOM 217 CB ALA A 15 -2.302 -17.811 2.046 1.00 75.04 C ATOM 0 H ALA A 15 -4.093 -16.308 2.894 1.00 54.34 H new ATOM 0 HA ALA A 15 -1.335 -15.904 2.356 1.00 31.33 H new ATOM 0 HB1 ALA A 15 -1.451 -18.268 1.541 1.00 75.04 H new ATOM 0 HB2 ALA A 15 -2.273 -18.063 3.106 1.00 75.04 H new ATOM 0 HB3 ALA A 15 -3.227 -18.186 1.609 1.00 75.04 H new ATOM 223 N ASP A 16 -3.269 -16.064 -0.371 1.00 20.33 N ATOM 224 CA ASP A 16 -3.394 -15.612 -1.789 1.00 1.45 C ATOM 225 C ASP A 16 -2.987 -14.130 -1.960 1.00 64.11 C ATOM 226 O ASP A 16 -2.246 -13.765 -2.882 1.00 71.00 O ATOM 227 CB ASP A 16 -4.863 -15.786 -2.274 1.00 5.34 C ATOM 228 CG ASP A 16 -5.279 -17.249 -2.476 1.00 14.32 C ATOM 229 OD1 ASP A 16 -5.191 -18.043 -1.516 1.00 53.13 O ATOM 230 OD2 ASP A 16 -5.711 -17.605 -3.597 1.00 10.33 O ATOM 0 H ASP A 16 -4.115 -16.504 -0.010 1.00 20.33 H new ATOM 0 HA ASP A 16 -2.720 -16.227 -2.385 1.00 1.45 H new ATOM 0 HB2 ASP A 16 -5.533 -15.325 -1.548 1.00 5.34 H new ATOM 0 HB3 ASP A 16 -4.992 -15.248 -3.213 1.00 5.34 H new ATOM 235 N VAL A 17 -3.479 -13.302 -1.036 1.00 34.44 N ATOM 236 CA VAL A 17 -3.268 -11.847 -1.050 1.00 43.32 C ATOM 237 C VAL A 17 -1.816 -11.476 -0.648 1.00 71.32 C ATOM 238 O VAL A 17 -1.255 -10.501 -1.148 1.00 11.10 O ATOM 239 CB VAL A 17 -4.280 -11.123 -0.095 1.00 24.41 C ATOM 240 CG1 VAL A 17 -4.230 -9.595 -0.312 1.00 55.43 C ATOM 241 CG2 VAL A 17 -5.720 -11.674 -0.266 1.00 32.15 C ATOM 0 H VAL A 17 -4.041 -13.623 -0.248 1.00 34.44 H new ATOM 0 HA VAL A 17 -3.439 -11.510 -2.072 1.00 43.32 H new ATOM 0 HB VAL A 17 -3.980 -11.330 0.932 1.00 24.41 H new ATOM 0 HG11 VAL A 17 -4.938 -9.109 0.359 1.00 55.43 H new ATOM 0 HG12 VAL A 17 -3.224 -9.231 -0.103 1.00 55.43 H new ATOM 0 HG13 VAL A 17 -4.492 -9.365 -1.345 1.00 55.43 H new ATOM 0 HG21 VAL A 17 -6.393 -11.149 0.411 1.00 32.15 H new ATOM 0 HG22 VAL A 17 -6.048 -11.522 -1.294 1.00 32.15 H new ATOM 0 HG23 VAL A 17 -5.732 -12.739 -0.036 1.00 32.15 H new ATOM 251 N TRP A 18 -1.227 -12.257 0.272 1.00 23.42 N ATOM 252 CA TRP A 18 0.143 -12.018 0.783 1.00 63.11 C ATOM 253 C TRP A 18 1.216 -12.395 -0.270 1.00 21.32 C ATOM 254 O TRP A 18 2.309 -11.834 -0.275 1.00 52.55 O ATOM 255 CB TRP A 18 0.383 -12.776 2.114 1.00 23.20 C ATOM 256 CG TRP A 18 1.706 -12.442 2.766 1.00 72.13 C ATOM 257 CD1 TRP A 18 2.760 -13.280 2.988 1.00 4.51 C ATOM 258 CD2 TRP A 18 2.125 -11.143 3.233 1.00 63.23 C ATOM 259 NE1 TRP A 18 3.786 -12.596 3.577 1.00 62.44 N ATOM 260 CE2 TRP A 18 3.427 -11.284 3.735 1.00 32.03 C ATOM 261 CE3 TRP A 18 1.514 -9.881 3.281 1.00 62.55 C ATOM 262 CZ2 TRP A 18 4.141 -10.215 4.277 1.00 20.22 C ATOM 263 CZ3 TRP A 18 2.223 -8.816 3.812 1.00 32.52 C ATOM 264 CH2 TRP A 18 3.530 -8.991 4.305 1.00 22.41 C ATOM 0 H TRP A 18 -1.681 -13.071 0.685 1.00 23.42 H new ATOM 0 HA TRP A 18 0.236 -10.950 0.981 1.00 63.11 H new ATOM 0 HB2 TRP A 18 -0.425 -12.542 2.808 1.00 23.20 H new ATOM 0 HB3 TRP A 18 0.340 -13.849 1.925 1.00 23.20 H new ATOM 0 HD1 TRP A 18 2.780 -14.330 2.735 1.00 4.51 H new ATOM 0 HE1 TRP A 18 4.680 -13.000 3.856 1.00 62.44 H new ATOM 0 HE3 TRP A 18 0.509 -9.742 2.911 1.00 62.55 H new ATOM 0 HZ2 TRP A 18 5.141 -10.349 4.661 1.00 20.22 H new ATOM 0 HZ3 TRP A 18 1.767 -7.838 3.848 1.00 32.52 H new ATOM 0 HH2 TRP A 18 4.060 -8.143 4.713 1.00 22.41 H new ATOM 275 N THR A 19 0.901 -13.366 -1.144 1.00 12.42 N ATOM 276 CA THR A 19 1.722 -13.661 -2.353 1.00 21.31 C ATOM 277 C THR A 19 1.789 -12.419 -3.295 1.00 12.25 C ATOM 278 O THR A 19 2.747 -12.225 -4.037 1.00 42.31 O ATOM 279 CB THR A 19 1.123 -14.882 -3.143 1.00 50.20 C ATOM 280 OG1 THR A 19 0.945 -16.002 -2.254 1.00 74.25 O ATOM 281 CG2 THR A 19 2.008 -15.326 -4.328 1.00 42.41 C ATOM 0 H THR A 19 0.083 -13.967 -1.044 1.00 12.42 H new ATOM 0 HA THR A 19 2.730 -13.908 -2.018 1.00 21.31 H new ATOM 0 HB THR A 19 0.167 -14.550 -3.548 1.00 50.20 H new ATOM 0 HG1 THR A 19 0.210 -15.814 -1.634 1.00 74.25 H new ATOM 0 HG21 THR A 19 1.542 -16.172 -4.833 1.00 42.41 H new ATOM 0 HG22 THR A 19 2.118 -14.499 -5.030 1.00 42.41 H new ATOM 0 HG23 THR A 19 2.990 -15.621 -3.958 1.00 42.41 H new ATOM 289 N LEU A 20 0.748 -11.584 -3.215 1.00 42.23 N ATOM 290 CA LEU A 20 0.543 -10.424 -4.099 1.00 22.43 C ATOM 291 C LEU A 20 1.164 -9.102 -3.532 1.00 4.45 C ATOM 292 O LEU A 20 1.764 -8.326 -4.280 1.00 3.32 O ATOM 293 CB LEU A 20 -0.984 -10.284 -4.300 1.00 33.32 C ATOM 294 CG LEU A 20 -1.456 -9.175 -5.265 1.00 61.41 C ATOM 295 CD1 LEU A 20 -0.956 -9.432 -6.699 1.00 2.43 C ATOM 296 CD2 LEU A 20 -2.985 -9.026 -5.214 1.00 55.40 C ATOM 0 H LEU A 20 0.008 -11.695 -2.522 1.00 42.23 H new ATOM 0 HA LEU A 20 1.057 -10.591 -5.046 1.00 22.43 H new ATOM 0 HB2 LEU A 20 -1.369 -11.237 -4.663 1.00 33.32 H new ATOM 0 HB3 LEU A 20 -1.441 -10.105 -3.327 1.00 33.32 H new ATOM 0 HG LEU A 20 -1.020 -8.231 -4.938 1.00 61.41 H new ATOM 0 HD11 LEU A 20 -1.305 -8.634 -7.354 1.00 2.43 H new ATOM 0 HD12 LEU A 20 0.134 -9.457 -6.705 1.00 2.43 H new ATOM 0 HD13 LEU A 20 -1.343 -10.388 -7.053 1.00 2.43 H new ATOM 0 HD21 LEU A 20 -3.297 -8.240 -5.901 1.00 55.40 H new ATOM 0 HD22 LEU A 20 -3.452 -9.967 -5.504 1.00 55.40 H new ATOM 0 HD23 LEU A 20 -3.292 -8.765 -4.201 1.00 55.40 H new ATOM 308 N VAL A 21 0.969 -8.835 -2.219 1.00 70.52 N ATOM 309 CA VAL A 21 1.484 -7.591 -1.546 1.00 2.33 C ATOM 310 C VAL A 21 2.773 -7.825 -0.708 1.00 21.33 C ATOM 311 O VAL A 21 3.509 -6.873 -0.435 1.00 73.22 O ATOM 312 CB VAL A 21 0.386 -6.917 -0.629 1.00 62.24 C ATOM 313 CG1 VAL A 21 -0.814 -6.419 -1.473 1.00 62.12 C ATOM 314 CG2 VAL A 21 -0.080 -7.862 0.517 1.00 72.32 C ATOM 0 H VAL A 21 0.459 -9.458 -1.593 1.00 70.52 H new ATOM 0 HA VAL A 21 1.737 -6.919 -2.366 1.00 2.33 H new ATOM 0 HB VAL A 21 0.848 -6.050 -0.156 1.00 62.24 H new ATOM 0 HG11 VAL A 21 -1.554 -5.960 -0.818 1.00 62.12 H new ATOM 0 HG12 VAL A 21 -0.468 -5.684 -2.200 1.00 62.12 H new ATOM 0 HG13 VAL A 21 -1.266 -7.262 -1.996 1.00 62.12 H new ATOM 0 HG21 VAL A 21 -0.834 -7.357 1.121 1.00 72.32 H new ATOM 0 HG22 VAL A 21 -0.506 -8.770 0.090 1.00 72.32 H new ATOM 0 HG23 VAL A 21 0.773 -8.122 1.144 1.00 72.32 H new ATOM 324 N GLY A 22 3.022 -9.087 -0.301 1.00 55.10 N ATOM 325 CA GLY A 22 4.175 -9.448 0.559 1.00 0.52 C ATOM 326 C GLY A 22 5.535 -9.275 -0.110 1.00 63.15 C ATOM 327 O GLY A 22 6.554 -9.051 0.564 1.00 75.04 O ATOM 0 H GLY A 22 2.436 -9.882 -0.556 1.00 55.10 H new ATOM 0 HA2 GLY A 22 4.146 -8.836 1.461 1.00 0.52 H new ATOM 0 HA3 GLY A 22 4.067 -10.486 0.874 1.00 0.52 H new ATOM 331 N ASP A 23 5.550 -9.417 -1.440 1.00 1.24 N ATOM 332 CA ASP A 23 6.722 -9.104 -2.264 1.00 14.35 C ATOM 333 C ASP A 23 6.662 -7.600 -2.611 1.00 14.11 C ATOM 334 O ASP A 23 5.662 -7.140 -3.189 1.00 11.24 O ATOM 335 CB ASP A 23 6.729 -9.961 -3.560 1.00 13.30 C ATOM 336 CG ASP A 23 6.685 -11.477 -3.314 1.00 41.32 C ATOM 337 OD1 ASP A 23 5.617 -12.002 -2.925 1.00 75.24 O ATOM 338 OD2 ASP A 23 7.715 -12.161 -3.505 1.00 31.41 O ATOM 0 H ASP A 23 4.749 -9.752 -1.975 1.00 1.24 H new ATOM 0 HA ASP A 23 7.637 -9.333 -1.718 1.00 14.35 H new ATOM 0 HB2 ASP A 23 5.873 -9.679 -4.173 1.00 13.30 H new ATOM 0 HB3 ASP A 23 7.625 -9.723 -4.134 1.00 13.30 H new ATOM 343 N PHE A 24 7.714 -6.836 -2.253 1.00 55.32 N ATOM 344 CA PHE A 24 7.781 -5.372 -2.519 1.00 12.54 C ATOM 345 C PHE A 24 7.722 -5.089 -4.049 1.00 22.45 C ATOM 346 O PHE A 24 7.203 -4.065 -4.484 1.00 13.54 O ATOM 347 CB PHE A 24 9.077 -4.781 -1.873 1.00 54.11 C ATOM 348 CG PHE A 24 9.106 -3.260 -1.667 1.00 55.11 C ATOM 349 CD1 PHE A 24 7.975 -2.574 -1.217 1.00 43.32 C ATOM 350 CD2 PHE A 24 10.276 -2.517 -1.883 1.00 42.44 C ATOM 351 CE1 PHE A 24 8.008 -1.206 -1.004 1.00 11.32 C ATOM 352 CE2 PHE A 24 10.302 -1.148 -1.671 1.00 63.43 C ATOM 353 CZ PHE A 24 9.168 -0.493 -1.229 1.00 2.14 C ATOM 0 H PHE A 24 8.537 -7.205 -1.776 1.00 55.32 H new ATOM 0 HA PHE A 24 6.918 -4.882 -2.067 1.00 12.54 H new ATOM 0 HB2 PHE A 24 9.225 -5.259 -0.905 1.00 54.11 H new ATOM 0 HB3 PHE A 24 9.926 -5.057 -2.498 1.00 54.11 H new ATOM 0 HD1 PHE A 24 7.061 -3.119 -1.032 1.00 43.32 H new ATOM 0 HD2 PHE A 24 11.170 -3.020 -2.220 1.00 42.44 H new ATOM 0 HE1 PHE A 24 7.121 -0.694 -0.660 1.00 11.32 H new ATOM 0 HE2 PHE A 24 11.210 -0.592 -1.851 1.00 63.43 H new ATOM 0 HZ PHE A 24 9.190 0.574 -1.060 1.00 2.14 H new ATOM 363 N SER A 25 8.196 -6.062 -4.847 1.00 72.14 N ATOM 364 CA SER A 25 8.200 -5.992 -6.327 1.00 61.51 C ATOM 365 C SER A 25 6.811 -6.272 -6.962 1.00 13.30 C ATOM 366 O SER A 25 6.518 -5.781 -8.056 1.00 31.24 O ATOM 367 CB SER A 25 9.213 -7.020 -6.873 1.00 10.32 C ATOM 368 OG SER A 25 8.868 -8.341 -6.479 1.00 1.41 O ATOM 0 H SER A 25 8.592 -6.929 -4.484 1.00 72.14 H new ATOM 0 HA SER A 25 8.475 -4.972 -6.596 1.00 61.51 H new ATOM 0 HB2 SER A 25 9.246 -6.959 -7.961 1.00 10.32 H new ATOM 0 HB3 SER A 25 10.212 -6.778 -6.510 1.00 10.32 H new ATOM 0 HG SER A 25 9.525 -8.972 -6.840 1.00 1.41 H new ATOM 374 N ALA A 26 5.927 -6.992 -6.240 1.00 60.14 N ATOM 375 CA ALA A 26 4.741 -7.667 -6.845 1.00 22.22 C ATOM 376 C ALA A 26 3.546 -6.713 -7.022 1.00 31.42 C ATOM 377 O ALA A 26 2.443 -7.146 -7.379 1.00 4.33 O ATOM 378 CB ALA A 26 4.336 -8.886 -6.006 1.00 23.43 C ATOM 0 H ALA A 26 6.006 -7.126 -5.232 1.00 60.14 H new ATOM 0 HA ALA A 26 5.034 -7.997 -7.842 1.00 22.22 H new ATOM 0 HB1 ALA A 26 3.470 -9.368 -6.459 1.00 23.43 H new ATOM 0 HB2 ALA A 26 5.165 -9.592 -5.967 1.00 23.43 H new ATOM 0 HB3 ALA A 26 4.085 -8.565 -4.995 1.00 23.43 H new ATOM 384 N ILE A 27 3.785 -5.406 -6.803 1.00 41.34 N ATOM 385 CA ILE A 27 2.791 -4.355 -7.048 1.00 13.35 C ATOM 386 C ILE A 27 2.396 -4.282 -8.552 1.00 22.24 C ATOM 387 O ILE A 27 1.274 -3.886 -8.892 1.00 73.54 O ATOM 388 CB ILE A 27 3.294 -2.957 -6.528 1.00 30.53 C ATOM 389 CG1 ILE A 27 2.107 -1.950 -6.498 1.00 3.35 C ATOM 390 CG2 ILE A 27 4.474 -2.430 -7.377 1.00 25.22 C ATOM 391 CD1 ILE A 27 2.409 -0.567 -5.957 1.00 14.50 C ATOM 0 H ILE A 27 4.675 -5.053 -6.451 1.00 41.34 H new ATOM 0 HA ILE A 27 1.896 -4.618 -6.484 1.00 13.35 H new ATOM 0 HB ILE A 27 3.671 -3.075 -5.512 1.00 30.53 H new ATOM 0 HG12 ILE A 27 1.724 -1.843 -7.513 1.00 3.35 H new ATOM 0 HG13 ILE A 27 1.306 -2.384 -5.899 1.00 3.35 H new ATOM 0 HG21 ILE A 27 4.797 -1.463 -6.991 1.00 25.22 H new ATOM 0 HG22 ILE A 27 5.303 -3.136 -7.326 1.00 25.22 H new ATOM 0 HG23 ILE A 27 4.155 -2.319 -8.413 1.00 25.22 H new ATOM 0 HD11 ILE A 27 1.505 0.041 -5.987 1.00 14.50 H new ATOM 0 HD12 ILE A 27 2.758 -0.647 -4.927 1.00 14.50 H new ATOM 0 HD13 ILE A 27 3.182 -0.099 -6.567 1.00 14.50 H new ATOM 403 N HIS A 28 3.315 -4.742 -9.440 1.00 1.23 N ATOM 404 CA HIS A 28 3.082 -4.777 -10.900 1.00 31.01 C ATOM 405 C HIS A 28 2.058 -5.876 -11.318 1.00 31.52 C ATOM 406 O HIS A 28 1.775 -6.045 -12.506 1.00 2.31 O ATOM 407 CB HIS A 28 4.432 -4.929 -11.666 1.00 50.31 C ATOM 408 CG HIS A 28 5.078 -6.292 -11.612 1.00 63.42 C ATOM 409 ND1 HIS A 28 6.054 -6.641 -10.706 1.00 13.51 N ATOM 410 CD2 HIS A 28 4.888 -7.384 -12.382 1.00 11.22 C ATOM 411 CE1 HIS A 28 6.430 -7.883 -10.923 1.00 63.14 C ATOM 412 NE2 HIS A 28 5.740 -8.360 -11.936 1.00 13.43 N ATOM 0 H HIS A 28 4.231 -5.096 -9.163 1.00 1.23 H new ATOM 0 HA HIS A 28 2.633 -3.824 -11.179 1.00 31.01 H new ATOM 0 HB2 HIS A 28 4.264 -4.671 -12.711 1.00 50.31 H new ATOM 0 HB3 HIS A 28 5.137 -4.200 -11.267 1.00 50.31 H new ATOM 0 HD1 HIS A 28 6.428 -6.031 -9.979 1.00 13.51 H new ATOM 0 HD2 HIS A 28 4.190 -7.473 -13.202 1.00 11.22 H new ATOM 0 HE1 HIS A 28 7.180 -8.421 -10.363 1.00 63.14 H new ATOM 421 N ARG A 29 1.528 -6.629 -10.330 1.00 25.53 N ATOM 422 CA ARG A 29 0.536 -7.704 -10.558 1.00 24.42 C ATOM 423 C ARG A 29 -0.915 -7.274 -10.186 1.00 15.41 C ATOM 424 O ARG A 29 -1.871 -7.930 -10.612 1.00 14.53 O ATOM 425 CB ARG A 29 0.940 -8.965 -9.749 1.00 21.55 C ATOM 426 CG ARG A 29 2.360 -9.495 -10.038 1.00 4.10 C ATOM 427 CD ARG A 29 2.697 -10.761 -9.226 1.00 5.21 C ATOM 428 NE ARG A 29 1.781 -11.873 -9.529 1.00 0.11 N ATOM 429 CZ ARG A 29 1.838 -13.081 -9.013 1.00 23.03 C ATOM 430 NH1 ARG A 29 2.719 -13.405 -8.111 1.00 12.01 N ATOM 431 NH2 ARG A 29 0.982 -13.966 -9.406 1.00 2.11 N ATOM 0 H ARG A 29 1.777 -6.508 -9.348 1.00 25.53 H new ATOM 0 HA ARG A 29 0.537 -7.925 -11.625 1.00 24.42 H new ATOM 0 HB2 ARG A 29 0.862 -8.737 -8.686 1.00 21.55 H new ATOM 0 HB3 ARG A 29 0.222 -9.758 -9.958 1.00 21.55 H new ATOM 0 HG2 ARG A 29 2.452 -9.715 -11.102 1.00 4.10 H new ATOM 0 HG3 ARG A 29 3.088 -8.717 -9.809 1.00 4.10 H new ATOM 0 HD2 ARG A 29 3.721 -11.067 -9.440 1.00 5.21 H new ATOM 0 HD3 ARG A 29 2.649 -10.532 -8.161 1.00 5.21 H new ATOM 0 HE ARG A 29 1.035 -11.690 -10.200 1.00 0.11 H new ATOM 0 HH11 ARG A 29 3.393 -12.712 -7.784 1.00 12.01 H new ATOM 0 HH12 ARG A 29 2.736 -14.352 -7.731 1.00 12.01 H new ATOM 0 HH21 ARG A 29 0.280 -13.721 -10.104 1.00 2.11 H new ATOM 0 HH22 ARG A 29 1.009 -14.909 -9.018 1.00 2.11 H new ATOM 445 N TRP A 30 -1.088 -6.190 -9.378 1.00 61.23 N ATOM 446 CA TRP A 30 -2.448 -5.755 -8.916 1.00 43.31 C ATOM 447 C TRP A 30 -2.773 -4.272 -9.195 1.00 62.53 C ATOM 448 O TRP A 30 -3.905 -3.958 -9.596 1.00 62.03 O ATOM 449 CB TRP A 30 -2.661 -6.055 -7.405 1.00 0.11 C ATOM 450 CG TRP A 30 -1.645 -5.462 -6.442 1.00 74.14 C ATOM 451 CD1 TRP A 30 -0.388 -5.925 -6.193 1.00 20.32 C ATOM 452 CD2 TRP A 30 -1.825 -4.332 -5.565 1.00 1.25 C ATOM 453 NE1 TRP A 30 0.212 -5.174 -5.222 1.00 13.11 N ATOM 454 CE2 TRP A 30 -0.639 -4.185 -4.828 1.00 30.21 C ATOM 455 CE3 TRP A 30 -2.872 -3.433 -5.338 1.00 54.45 C ATOM 456 CZ2 TRP A 30 -0.466 -3.185 -3.879 1.00 14.24 C ATOM 457 CZ3 TRP A 30 -2.700 -2.438 -4.393 1.00 73.24 C ATOM 458 CH2 TRP A 30 -1.502 -2.322 -3.674 1.00 74.42 C ATOM 0 H TRP A 30 -0.323 -5.609 -9.036 1.00 61.23 H new ATOM 0 HA TRP A 30 -3.140 -6.347 -9.514 1.00 43.31 H new ATOM 0 HB2 TRP A 30 -3.650 -5.693 -7.122 1.00 0.11 H new ATOM 0 HB3 TRP A 30 -2.667 -7.137 -7.270 1.00 0.11 H new ATOM 0 HD1 TRP A 30 0.069 -6.766 -6.692 1.00 20.32 H new ATOM 0 HE1 TRP A 30 1.149 -5.329 -4.850 1.00 13.11 H new ATOM 0 HE3 TRP A 30 -3.797 -3.514 -5.890 1.00 54.45 H new ATOM 0 HZ2 TRP A 30 0.456 -3.094 -3.324 1.00 14.24 H new ATOM 0 HZ3 TRP A 30 -3.502 -1.739 -4.206 1.00 73.24 H new ATOM 0 HH2 TRP A 30 -1.397 -1.534 -2.943 1.00 74.42 H new ATOM 469 N HIS A 31 -1.807 -3.359 -8.968 1.00 4.34 N ATOM 470 CA HIS A 31 -2.086 -1.906 -8.980 1.00 72.11 C ATOM 471 C HIS A 31 -2.325 -1.412 -10.445 1.00 4.34 C ATOM 472 O HIS A 31 -1.454 -1.575 -11.282 1.00 63.45 O ATOM 473 CB HIS A 31 -0.929 -1.124 -8.306 1.00 1.43 C ATOM 474 CG HIS A 31 -1.312 0.265 -7.860 1.00 10.51 C ATOM 475 ND1 HIS A 31 -1.181 1.360 -8.683 1.00 52.51 N ATOM 476 CD2 HIS A 31 -1.818 0.673 -6.668 1.00 22.12 C ATOM 477 CE1 HIS A 31 -1.612 2.392 -7.977 1.00 51.13 C ATOM 478 NE2 HIS A 31 -2.007 2.023 -6.755 1.00 1.42 N ATOM 0 H HIS A 31 -0.834 -3.598 -8.776 1.00 4.34 H new ATOM 0 HA HIS A 31 -2.994 -1.718 -8.407 1.00 72.11 H new ATOM 0 HB2 HIS A 31 -0.576 -1.688 -7.443 1.00 1.43 H new ATOM 0 HB3 HIS A 31 -0.095 -1.054 -9.004 1.00 1.43 H new ATOM 0 HD2 HIS A 31 -2.031 0.048 -5.813 1.00 22.12 H new ATOM 0 HE1 HIS A 31 -1.641 3.408 -8.343 1.00 51.13 H new ATOM 0 HE2 HIS A 31 -2.379 2.633 -6.027 1.00 1.42 H new ATOM 486 N PRO A 32 -3.522 -0.837 -10.792 1.00 33.34 N ATOM 487 CA PRO A 32 -3.839 -0.432 -12.198 1.00 31.05 C ATOM 488 C PRO A 32 -2.911 0.672 -12.791 1.00 71.13 C ATOM 489 O PRO A 32 -2.798 0.798 -14.016 1.00 21.33 O ATOM 490 CB PRO A 32 -5.315 0.058 -12.114 1.00 40.02 C ATOM 491 CG PRO A 32 -5.846 -0.545 -10.846 1.00 43.21 C ATOM 492 CD PRO A 32 -4.673 -0.582 -9.889 1.00 32.21 C ATOM 0 HA PRO A 32 -3.682 -1.268 -12.879 1.00 31.05 H new ATOM 0 HB2 PRO A 32 -5.370 1.146 -12.088 1.00 40.02 H new ATOM 0 HB3 PRO A 32 -5.891 -0.270 -12.980 1.00 40.02 H new ATOM 0 HG2 PRO A 32 -6.663 0.051 -10.441 1.00 43.21 H new ATOM 0 HG3 PRO A 32 -6.239 -1.546 -11.023 1.00 43.21 H new ATOM 0 HD2 PRO A 32 -4.562 0.358 -9.348 1.00 32.21 H new ATOM 0 HD3 PRO A 32 -4.784 -1.369 -9.143 1.00 32.21 H new ATOM 500 N GLN A 33 -2.252 1.474 -11.924 1.00 41.24 N ATOM 501 CA GLN A 33 -1.437 2.648 -12.364 1.00 22.13 C ATOM 502 C GLN A 33 0.085 2.390 -12.289 1.00 34.40 C ATOM 503 O GLN A 33 0.870 3.260 -12.697 1.00 62.43 O ATOM 504 CB GLN A 33 -1.794 3.924 -11.542 1.00 70.44 C ATOM 505 CG GLN A 33 -3.218 4.489 -11.776 1.00 33.21 C ATOM 506 CD GLN A 33 -4.358 3.610 -11.249 1.00 25.30 C ATOM 507 OE1 GLN A 33 -5.450 3.590 -11.798 1.00 61.04 O ATOM 508 NE2 GLN A 33 -4.120 2.882 -10.169 1.00 53.35 N ATOM 0 H GLN A 33 -2.264 1.336 -10.913 1.00 41.24 H new ATOM 0 HA GLN A 33 -1.691 2.809 -13.412 1.00 22.13 H new ATOM 0 HB2 GLN A 33 -1.682 3.696 -10.482 1.00 70.44 H new ATOM 0 HB3 GLN A 33 -1.069 4.703 -11.779 1.00 70.44 H new ATOM 0 HG2 GLN A 33 -3.286 5.469 -11.303 1.00 33.21 H new ATOM 0 HG3 GLN A 33 -3.361 4.641 -12.846 1.00 33.21 H new ATOM 0 HE21 GLN A 33 -3.202 2.913 -9.725 1.00 53.35 H new ATOM 0 HE22 GLN A 33 -4.855 2.291 -9.781 1.00 53.35 H new ATOM 517 N VAL A 34 0.508 1.220 -11.774 1.00 41.24 N ATOM 518 CA VAL A 34 1.943 0.847 -11.738 1.00 73.35 C ATOM 519 C VAL A 34 2.524 0.704 -13.179 1.00 13.23 C ATOM 520 O VAL A 34 1.809 0.331 -14.118 1.00 73.41 O ATOM 521 CB VAL A 34 2.152 -0.480 -10.923 1.00 2.23 C ATOM 522 CG1 VAL A 34 1.519 -1.692 -11.636 1.00 74.42 C ATOM 523 CG2 VAL A 34 3.643 -0.734 -10.612 1.00 54.51 C ATOM 0 H VAL A 34 -0.116 0.517 -11.378 1.00 41.24 H new ATOM 0 HA VAL A 34 2.484 1.649 -11.236 1.00 73.35 H new ATOM 0 HB VAL A 34 1.637 -0.351 -9.971 1.00 2.23 H new ATOM 0 HG11 VAL A 34 1.684 -2.591 -11.042 1.00 74.42 H new ATOM 0 HG12 VAL A 34 0.448 -1.527 -11.753 1.00 74.42 H new ATOM 0 HG13 VAL A 34 1.977 -1.817 -12.617 1.00 74.42 H new ATOM 0 HG21 VAL A 34 3.744 -1.661 -10.047 1.00 54.51 H new ATOM 0 HG22 VAL A 34 4.201 -0.815 -11.545 1.00 54.51 H new ATOM 0 HG23 VAL A 34 4.038 0.094 -10.024 1.00 54.51 H new ATOM 533 N SER A 35 3.817 1.022 -13.346 1.00 31.13 N ATOM 534 CA SER A 35 4.500 0.998 -14.668 1.00 41.42 C ATOM 535 C SER A 35 5.581 -0.111 -14.726 1.00 53.30 C ATOM 536 O SER A 35 6.546 -0.005 -15.491 1.00 5.21 O ATOM 537 CB SER A 35 5.121 2.395 -14.927 1.00 41.44 C ATOM 538 OG SER A 35 5.708 2.490 -16.221 1.00 4.45 O ATOM 0 H SER A 35 4.425 1.303 -12.577 1.00 31.13 H new ATOM 0 HA SER A 35 3.772 0.769 -15.447 1.00 41.42 H new ATOM 0 HB2 SER A 35 4.350 3.159 -14.822 1.00 41.44 H new ATOM 0 HB3 SER A 35 5.878 2.600 -14.170 1.00 41.44 H new ATOM 0 HG SER A 35 6.201 1.666 -16.418 1.00 4.45 H new ATOM 544 N ALA A 36 5.373 -1.197 -13.942 1.00 51.01 N ATOM 545 CA ALA A 36 6.366 -2.288 -13.761 1.00 45.21 C ATOM 546 C ALA A 36 7.718 -1.734 -13.219 1.00 4.20 C ATOM 547 O ALA A 36 8.623 -1.421 -14.000 1.00 31.25 O ATOM 548 CB ALA A 36 6.544 -3.112 -15.062 1.00 74.34 C ATOM 0 H ALA A 36 4.511 -1.343 -13.416 1.00 51.01 H new ATOM 0 HA ALA A 36 5.980 -2.974 -13.007 1.00 45.21 H new ATOM 0 HB1 ALA A 36 7.277 -3.901 -14.895 1.00 74.34 H new ATOM 0 HB2 ALA A 36 5.590 -3.556 -15.345 1.00 74.34 H new ATOM 0 HB3 ALA A 36 6.891 -2.458 -15.862 1.00 74.34 H new ATOM 554 N PRO A 37 7.862 -1.589 -11.866 1.00 22.14 N ATOM 555 CA PRO A 37 8.990 -0.848 -11.251 1.00 43.01 C ATOM 556 C PRO A 37 10.320 -1.654 -11.188 1.00 33.41 C ATOM 557 O PRO A 37 10.369 -2.853 -11.493 1.00 73.45 O ATOM 558 CB PRO A 37 8.441 -0.536 -9.842 1.00 50.53 C ATOM 559 CG PRO A 37 7.597 -1.729 -9.510 1.00 53.20 C ATOM 560 CD PRO A 37 6.972 -2.172 -10.825 1.00 1.24 C ATOM 0 HA PRO A 37 9.272 0.031 -11.831 1.00 43.01 H new ATOM 0 HB2 PRO A 37 9.247 -0.404 -9.120 1.00 50.53 H new ATOM 0 HB3 PRO A 37 7.854 0.382 -9.837 1.00 50.53 H new ATOM 0 HG2 PRO A 37 8.200 -2.526 -9.075 1.00 53.20 H new ATOM 0 HG3 PRO A 37 6.830 -1.474 -8.778 1.00 53.20 H new ATOM 0 HD2 PRO A 37 6.930 -3.259 -10.900 1.00 1.24 H new ATOM 0 HD3 PRO A 37 5.950 -1.806 -10.924 1.00 1.24 H new ATOM 568 N THR A 38 11.384 -0.957 -10.766 1.00 34.32 N ATOM 569 CA THR A 38 12.756 -1.499 -10.684 1.00 11.21 C ATOM 570 C THR A 38 13.203 -1.598 -9.207 1.00 44.30 C ATOM 571 O THR A 38 13.077 -0.634 -8.451 1.00 62.00 O ATOM 572 CB THR A 38 13.745 -0.583 -11.487 1.00 13.14 C ATOM 573 OG1 THR A 38 13.268 -0.421 -12.838 1.00 20.35 O ATOM 574 CG2 THR A 38 15.179 -1.152 -11.523 1.00 13.22 C ATOM 0 H THR A 38 11.319 0.016 -10.466 1.00 34.32 H new ATOM 0 HA THR A 38 12.766 -2.498 -11.121 1.00 11.21 H new ATOM 0 HB THR A 38 13.781 0.378 -10.974 1.00 13.14 H new ATOM 0 HG1 THR A 38 13.886 0.153 -13.337 1.00 20.35 H new ATOM 0 HG21 THR A 38 15.823 -0.480 -12.091 1.00 13.22 H new ATOM 0 HG22 THR A 38 15.559 -1.245 -10.506 1.00 13.22 H new ATOM 0 HG23 THR A 38 15.169 -2.133 -11.998 1.00 13.22 H new ATOM 582 N LEU A 39 13.729 -2.769 -8.811 1.00 43.41 N ATOM 583 CA LEU A 39 14.178 -3.043 -7.422 1.00 40.25 C ATOM 584 C LEU A 39 15.717 -2.989 -7.343 1.00 61.31 C ATOM 585 O LEU A 39 16.414 -3.501 -8.223 1.00 50.44 O ATOM 586 CB LEU A 39 13.622 -4.417 -6.916 1.00 43.42 C ATOM 587 CG LEU A 39 12.205 -4.388 -6.246 1.00 31.23 C ATOM 588 CD1 LEU A 39 12.235 -3.631 -4.902 1.00 31.13 C ATOM 589 CD2 LEU A 39 11.130 -3.804 -7.190 1.00 53.21 C ATOM 0 H LEU A 39 13.858 -3.560 -9.442 1.00 43.41 H new ATOM 0 HA LEU A 39 13.778 -2.271 -6.764 1.00 40.25 H new ATOM 0 HB2 LEU A 39 13.587 -5.104 -7.761 1.00 43.42 H new ATOM 0 HB3 LEU A 39 14.331 -4.830 -6.199 1.00 43.42 H new ATOM 0 HG LEU A 39 11.928 -5.422 -6.043 1.00 31.23 H new ATOM 0 HD11 LEU A 39 11.237 -3.629 -4.463 1.00 31.13 H new ATOM 0 HD12 LEU A 39 12.929 -4.124 -4.222 1.00 31.13 H new ATOM 0 HD13 LEU A 39 12.560 -2.604 -5.070 1.00 31.13 H new ATOM 0 HD21 LEU A 39 10.164 -3.803 -6.685 1.00 53.21 H new ATOM 0 HD22 LEU A 39 11.399 -2.783 -7.460 1.00 53.21 H new ATOM 0 HD23 LEU A 39 11.067 -4.414 -8.091 1.00 53.21 H new ATOM 601 N ARG A 40 16.227 -2.352 -6.278 1.00 2.25 N ATOM 602 CA ARG A 40 17.679 -2.128 -6.064 1.00 53.14 C ATOM 603 C ARG A 40 18.014 -2.063 -4.554 1.00 44.14 C ATOM 604 O ARG A 40 17.150 -1.755 -3.739 1.00 4.43 O ATOM 605 CB ARG A 40 18.125 -0.824 -6.791 1.00 74.31 C ATOM 606 CG ARG A 40 17.181 0.377 -6.567 1.00 73.33 C ATOM 607 CD ARG A 40 17.660 1.668 -7.253 1.00 22.41 C ATOM 608 NE ARG A 40 18.882 2.207 -6.625 1.00 44.22 N ATOM 609 CZ ARG A 40 19.865 2.822 -7.244 1.00 31.21 C ATOM 610 NH1 ARG A 40 19.873 2.962 -8.537 1.00 3.01 N ATOM 611 NH2 ARG A 40 20.840 3.305 -6.550 1.00 51.32 N ATOM 0 H ARG A 40 15.645 -1.972 -5.531 1.00 2.25 H new ATOM 0 HA ARG A 40 18.229 -2.970 -6.486 1.00 53.14 H new ATOM 0 HB2 ARG A 40 19.125 -0.555 -6.451 1.00 74.31 H new ATOM 0 HB3 ARG A 40 18.195 -1.023 -7.860 1.00 74.31 H new ATOM 0 HG2 ARG A 40 16.188 0.124 -6.939 1.00 73.33 H new ATOM 0 HG3 ARG A 40 17.083 0.558 -5.497 1.00 73.33 H new ATOM 0 HD2 ARG A 40 17.852 1.469 -8.307 1.00 22.41 H new ATOM 0 HD3 ARG A 40 16.869 2.417 -7.209 1.00 22.41 H new ATOM 0 HE ARG A 40 18.972 2.091 -5.616 1.00 44.22 H new ATOM 0 HH11 ARG A 40 19.104 2.590 -9.095 1.00 3.01 H new ATOM 0 HH12 ARG A 40 20.648 3.444 -8.993 1.00 3.01 H new ATOM 0 HH21 ARG A 40 20.841 3.207 -5.535 1.00 51.32 H new ATOM 0 HH22 ARG A 40 21.610 3.785 -7.017 1.00 51.32 H new ATOM 625 N GLY A 41 19.311 -2.240 -4.229 1.00 64.25 N ATOM 626 CA GLY A 41 19.819 -2.434 -2.846 1.00 35.15 C ATOM 627 C GLY A 41 19.096 -3.493 -1.963 1.00 2.42 C ATOM 628 O GLY A 41 17.881 -3.680 -2.039 1.00 65.24 O ATOM 0 H GLY A 41 20.052 -2.253 -4.930 1.00 64.25 H new ATOM 0 HA2 GLY A 41 20.872 -2.709 -2.909 1.00 35.15 H new ATOM 0 HA3 GLY A 41 19.770 -1.475 -2.331 1.00 35.15 H new ATOM 632 N ALA A 42 19.893 -4.201 -1.120 1.00 2.32 N ATOM 633 CA ALA A 42 19.407 -5.259 -0.194 1.00 63.42 C ATOM 634 C ALA A 42 18.668 -6.416 -0.953 1.00 42.51 C ATOM 635 O ALA A 42 19.319 -7.212 -1.641 1.00 11.45 O ATOM 636 CB ALA A 42 18.571 -4.648 0.969 1.00 30.14 C ATOM 0 H ALA A 42 20.900 -4.052 -1.064 1.00 2.32 H new ATOM 0 HA ALA A 42 20.278 -5.727 0.265 1.00 63.42 H new ATOM 0 HB1 ALA A 42 18.229 -5.445 1.629 1.00 30.14 H new ATOM 0 HB2 ALA A 42 19.189 -3.949 1.533 1.00 30.14 H new ATOM 0 HB3 ALA A 42 17.709 -4.121 0.560 1.00 30.14 H new ATOM 642 N SER A 43 17.314 -6.450 -0.876 1.00 61.22 N ATOM 643 CA SER A 43 16.442 -7.495 -1.493 1.00 23.43 C ATOM 644 C SER A 43 14.951 -7.060 -1.383 1.00 34.01 C ATOM 645 O SER A 43 14.596 -6.377 -0.426 1.00 32.02 O ATOM 646 CB SER A 43 16.614 -8.895 -0.810 1.00 43.40 C ATOM 647 OG SER A 43 17.860 -9.496 -1.100 1.00 44.13 O ATOM 0 H SER A 43 16.782 -5.739 -0.374 1.00 61.22 H new ATOM 0 HA SER A 43 16.742 -7.592 -2.536 1.00 23.43 H new ATOM 0 HB2 SER A 43 16.512 -8.783 0.269 1.00 43.40 H new ATOM 0 HB3 SER A 43 15.812 -9.556 -1.139 1.00 43.40 H new ATOM 0 HG SER A 43 18.473 -8.821 -1.460 1.00 44.13 H new ATOM 653 N PRO A 44 14.041 -7.486 -2.334 1.00 21.13 N ATOM 654 CA PRO A 44 12.577 -7.105 -2.317 1.00 22.10 C ATOM 655 C PRO A 44 11.763 -7.623 -1.077 1.00 31.04 C ATOM 656 O PRO A 44 10.548 -7.416 -1.001 1.00 33.42 O ATOM 657 CB PRO A 44 12.042 -7.724 -3.643 1.00 5.15 C ATOM 658 CG PRO A 44 12.997 -8.838 -3.948 1.00 21.42 C ATOM 659 CD PRO A 44 14.353 -8.337 -3.515 1.00 72.13 C ATOM 0 HA PRO A 44 12.460 -6.024 -2.236 1.00 22.10 H new ATOM 0 HB2 PRO A 44 11.024 -8.095 -3.526 1.00 5.15 H new ATOM 0 HB3 PRO A 44 12.022 -6.987 -4.446 1.00 5.15 H new ATOM 0 HG2 PRO A 44 12.725 -9.747 -3.411 1.00 21.42 H new ATOM 0 HG3 PRO A 44 12.990 -9.081 -5.010 1.00 21.42 H new ATOM 0 HD2 PRO A 44 15.021 -9.158 -3.254 1.00 72.13 H new ATOM 0 HD3 PRO A 44 14.842 -7.766 -4.304 1.00 72.13 H new ATOM 667 N HIS A 45 12.419 -8.339 -0.141 1.00 71.22 N ATOM 668 CA HIS A 45 11.842 -8.676 1.194 1.00 51.33 C ATOM 669 C HIS A 45 12.701 -8.095 2.344 1.00 44.44 C ATOM 670 O HIS A 45 12.218 -7.973 3.476 1.00 3.13 O ATOM 671 CB HIS A 45 11.683 -10.212 1.361 1.00 12.53 C ATOM 672 CG HIS A 45 10.606 -10.802 0.487 1.00 40.40 C ATOM 673 ND1 HIS A 45 9.370 -11.176 0.966 1.00 1.53 N ATOM 674 CD2 HIS A 45 10.576 -11.061 -0.845 1.00 23.10 C ATOM 675 CE1 HIS A 45 8.633 -11.634 -0.020 1.00 31.50 C ATOM 676 NE2 HIS A 45 9.341 -11.575 -1.128 1.00 74.13 N ATOM 0 H HIS A 45 13.362 -8.703 -0.280 1.00 71.22 H new ATOM 0 HA HIS A 45 10.854 -8.219 1.246 1.00 51.33 H new ATOM 0 HB2 HIS A 45 12.633 -10.695 1.130 1.00 12.53 H new ATOM 0 HB3 HIS A 45 11.457 -10.435 2.404 1.00 12.53 H new ATOM 0 HD2 HIS A 45 11.377 -10.893 -1.549 1.00 23.10 H new ATOM 0 HE1 HIS A 45 7.619 -11.997 0.064 1.00 31.50 H new ATOM 0 HE2 HIS A 45 9.019 -11.866 -2.051 1.00 74.13 H new ATOM 685 N THR A 46 13.968 -7.737 2.053 1.00 12.15 N ATOM 686 CA THR A 46 14.917 -7.203 3.065 1.00 4.43 C ATOM 687 C THR A 46 14.791 -5.656 3.195 1.00 75.42 C ATOM 688 O THR A 46 14.908 -4.947 2.186 1.00 64.34 O ATOM 689 CB THR A 46 16.403 -7.571 2.708 1.00 51.04 C ATOM 690 OG1 THR A 46 16.538 -8.994 2.566 1.00 73.35 O ATOM 691 CG2 THR A 46 17.408 -7.083 3.771 1.00 63.34 C ATOM 0 H THR A 46 14.366 -7.807 1.116 1.00 12.15 H new ATOM 0 HA THR A 46 14.656 -7.665 4.017 1.00 4.43 H new ATOM 0 HB THR A 46 16.632 -7.066 1.770 1.00 51.04 H new ATOM 0 HG1 THR A 46 17.466 -9.214 2.342 1.00 73.35 H new ATOM 0 HG21 THR A 46 18.418 -7.364 3.473 1.00 63.34 H new ATOM 0 HG22 THR A 46 17.345 -5.999 3.861 1.00 63.34 H new ATOM 0 HG23 THR A 46 17.172 -7.541 4.732 1.00 63.34 H new ATOM 699 N PRO A 47 14.513 -5.117 4.434 1.00 24.14 N ATOM 700 CA PRO A 47 14.546 -3.652 4.728 1.00 10.25 C ATOM 701 C PRO A 47 15.800 -2.917 4.171 1.00 40.25 C ATOM 702 O PRO A 47 16.938 -3.262 4.513 1.00 71.04 O ATOM 703 CB PRO A 47 14.504 -3.617 6.274 1.00 14.13 C ATOM 704 CG PRO A 47 13.687 -4.819 6.634 1.00 70.35 C ATOM 705 CD PRO A 47 14.080 -5.890 5.636 1.00 34.14 C ATOM 0 HA PRO A 47 13.724 -3.124 4.244 1.00 10.25 H new ATOM 0 HB2 PRO A 47 15.505 -3.670 6.703 1.00 14.13 H new ATOM 0 HB3 PRO A 47 14.048 -2.698 6.642 1.00 14.13 H new ATOM 0 HG2 PRO A 47 13.891 -5.141 7.655 1.00 70.35 H new ATOM 0 HG3 PRO A 47 12.621 -4.601 6.576 1.00 70.35 H new ATOM 0 HD2 PRO A 47 14.885 -6.517 6.019 1.00 34.14 H new ATOM 0 HD3 PRO A 47 13.243 -6.550 5.407 1.00 34.14 H new ATOM 713 N GLY A 48 15.561 -1.937 3.276 1.00 12.13 N ATOM 714 CA GLY A 48 16.625 -1.183 2.593 1.00 43.24 C ATOM 715 C GLY A 48 16.397 -1.075 1.079 1.00 43.20 C ATOM 716 O GLY A 48 16.954 -0.184 0.425 1.00 61.25 O ATOM 0 H GLY A 48 14.620 -1.647 3.008 1.00 12.13 H new ATOM 0 HA2 GLY A 48 16.686 -0.182 3.019 1.00 43.24 H new ATOM 0 HA3 GLY A 48 17.584 -1.667 2.778 1.00 43.24 H new ATOM 720 N ALA A 49 15.570 -1.986 0.525 1.00 72.34 N ATOM 721 CA ALA A 49 15.296 -2.055 -0.931 1.00 11.03 C ATOM 722 C ALA A 49 14.465 -0.856 -1.455 1.00 74.40 C ATOM 723 O ALA A 49 13.532 -0.406 -0.799 1.00 33.13 O ATOM 724 CB ALA A 49 14.577 -3.364 -1.271 1.00 70.52 C ATOM 0 H ALA A 49 15.074 -2.692 1.069 1.00 72.34 H new ATOM 0 HA ALA A 49 16.265 -2.014 -1.429 1.00 11.03 H new ATOM 0 HB1 ALA A 49 14.381 -3.404 -2.342 1.00 70.52 H new ATOM 0 HB2 ALA A 49 15.204 -4.208 -0.985 1.00 70.52 H new ATOM 0 HB3 ALA A 49 13.633 -3.413 -0.727 1.00 70.52 H new ATOM 730 N GLU A 50 14.806 -0.377 -2.667 1.00 71.22 N ATOM 731 CA GLU A 50 14.137 0.769 -3.319 1.00 51.42 C ATOM 732 C GLU A 50 13.259 0.290 -4.501 1.00 74.45 C ATOM 733 O GLU A 50 13.744 -0.422 -5.386 1.00 75.15 O ATOM 734 CB GLU A 50 15.182 1.790 -3.842 1.00 31.53 C ATOM 735 CG GLU A 50 16.235 2.233 -2.809 1.00 74.33 C ATOM 736 CD GLU A 50 17.196 3.300 -3.354 1.00 30.13 C ATOM 737 OE1 GLU A 50 16.821 4.502 -3.371 1.00 42.55 O ATOM 738 OE2 GLU A 50 18.321 2.947 -3.779 1.00 21.31 O ATOM 0 H GLU A 50 15.559 -0.777 -3.227 1.00 71.22 H new ATOM 0 HA GLU A 50 13.505 1.251 -2.573 1.00 51.42 H new ATOM 0 HB2 GLU A 50 15.696 1.354 -4.698 1.00 31.53 H new ATOM 0 HB3 GLU A 50 14.655 2.673 -4.203 1.00 31.53 H new ATOM 0 HG2 GLU A 50 15.729 2.624 -1.927 1.00 74.33 H new ATOM 0 HG3 GLU A 50 16.809 1.364 -2.488 1.00 74.33 H new ATOM 745 N ARG A 51 11.973 0.686 -4.503 1.00 45.14 N ATOM 746 CA ARG A 51 11.031 0.434 -5.613 1.00 54.14 C ATOM 747 C ARG A 51 10.850 1.722 -6.452 1.00 51.15 C ATOM 748 O ARG A 51 10.228 2.689 -6.001 1.00 33.24 O ATOM 749 CB ARG A 51 9.676 -0.053 -5.044 1.00 65.21 C ATOM 750 CG ARG A 51 8.640 -0.454 -6.113 1.00 20.14 C ATOM 751 CD ARG A 51 7.415 -1.168 -5.520 1.00 21.30 C ATOM 752 NE ARG A 51 6.616 -0.318 -4.622 1.00 21.35 N ATOM 753 CZ ARG A 51 5.663 -0.733 -3.801 1.00 34.22 C ATOM 754 NH1 ARG A 51 5.391 -2.001 -3.655 1.00 74.33 N ATOM 755 NH2 ARG A 51 5.007 0.142 -3.108 1.00 12.33 N ATOM 0 H ARG A 51 11.552 1.196 -3.726 1.00 45.14 H new ATOM 0 HA ARG A 51 11.431 -0.343 -6.264 1.00 54.14 H new ATOM 0 HB2 ARG A 51 9.856 -0.908 -4.392 1.00 65.21 H new ATOM 0 HB3 ARG A 51 9.252 0.737 -4.424 1.00 65.21 H new ATOM 0 HG2 ARG A 51 8.312 0.438 -6.646 1.00 20.14 H new ATOM 0 HG3 ARG A 51 9.115 -1.106 -6.846 1.00 20.14 H new ATOM 0 HD2 ARG A 51 6.781 -1.520 -6.334 1.00 21.30 H new ATOM 0 HD3 ARG A 51 7.748 -2.049 -4.972 1.00 21.30 H new ATOM 0 HE ARG A 51 6.815 0.682 -4.633 1.00 21.35 H new ATOM 0 HH11 ARG A 51 5.918 -2.699 -4.180 1.00 74.33 H new ATOM 0 HH12 ARG A 51 4.652 -2.294 -3.016 1.00 74.33 H new ATOM 0 HH21 ARG A 51 5.227 1.134 -3.199 1.00 12.33 H new ATOM 0 HH22 ARG A 51 4.270 -0.160 -2.471 1.00 12.33 H new ATOM 769 N VAL A 52 11.406 1.717 -7.676 1.00 13.15 N ATOM 770 CA VAL A 52 11.483 2.909 -8.552 1.00 25.33 C ATOM 771 C VAL A 52 10.574 2.739 -9.803 1.00 60.30 C ATOM 772 O VAL A 52 10.854 1.902 -10.660 1.00 5.22 O ATOM 773 CB VAL A 52 12.975 3.132 -9.011 1.00 34.45 C ATOM 774 CG1 VAL A 52 13.116 4.426 -9.835 1.00 44.11 C ATOM 775 CG2 VAL A 52 13.953 3.130 -7.808 1.00 15.32 C ATOM 0 H VAL A 52 11.819 0.882 -8.092 1.00 13.15 H new ATOM 0 HA VAL A 52 11.136 3.774 -7.988 1.00 25.33 H new ATOM 0 HB VAL A 52 13.245 2.292 -9.652 1.00 34.45 H new ATOM 0 HG11 VAL A 52 14.155 4.553 -10.138 1.00 44.11 H new ATOM 0 HG12 VAL A 52 12.485 4.363 -10.722 1.00 44.11 H new ATOM 0 HG13 VAL A 52 12.807 5.278 -9.230 1.00 44.11 H new ATOM 0 HG21 VAL A 52 14.971 3.286 -8.166 1.00 15.32 H new ATOM 0 HG22 VAL A 52 13.684 3.930 -7.119 1.00 15.32 H new ATOM 0 HG23 VAL A 52 13.893 2.172 -7.292 1.00 15.32 H new ATOM 785 N PHE A 53 9.504 3.548 -9.907 1.00 33.25 N ATOM 786 CA PHE A 53 8.496 3.436 -11.002 1.00 42.31 C ATOM 787 C PHE A 53 9.026 3.948 -12.367 1.00 71.42 C ATOM 788 O PHE A 53 9.027 3.202 -13.358 1.00 42.22 O ATOM 789 CB PHE A 53 7.188 4.181 -10.614 1.00 22.25 C ATOM 790 CG PHE A 53 6.428 3.531 -9.455 1.00 44.14 C ATOM 791 CD1 PHE A 53 6.808 3.745 -8.132 1.00 54.32 C ATOM 792 CD2 PHE A 53 5.336 2.694 -9.694 1.00 64.42 C ATOM 793 CE1 PHE A 53 6.123 3.151 -7.094 1.00 51.41 C ATOM 794 CE2 PHE A 53 4.654 2.103 -8.650 1.00 1.42 C ATOM 795 CZ PHE A 53 5.046 2.328 -7.351 1.00 2.45 C ATOM 0 H PHE A 53 9.305 4.297 -9.244 1.00 33.25 H new ATOM 0 HA PHE A 53 8.285 2.374 -11.126 1.00 42.31 H new ATOM 0 HB2 PHE A 53 7.432 5.209 -10.345 1.00 22.25 H new ATOM 0 HB3 PHE A 53 6.534 4.226 -11.485 1.00 22.25 H new ATOM 0 HD1 PHE A 53 7.651 4.385 -7.917 1.00 54.32 H new ATOM 0 HD2 PHE A 53 5.021 2.507 -10.710 1.00 64.42 H new ATOM 0 HE1 PHE A 53 6.431 3.331 -6.075 1.00 51.41 H new ATOM 0 HE2 PHE A 53 3.809 1.461 -8.854 1.00 1.42 H new ATOM 0 HZ PHE A 53 4.513 1.862 -6.535 1.00 2.45 H new ATOM 805 N GLY A 54 9.447 5.224 -12.405 1.00 44.20 N ATOM 806 CA GLY A 54 9.933 5.854 -13.646 1.00 1.22 C ATOM 807 C GLY A 54 11.265 5.270 -14.125 1.00 30.13 C ATOM 808 O GLY A 54 11.402 4.896 -15.296 1.00 41.34 O ATOM 0 H GLY A 54 9.461 5.839 -11.592 1.00 44.20 H new ATOM 0 HA2 GLY A 54 9.185 5.730 -14.429 1.00 1.22 H new ATOM 0 HA3 GLY A 54 10.049 6.926 -13.483 1.00 1.22 H new ATOM 812 N ALA A 55 12.240 5.202 -13.191 1.00 63.03 N ATOM 813 CA ALA A 55 13.626 4.696 -13.435 1.00 12.53 C ATOM 814 C ALA A 55 14.336 5.348 -14.662 1.00 61.13 C ATOM 815 O ALA A 55 15.275 4.778 -15.230 1.00 0.22 O ATOM 816 CB ALA A 55 13.623 3.155 -13.523 1.00 65.41 C ATOM 0 H ALA A 55 12.092 5.500 -12.227 1.00 63.03 H new ATOM 0 HA ALA A 55 14.224 5.002 -12.576 1.00 12.53 H new ATOM 0 HB1 ALA A 55 14.638 2.799 -13.701 1.00 65.41 H new ATOM 0 HB2 ALA A 55 13.251 2.738 -12.587 1.00 65.41 H new ATOM 0 HB3 ALA A 55 12.978 2.839 -14.343 1.00 65.41 H new ATOM 822 N GLY A 56 13.902 6.564 -15.019 1.00 31.32 N ATOM 823 CA GLY A 56 14.425 7.288 -16.187 1.00 61.23 C ATOM 824 C GLY A 56 13.606 8.537 -16.535 1.00 44.41 C ATOM 825 O GLY A 56 13.612 8.999 -17.683 1.00 72.11 O ATOM 0 H GLY A 56 13.181 7.073 -14.508 1.00 31.32 H new ATOM 0 HA2 GLY A 56 15.457 7.580 -15.994 1.00 61.23 H new ATOM 0 HA3 GLY A 56 14.438 6.618 -17.047 1.00 61.23 H new ATOM 829 N THR A 57 12.899 9.089 -15.526 1.00 42.21 N ATOM 830 CA THR A 57 12.088 10.329 -15.651 1.00 51.42 C ATOM 831 C THR A 57 12.462 11.313 -14.524 1.00 2.42 C ATOM 832 O THR A 57 12.686 10.898 -13.384 1.00 5.51 O ATOM 833 CB THR A 57 10.542 10.048 -15.586 1.00 73.34 C ATOM 834 OG1 THR A 57 10.194 9.411 -14.346 1.00 34.11 O ATOM 835 CG2 THR A 57 10.063 9.172 -16.755 1.00 32.23 C ATOM 0 H THR A 57 12.872 8.685 -14.590 1.00 42.21 H new ATOM 0 HA THR A 57 12.311 10.757 -16.629 1.00 51.42 H new ATOM 0 HB THR A 57 10.044 11.015 -15.657 1.00 73.34 H new ATOM 0 HG1 THR A 57 9.228 9.246 -14.323 1.00 34.11 H new ATOM 0 HG21 THR A 57 8.989 9.005 -16.668 1.00 32.23 H new ATOM 0 HG22 THR A 57 10.277 9.675 -17.698 1.00 32.23 H new ATOM 0 HG23 THR A 57 10.583 8.214 -16.729 1.00 32.23 H new ATOM 843 N GLU A 58 12.495 12.619 -14.845 1.00 51.44 N ATOM 844 CA GLU A 58 12.908 13.686 -13.891 1.00 24.14 C ATOM 845 C GLU A 58 11.976 13.779 -12.653 1.00 44.23 C ATOM 846 O GLU A 58 12.421 14.157 -11.563 1.00 32.20 O ATOM 847 CB GLU A 58 12.964 15.049 -14.629 1.00 72.15 C ATOM 848 CG GLU A 58 13.977 15.087 -15.789 1.00 51.53 C ATOM 849 CD GLU A 58 13.972 16.422 -16.551 1.00 62.11 C ATOM 850 OE1 GLU A 58 13.171 16.576 -17.501 1.00 60.44 O ATOM 851 OE2 GLU A 58 14.763 17.323 -16.204 1.00 74.44 O ATOM 0 H GLU A 58 12.239 12.972 -15.767 1.00 51.44 H new ATOM 0 HA GLU A 58 13.898 13.424 -13.516 1.00 24.14 H new ATOM 0 HB2 GLU A 58 11.973 15.282 -15.017 1.00 72.15 H new ATOM 0 HB3 GLU A 58 13.218 15.830 -13.912 1.00 72.15 H new ATOM 0 HG2 GLU A 58 14.977 14.904 -15.396 1.00 51.53 H new ATOM 0 HG3 GLU A 58 13.754 14.278 -16.484 1.00 51.53 H new ATOM 858 N GLU A 59 10.682 13.433 -12.834 1.00 73.22 N ATOM 859 CA GLU A 59 9.677 13.418 -11.738 1.00 54.31 C ATOM 860 C GLU A 59 9.046 12.001 -11.593 1.00 0.51 C ATOM 861 O GLU A 59 7.922 11.741 -12.038 1.00 4.31 O ATOM 862 CB GLU A 59 8.600 14.523 -11.975 1.00 44.30 C ATOM 863 CG GLU A 59 9.185 15.951 -12.093 1.00 54.35 C ATOM 864 CD GLU A 59 8.125 17.048 -12.298 1.00 22.31 C ATOM 865 OE1 GLU A 59 7.633 17.210 -13.436 1.00 44.34 O ATOM 866 OE2 GLU A 59 7.800 17.769 -11.331 1.00 3.31 O ATOM 0 H GLU A 59 10.302 13.157 -13.739 1.00 73.22 H new ATOM 0 HA GLU A 59 10.174 13.645 -10.795 1.00 54.31 H new ATOM 0 HB2 GLU A 59 8.048 14.290 -12.886 1.00 44.30 H new ATOM 0 HB3 GLU A 59 7.883 14.501 -11.154 1.00 44.30 H new ATOM 0 HG2 GLU A 59 9.754 16.175 -11.191 1.00 54.35 H new ATOM 0 HG3 GLU A 59 9.886 15.977 -12.927 1.00 54.35 H new ATOM 873 N GLU A 60 9.839 11.084 -11.000 1.00 64.32 N ATOM 874 CA GLU A 60 9.438 9.676 -10.710 1.00 42.42 C ATOM 875 C GLU A 60 9.243 9.437 -9.200 1.00 31.11 C ATOM 876 O GLU A 60 9.715 10.216 -8.372 1.00 21.41 O ATOM 877 CB GLU A 60 10.513 8.698 -11.250 1.00 71.54 C ATOM 878 CG GLU A 60 11.924 8.868 -10.638 1.00 5.25 C ATOM 879 CD GLU A 60 13.007 8.064 -11.366 1.00 20.11 C ATOM 880 OE1 GLU A 60 13.028 8.081 -12.617 1.00 22.51 O ATOM 881 OE2 GLU A 60 13.861 7.447 -10.705 1.00 0.41 O ATOM 0 H GLU A 60 10.791 11.296 -10.702 1.00 64.32 H new ATOM 0 HA GLU A 60 8.485 9.496 -11.208 1.00 42.42 H new ATOM 0 HB2 GLU A 60 10.176 7.677 -11.069 1.00 71.54 H new ATOM 0 HB3 GLU A 60 10.585 8.823 -12.330 1.00 71.54 H new ATOM 0 HG2 GLU A 60 12.194 9.924 -10.655 1.00 5.25 H new ATOM 0 HG3 GLU A 60 11.897 8.562 -9.592 1.00 5.25 H new ATOM 888 N LEU A 61 8.581 8.321 -8.849 1.00 1.23 N ATOM 889 CA LEU A 61 8.341 7.938 -7.447 1.00 43.21 C ATOM 890 C LEU A 61 9.314 6.812 -7.042 1.00 45.24 C ATOM 891 O LEU A 61 9.398 5.775 -7.710 1.00 24.13 O ATOM 892 CB LEU A 61 6.866 7.495 -7.240 1.00 3.42 C ATOM 893 CG LEU A 61 6.493 7.003 -5.797 1.00 14.41 C ATOM 894 CD1 LEU A 61 6.813 8.073 -4.727 1.00 71.45 C ATOM 895 CD2 LEU A 61 5.015 6.555 -5.725 1.00 31.13 C ATOM 0 H LEU A 61 8.199 7.661 -9.526 1.00 1.23 H new ATOM 0 HA LEU A 61 8.519 8.804 -6.809 1.00 43.21 H new ATOM 0 HB2 LEU A 61 6.216 8.332 -7.497 1.00 3.42 H new ATOM 0 HB3 LEU A 61 6.646 6.693 -7.944 1.00 3.42 H new ATOM 0 HG LEU A 61 7.114 6.134 -5.577 1.00 14.41 H new ATOM 0 HD11 LEU A 61 6.541 7.695 -3.742 1.00 71.45 H new ATOM 0 HD12 LEU A 61 7.879 8.300 -4.747 1.00 71.45 H new ATOM 0 HD13 LEU A 61 6.245 8.979 -4.937 1.00 71.45 H new ATOM 0 HD21 LEU A 61 4.785 6.219 -4.714 1.00 31.13 H new ATOM 0 HD22 LEU A 61 4.368 7.393 -5.985 1.00 31.13 H new ATOM 0 HD23 LEU A 61 4.848 5.737 -6.425 1.00 31.13 H new ATOM 907 N VAL A 62 10.080 7.058 -5.965 1.00 3.53 N ATOM 908 CA VAL A 62 10.967 6.052 -5.348 1.00 33.51 C ATOM 909 C VAL A 62 10.549 5.821 -3.877 1.00 4.21 C ATOM 910 O VAL A 62 10.408 6.777 -3.107 1.00 34.34 O ATOM 911 CB VAL A 62 12.481 6.480 -5.408 1.00 64.23 C ATOM 912 CG1 VAL A 62 13.401 5.390 -4.784 1.00 5.11 C ATOM 913 CG2 VAL A 62 12.914 6.817 -6.861 1.00 41.53 C ATOM 0 H VAL A 62 10.103 7.963 -5.495 1.00 3.53 H new ATOM 0 HA VAL A 62 10.863 5.128 -5.917 1.00 33.51 H new ATOM 0 HB VAL A 62 12.591 7.386 -4.812 1.00 64.23 H new ATOM 0 HG11 VAL A 62 14.440 5.715 -4.840 1.00 5.11 H new ATOM 0 HG12 VAL A 62 13.125 5.235 -3.741 1.00 5.11 H new ATOM 0 HG13 VAL A 62 13.283 4.456 -5.333 1.00 5.11 H new ATOM 0 HG21 VAL A 62 13.964 7.109 -6.869 1.00 41.53 H new ATOM 0 HG22 VAL A 62 12.776 5.941 -7.494 1.00 41.53 H new ATOM 0 HG23 VAL A 62 12.306 7.638 -7.241 1.00 41.53 H new ATOM 923 N GLU A 63 10.346 4.545 -3.515 1.00 4.12 N ATOM 924 CA GLU A 63 9.974 4.109 -2.145 1.00 55.21 C ATOM 925 C GLU A 63 11.078 3.202 -1.551 1.00 51.31 C ATOM 926 O GLU A 63 11.761 2.519 -2.293 1.00 50.24 O ATOM 927 CB GLU A 63 8.614 3.358 -2.208 1.00 41.30 C ATOM 928 CG GLU A 63 7.465 4.221 -2.779 1.00 65.31 C ATOM 929 CD GLU A 63 6.220 3.412 -3.170 1.00 62.12 C ATOM 930 OE1 GLU A 63 6.353 2.513 -4.012 1.00 72.21 O ATOM 931 OE2 GLU A 63 5.118 3.650 -2.631 1.00 24.14 O ATOM 0 H GLU A 63 10.435 3.769 -4.171 1.00 4.12 H new ATOM 0 HA GLU A 63 9.874 4.979 -1.496 1.00 55.21 H new ATOM 0 HB2 GLU A 63 8.728 2.465 -2.822 1.00 41.30 H new ATOM 0 HB3 GLU A 63 8.345 3.024 -1.206 1.00 41.30 H new ATOM 0 HG2 GLU A 63 7.183 4.970 -2.039 1.00 65.31 H new ATOM 0 HG3 GLU A 63 7.827 4.759 -3.655 1.00 65.31 H new ATOM 938 N ARG A 64 11.266 3.216 -0.213 1.00 35.03 N ATOM 939 CA ARG A 64 12.274 2.358 0.475 1.00 25.21 C ATOM 940 C ARG A 64 11.628 1.523 1.599 1.00 50.31 C ATOM 941 O ARG A 64 10.938 2.060 2.454 1.00 32.13 O ATOM 942 CB ARG A 64 13.441 3.209 1.054 1.00 63.11 C ATOM 943 CG ARG A 64 14.383 3.800 -0.010 1.00 53.51 C ATOM 944 CD ARG A 64 15.569 4.565 0.602 1.00 12.05 C ATOM 945 NE ARG A 64 16.493 5.054 -0.430 1.00 22.34 N ATOM 946 CZ ARG A 64 17.700 5.527 -0.219 1.00 22.41 C ATOM 947 NH1 ARG A 64 18.199 5.625 0.974 1.00 2.42 N ATOM 948 NH2 ARG A 64 18.408 5.899 -1.226 1.00 21.10 N ATOM 0 H ARG A 64 10.734 3.813 0.420 1.00 35.03 H new ATOM 0 HA ARG A 64 12.678 1.678 -0.275 1.00 25.21 H new ATOM 0 HB2 ARG A 64 13.022 4.024 1.645 1.00 63.11 H new ATOM 0 HB3 ARG A 64 14.024 2.589 1.735 1.00 63.11 H new ATOM 0 HG2 ARG A 64 14.762 2.995 -0.640 1.00 53.51 H new ATOM 0 HG3 ARG A 64 13.818 4.472 -0.656 1.00 53.51 H new ATOM 0 HD2 ARG A 64 15.196 5.407 1.185 1.00 12.05 H new ATOM 0 HD3 ARG A 64 16.106 3.913 1.291 1.00 12.05 H new ATOM 0 HE ARG A 64 16.168 5.023 -1.396 1.00 22.34 H new ATOM 0 HH11 ARG A 64 17.651 5.330 1.782 1.00 2.42 H new ATOM 0 HH12 ARG A 64 19.140 5.997 1.104 1.00 2.42 H new ATOM 0 HH21 ARG A 64 18.030 5.824 -2.170 1.00 21.10 H new ATOM 0 HH22 ARG A 64 19.347 6.269 -1.080 1.00 21.10 H new ATOM 962 N LEU A 65 11.895 0.211 1.593 1.00 62.34 N ATOM 963 CA LEU A 65 11.393 -0.736 2.602 1.00 73.33 C ATOM 964 C LEU A 65 12.035 -0.463 3.992 1.00 34.22 C ATOM 965 O LEU A 65 13.247 -0.584 4.163 1.00 31.11 O ATOM 966 CB LEU A 65 11.669 -2.184 2.100 1.00 14.13 C ATOM 967 CG LEU A 65 11.251 -3.364 3.036 1.00 64.23 C ATOM 968 CD1 LEU A 65 9.833 -3.180 3.589 1.00 34.33 C ATOM 969 CD2 LEU A 65 11.377 -4.722 2.302 1.00 20.43 C ATOM 0 H LEU A 65 12.473 -0.231 0.878 1.00 62.34 H new ATOM 0 HA LEU A 65 10.319 -0.608 2.734 1.00 73.33 H new ATOM 0 HB2 LEU A 65 11.156 -2.313 1.147 1.00 14.13 H new ATOM 0 HB3 LEU A 65 12.737 -2.274 1.902 1.00 14.13 H new ATOM 0 HG LEU A 65 11.937 -3.362 3.883 1.00 64.23 H new ATOM 0 HD11 LEU A 65 9.582 -4.022 4.234 1.00 34.33 H new ATOM 0 HD12 LEU A 65 9.784 -2.255 4.163 1.00 34.33 H new ATOM 0 HD13 LEU A 65 9.124 -3.132 2.763 1.00 34.33 H new ATOM 0 HD21 LEU A 65 11.081 -5.528 2.974 1.00 20.43 H new ATOM 0 HD22 LEU A 65 10.729 -4.723 1.426 1.00 20.43 H new ATOM 0 HD23 LEU A 65 12.410 -4.872 1.989 1.00 20.43 H new ATOM 981 N VAL A 66 11.196 -0.071 4.973 1.00 70.24 N ATOM 982 CA VAL A 66 11.642 0.264 6.345 1.00 33.11 C ATOM 983 C VAL A 66 11.750 -1.002 7.225 1.00 42.43 C ATOM 984 O VAL A 66 12.782 -1.249 7.857 1.00 43.32 O ATOM 985 CB VAL A 66 10.657 1.298 7.016 1.00 71.24 C ATOM 986 CG1 VAL A 66 11.038 1.605 8.488 1.00 71.02 C ATOM 987 CG2 VAL A 66 10.584 2.601 6.192 1.00 35.00 C ATOM 0 H VAL A 66 10.189 0.023 4.838 1.00 70.24 H new ATOM 0 HA VAL A 66 12.631 0.715 6.266 1.00 33.11 H new ATOM 0 HB VAL A 66 9.671 0.834 7.028 1.00 71.24 H new ATOM 0 HG11 VAL A 66 10.330 2.321 8.905 1.00 71.02 H new ATOM 0 HG12 VAL A 66 11.009 0.684 9.071 1.00 71.02 H new ATOM 0 HG13 VAL A 66 12.043 2.025 8.524 1.00 71.02 H new ATOM 0 HG21 VAL A 66 9.899 3.298 6.674 1.00 35.00 H new ATOM 0 HG22 VAL A 66 11.576 3.049 6.132 1.00 35.00 H new ATOM 0 HG23 VAL A 66 10.226 2.377 5.187 1.00 35.00 H new ATOM 997 N GLU A 67 10.667 -1.794 7.249 1.00 23.24 N ATOM 998 CA GLU A 67 10.567 -3.017 8.076 1.00 64.21 C ATOM 999 C GLU A 67 9.491 -3.966 7.498 1.00 41.15 C ATOM 1000 O GLU A 67 8.438 -3.524 7.037 1.00 1.12 O ATOM 1001 CB GLU A 67 10.265 -2.627 9.557 1.00 75.20 C ATOM 1002 CG GLU A 67 8.947 -1.836 9.771 1.00 34.22 C ATOM 1003 CD GLU A 67 8.960 -0.906 10.998 1.00 22.11 C ATOM 1004 OE1 GLU A 67 9.213 -1.394 12.117 1.00 71.11 O ATOM 1005 OE2 GLU A 67 8.731 0.321 10.843 1.00 11.15 O ATOM 0 H GLU A 67 9.831 -1.608 6.695 1.00 23.24 H new ATOM 0 HA GLU A 67 11.517 -3.552 8.057 1.00 64.21 H new ATOM 0 HB2 GLU A 67 10.226 -3.537 10.156 1.00 75.20 H new ATOM 0 HB3 GLU A 67 11.095 -2.031 9.936 1.00 75.20 H new ATOM 0 HG2 GLU A 67 8.745 -1.241 8.880 1.00 34.22 H new ATOM 0 HG3 GLU A 67 8.125 -2.544 9.875 1.00 34.22 H new ATOM 1012 N ARG A 68 9.769 -5.277 7.516 1.00 42.23 N ATOM 1013 CA ARG A 68 8.862 -6.303 6.956 1.00 60.32 C ATOM 1014 C ARG A 68 8.679 -7.460 7.962 1.00 43.43 C ATOM 1015 O ARG A 68 9.658 -8.074 8.395 1.00 25.50 O ATOM 1016 CB ARG A 68 9.427 -6.836 5.601 1.00 61.32 C ATOM 1017 CG ARG A 68 8.523 -7.880 4.856 1.00 63.15 C ATOM 1018 CD ARG A 68 9.246 -9.222 4.570 1.00 14.33 C ATOM 1019 NE ARG A 68 9.599 -9.949 5.815 1.00 1.43 N ATOM 1020 CZ ARG A 68 10.823 -10.216 6.249 1.00 44.01 C ATOM 1021 NH1 ARG A 68 11.872 -9.782 5.625 1.00 54.24 N ATOM 1022 NH2 ARG A 68 10.978 -10.892 7.339 1.00 53.31 N ATOM 0 H ARG A 68 10.625 -5.661 7.917 1.00 42.23 H new ATOM 0 HA ARG A 68 7.887 -5.851 6.771 1.00 60.32 H new ATOM 0 HB2 ARG A 68 9.594 -5.987 4.938 1.00 61.32 H new ATOM 0 HB3 ARG A 68 10.400 -7.291 5.787 1.00 61.32 H new ATOM 0 HG2 ARG A 68 7.634 -8.075 5.456 1.00 63.15 H new ATOM 0 HG3 ARG A 68 8.184 -7.450 3.914 1.00 63.15 H new ATOM 0 HD2 ARG A 68 8.606 -9.853 3.953 1.00 14.33 H new ATOM 0 HD3 ARG A 68 10.152 -9.029 3.996 1.00 14.33 H new ATOM 0 HE ARG A 68 8.824 -10.275 6.393 1.00 1.43 H new ATOM 0 HH11 ARG A 68 11.767 -9.221 4.780 1.00 54.24 H new ATOM 0 HH12 ARG A 68 12.803 -10.001 5.979 1.00 54.24 H new ATOM 0 HH21 ARG A 68 10.162 -11.216 7.859 1.00 53.31 H new ATOM 0 HH22 ARG A 68 11.916 -11.102 7.680 1.00 53.31 H new ATOM 1036 N ASP A 69 7.420 -7.754 8.321 1.00 54.34 N ATOM 1037 CA ASP A 69 7.067 -8.922 9.162 1.00 40.32 C ATOM 1038 C ASP A 69 6.222 -9.903 8.312 1.00 62.10 C ATOM 1039 O ASP A 69 5.021 -9.708 8.133 1.00 42.11 O ATOM 1040 CB ASP A 69 6.301 -8.475 10.444 1.00 24.32 C ATOM 1041 CG ASP A 69 6.278 -9.551 11.558 1.00 52.44 C ATOM 1042 OD1 ASP A 69 5.930 -10.722 11.280 1.00 13.24 O ATOM 1043 OD2 ASP A 69 6.629 -9.240 12.714 1.00 10.34 O ATOM 0 H ASP A 69 6.615 -7.194 8.040 1.00 54.34 H new ATOM 0 HA ASP A 69 7.975 -9.424 9.496 1.00 40.32 H new ATOM 0 HB2 ASP A 69 6.762 -7.568 10.835 1.00 24.32 H new ATOM 0 HB3 ASP A 69 5.276 -8.220 10.175 1.00 24.32 H new ATOM 1048 N GLU A 70 6.860 -10.963 7.806 1.00 52.04 N ATOM 1049 CA GLU A 70 6.231 -11.899 6.852 1.00 15.10 C ATOM 1050 C GLU A 70 5.309 -12.933 7.558 1.00 13.12 C ATOM 1051 O GLU A 70 4.298 -13.367 6.983 1.00 70.51 O ATOM 1052 CB GLU A 70 7.339 -12.589 6.018 1.00 45.11 C ATOM 1053 CG GLU A 70 6.829 -13.380 4.795 1.00 44.03 C ATOM 1054 CD GLU A 70 7.937 -13.757 3.797 1.00 43.24 C ATOM 1055 OE1 GLU A 70 8.596 -12.833 3.262 1.00 11.11 O ATOM 1056 OE2 GLU A 70 8.173 -14.959 3.560 1.00 42.52 O ATOM 0 H GLU A 70 7.824 -11.201 8.041 1.00 52.04 H new ATOM 0 HA GLU A 70 5.580 -11.333 6.185 1.00 15.10 H new ATOM 0 HB2 GLU A 70 8.042 -11.830 5.675 1.00 45.11 H new ATOM 0 HB3 GLU A 70 7.893 -13.267 6.667 1.00 45.11 H new ATOM 0 HG2 GLU A 70 6.339 -14.290 5.141 1.00 44.03 H new ATOM 0 HG3 GLU A 70 6.074 -12.787 4.279 1.00 44.03 H new ATOM 1063 N SER A 71 5.658 -13.297 8.809 1.00 10.25 N ATOM 1064 CA SER A 71 4.877 -14.270 9.622 1.00 63.50 C ATOM 1065 C SER A 71 3.513 -13.683 10.064 1.00 14.55 C ATOM 1066 O SER A 71 2.483 -14.352 9.976 1.00 60.23 O ATOM 1067 CB SER A 71 5.691 -14.702 10.865 1.00 41.33 C ATOM 1068 OG SER A 71 6.928 -15.300 10.498 1.00 43.42 O ATOM 0 H SER A 71 6.482 -12.932 9.287 1.00 10.25 H new ATOM 0 HA SER A 71 4.680 -15.140 8.995 1.00 63.50 H new ATOM 0 HB2 SER A 71 5.879 -13.834 11.497 1.00 41.33 H new ATOM 0 HB3 SER A 71 5.107 -15.407 11.457 1.00 41.33 H new ATOM 0 HG SER A 71 7.418 -15.560 11.306 1.00 43.42 H new ATOM 1074 N ALA A 72 3.527 -12.411 10.514 1.00 15.25 N ATOM 1075 CA ALA A 72 2.302 -11.675 10.927 1.00 55.30 C ATOM 1076 C ALA A 72 1.534 -11.102 9.710 1.00 41.05 C ATOM 1077 O ALA A 72 0.408 -10.612 9.861 1.00 15.40 O ATOM 1078 CB ALA A 72 2.664 -10.542 11.905 1.00 54.22 C ATOM 0 H ALA A 72 4.382 -11.862 10.603 1.00 15.25 H new ATOM 0 HA ALA A 72 1.646 -12.388 11.426 1.00 55.30 H new ATOM 0 HB1 ALA A 72 1.758 -10.012 12.199 1.00 54.22 H new ATOM 0 HB2 ALA A 72 3.141 -10.964 12.790 1.00 54.22 H new ATOM 0 HB3 ALA A 72 3.350 -9.847 11.419 1.00 54.22 H new ATOM 1084 N ARG A 73 2.176 -11.162 8.523 1.00 31.22 N ATOM 1085 CA ARG A 73 1.636 -10.640 7.251 1.00 50.12 C ATOM 1086 C ARG A 73 1.383 -9.110 7.311 1.00 12.22 C ATOM 1087 O ARG A 73 0.283 -8.613 7.042 1.00 61.42 O ATOM 1088 CB ARG A 73 0.388 -11.439 6.792 1.00 51.52 C ATOM 1089 CG ARG A 73 0.680 -12.910 6.422 1.00 4.34 C ATOM 1090 CD ARG A 73 -0.570 -13.652 5.914 1.00 0.23 C ATOM 1091 NE ARG A 73 -0.247 -15.011 5.433 1.00 14.43 N ATOM 1092 CZ ARG A 73 -0.566 -16.139 6.035 1.00 52.04 C ATOM 1093 NH1 ARG A 73 -1.225 -16.148 7.157 1.00 55.03 N ATOM 1094 NH2 ARG A 73 -0.204 -17.261 5.509 1.00 54.32 N ATOM 0 H ARG A 73 3.100 -11.582 8.421 1.00 31.22 H new ATOM 0 HA ARG A 73 2.398 -10.789 6.486 1.00 50.12 H new ATOM 0 HB2 ARG A 73 -0.357 -11.417 7.588 1.00 51.52 H new ATOM 0 HB3 ARG A 73 -0.053 -10.939 5.929 1.00 51.52 H new ATOM 0 HG2 ARG A 73 1.453 -12.941 5.655 1.00 4.34 H new ATOM 0 HG3 ARG A 73 1.076 -13.429 7.295 1.00 4.34 H new ATOM 0 HD2 ARG A 73 -1.305 -13.716 6.716 1.00 0.23 H new ATOM 0 HD3 ARG A 73 -1.028 -13.081 5.107 1.00 0.23 H new ATOM 0 HE ARG A 73 0.269 -15.083 4.556 1.00 14.43 H new ATOM 0 HH11 ARG A 73 -1.507 -15.269 7.590 1.00 55.03 H new ATOM 0 HH12 ARG A 73 -1.460 -17.035 7.603 1.00 55.03 H new ATOM 0 HH21 ARG A 73 0.324 -17.268 4.636 1.00 54.32 H new ATOM 0 HH22 ARG A 73 -0.445 -18.140 5.966 1.00 54.32 H new ATOM 1108 N ARG A 74 2.456 -8.388 7.654 1.00 54.13 N ATOM 1109 CA ARG A 74 2.504 -6.919 7.689 1.00 5.43 C ATOM 1110 C ARG A 74 3.777 -6.409 6.965 1.00 33.31 C ATOM 1111 O ARG A 74 4.877 -6.912 7.181 1.00 74.21 O ATOM 1112 CB ARG A 74 2.484 -6.416 9.155 1.00 14.05 C ATOM 1113 CG ARG A 74 2.570 -4.876 9.305 1.00 12.34 C ATOM 1114 CD ARG A 74 2.648 -4.414 10.770 1.00 55.21 C ATOM 1115 NE ARG A 74 1.425 -4.739 11.525 1.00 40.12 N ATOM 1116 CZ ARG A 74 1.113 -4.283 12.720 1.00 54.44 C ATOM 1117 NH1 ARG A 74 1.881 -3.446 13.352 1.00 3.20 N ATOM 1118 NH2 ARG A 74 0.006 -4.667 13.262 1.00 71.23 N ATOM 0 H ARG A 74 3.340 -8.820 7.923 1.00 54.13 H new ATOM 0 HA ARG A 74 1.627 -6.528 7.174 1.00 5.43 H new ATOM 0 HB2 ARG A 74 1.569 -6.765 9.633 1.00 14.05 H new ATOM 0 HB3 ARG A 74 3.317 -6.868 9.693 1.00 14.05 H new ATOM 0 HG2 ARG A 74 3.447 -4.514 8.769 1.00 12.34 H new ATOM 0 HG3 ARG A 74 1.698 -4.422 8.833 1.00 12.34 H new ATOM 0 HD2 ARG A 74 3.505 -4.884 11.252 1.00 55.21 H new ATOM 0 HD3 ARG A 74 2.816 -3.337 10.801 1.00 55.21 H new ATOM 0 HE ARG A 74 0.761 -5.374 11.082 1.00 40.12 H new ATOM 0 HH11 ARG A 74 2.749 -3.127 12.923 1.00 3.20 H new ATOM 0 HH12 ARG A 74 1.615 -3.109 14.277 1.00 3.20 H new ATOM 0 HH21 ARG A 74 -0.608 -5.312 12.765 1.00 71.23 H new ATOM 0 HH22 ARG A 74 -0.254 -4.325 14.187 1.00 71.23 H new ATOM 1132 N LEU A 75 3.600 -5.388 6.132 1.00 30.11 N ATOM 1133 CA LEU A 75 4.661 -4.756 5.325 1.00 14.45 C ATOM 1134 C LEU A 75 4.691 -3.250 5.635 1.00 2.31 C ATOM 1135 O LEU A 75 3.649 -2.623 5.671 1.00 31.45 O ATOM 1136 CB LEU A 75 4.365 -5.002 3.815 1.00 0.31 C ATOM 1137 CG LEU A 75 5.241 -4.210 2.792 1.00 72.20 C ATOM 1138 CD1 LEU A 75 6.730 -4.511 2.982 1.00 71.32 C ATOM 1139 CD2 LEU A 75 4.801 -4.478 1.339 1.00 52.21 C ATOM 0 H LEU A 75 2.687 -4.957 5.989 1.00 30.11 H new ATOM 0 HA LEU A 75 5.633 -5.186 5.566 1.00 14.45 H new ATOM 0 HB2 LEU A 75 4.485 -6.067 3.613 1.00 0.31 H new ATOM 0 HB3 LEU A 75 3.319 -4.758 3.629 1.00 0.31 H new ATOM 0 HG LEU A 75 5.088 -3.149 2.990 1.00 72.20 H new ATOM 0 HD11 LEU A 75 7.311 -3.944 2.255 1.00 71.32 H new ATOM 0 HD12 LEU A 75 7.033 -4.227 3.990 1.00 71.32 H new ATOM 0 HD13 LEU A 75 6.907 -5.577 2.837 1.00 71.32 H new ATOM 0 HD21 LEU A 75 5.433 -3.910 0.657 1.00 52.21 H new ATOM 0 HD22 LEU A 75 4.895 -5.542 1.121 1.00 52.21 H new ATOM 0 HD23 LEU A 75 3.763 -4.172 1.211 1.00 52.21 H new ATOM 1151 N VAL A 76 5.881 -2.674 5.894 1.00 52.13 N ATOM 1152 CA VAL A 76 6.031 -1.215 6.145 1.00 11.23 C ATOM 1153 C VAL A 76 7.215 -0.629 5.335 1.00 13.12 C ATOM 1154 O VAL A 76 8.334 -1.127 5.405 1.00 53.54 O ATOM 1155 CB VAL A 76 6.263 -0.887 7.668 1.00 62.13 C ATOM 1156 CG1 VAL A 76 6.303 0.640 7.920 1.00 52.34 C ATOM 1157 CG2 VAL A 76 5.221 -1.576 8.581 1.00 63.15 C ATOM 0 H VAL A 76 6.758 -3.193 5.936 1.00 52.13 H new ATOM 0 HA VAL A 76 5.094 -0.759 5.826 1.00 11.23 H new ATOM 0 HB VAL A 76 7.239 -1.296 7.931 1.00 62.13 H new ATOM 0 HG11 VAL A 76 6.465 0.830 8.981 1.00 52.34 H new ATOM 0 HG12 VAL A 76 7.116 1.083 7.344 1.00 52.34 H new ATOM 0 HG13 VAL A 76 5.357 1.084 7.612 1.00 52.34 H new ATOM 0 HG21 VAL A 76 5.423 -1.320 9.621 1.00 63.15 H new ATOM 0 HG22 VAL A 76 4.221 -1.238 8.311 1.00 63.15 H new ATOM 0 HG23 VAL A 76 5.285 -2.657 8.455 1.00 63.15 H new ATOM 1167 N TYR A 77 6.959 0.473 4.632 1.00 20.44 N ATOM 1168 CA TYR A 77 7.957 1.189 3.813 1.00 61.23 C ATOM 1169 C TYR A 77 7.762 2.723 3.934 1.00 55.52 C ATOM 1170 O TYR A 77 6.897 3.181 4.664 1.00 45.23 O ATOM 1171 CB TYR A 77 7.891 0.716 2.335 1.00 52.03 C ATOM 1172 CG TYR A 77 6.553 0.965 1.618 1.00 11.40 C ATOM 1173 CD1 TYR A 77 5.517 0.025 1.665 1.00 35.05 C ATOM 1174 CD2 TYR A 77 6.334 2.135 0.885 1.00 3.42 C ATOM 1175 CE1 TYR A 77 4.321 0.245 1.006 1.00 3.34 C ATOM 1176 CE2 TYR A 77 5.145 2.354 0.231 1.00 3.01 C ATOM 1177 CZ TYR A 77 4.140 1.412 0.292 1.00 72.15 C ATOM 1178 OH TYR A 77 2.952 1.638 -0.371 1.00 51.24 O ATOM 0 H TYR A 77 6.037 0.908 4.610 1.00 20.44 H new ATOM 0 HA TYR A 77 8.953 0.954 4.189 1.00 61.23 H new ATOM 0 HB2 TYR A 77 8.681 1.217 1.776 1.00 52.03 H new ATOM 0 HB3 TYR A 77 8.106 -0.352 2.304 1.00 52.03 H new ATOM 0 HD1 TYR A 77 5.654 -0.888 2.226 1.00 35.05 H new ATOM 0 HD2 TYR A 77 7.113 2.881 0.832 1.00 3.42 H new ATOM 0 HE1 TYR A 77 3.533 -0.492 1.050 1.00 3.34 H new ATOM 0 HE2 TYR A 77 4.998 3.264 -0.331 1.00 3.01 H new ATOM 0 HH TYR A 77 2.990 2.507 -0.823 1.00 51.24 H new ATOM 1188 N THR A 78 8.598 3.500 3.229 1.00 43.15 N ATOM 1189 CA THR A 78 8.538 4.987 3.186 1.00 15.52 C ATOM 1190 C THR A 78 8.573 5.481 1.734 1.00 34.10 C ATOM 1191 O THR A 78 8.929 4.727 0.830 1.00 11.35 O ATOM 1192 CB THR A 78 9.728 5.649 3.990 1.00 22.52 C ATOM 1193 OG1 THR A 78 9.694 7.083 3.868 1.00 5.32 O ATOM 1194 CG2 THR A 78 11.105 5.144 3.522 1.00 14.00 C ATOM 0 H THR A 78 9.352 3.115 2.659 1.00 43.15 H new ATOM 0 HA THR A 78 7.601 5.284 3.656 1.00 15.52 H new ATOM 0 HB THR A 78 9.591 5.359 5.032 1.00 22.52 H new ATOM 0 HG1 THR A 78 8.989 7.444 4.445 1.00 5.32 H new ATOM 0 HG21 THR A 78 11.888 5.629 4.105 1.00 14.00 H new ATOM 0 HG22 THR A 78 11.164 4.065 3.662 1.00 14.00 H new ATOM 0 HG23 THR A 78 11.240 5.380 2.467 1.00 14.00 H new ATOM 1202 N MET A 79 8.174 6.743 1.511 1.00 31.25 N ATOM 1203 CA MET A 79 8.351 7.448 0.220 1.00 1.14 C ATOM 1204 C MET A 79 9.429 8.564 0.386 1.00 51.14 C ATOM 1205 O MET A 79 9.089 9.706 0.707 1.00 64.24 O ATOM 1206 CB MET A 79 6.983 8.025 -0.245 1.00 65.33 C ATOM 1207 CG MET A 79 5.909 6.959 -0.540 1.00 45.55 C ATOM 1208 SD MET A 79 4.236 7.644 -0.674 1.00 63.43 S ATOM 1209 CE MET A 79 4.416 8.832 -1.995 1.00 52.32 C ATOM 0 H MET A 79 7.716 7.312 2.223 1.00 31.25 H new ATOM 0 HA MET A 79 8.699 6.758 -0.548 1.00 1.14 H new ATOM 0 HB2 MET A 79 6.607 8.699 0.524 1.00 65.33 H new ATOM 0 HB3 MET A 79 7.141 8.622 -1.143 1.00 65.33 H new ATOM 0 HG2 MET A 79 6.160 6.448 -1.469 1.00 45.55 H new ATOM 0 HG3 MET A 79 5.925 6.209 0.251 1.00 45.55 H new ATOM 0 HE1 MET A 79 4.098 9.815 -1.646 1.00 52.32 H new ATOM 0 HE2 MET A 79 5.460 8.877 -2.304 1.00 52.32 H new ATOM 0 HE3 MET A 79 3.799 8.531 -2.842 1.00 52.32 H new ATOM 1219 N PRO A 80 10.763 8.229 0.235 1.00 10.14 N ATOM 1220 CA PRO A 80 11.880 9.213 0.366 1.00 34.24 C ATOM 1221 C PRO A 80 11.951 10.214 -0.817 1.00 52.12 C ATOM 1222 O PRO A 80 12.474 11.326 -0.669 1.00 74.33 O ATOM 1223 CB PRO A 80 13.138 8.305 0.407 1.00 25.04 C ATOM 1224 CG PRO A 80 12.744 7.111 -0.399 1.00 71.23 C ATOM 1225 CD PRO A 80 11.294 6.868 -0.053 1.00 54.34 C ATOM 0 HA PRO A 80 11.764 9.850 1.243 1.00 34.24 H new ATOM 0 HB2 PRO A 80 14.007 8.806 -0.020 1.00 25.04 H new ATOM 0 HB3 PRO A 80 13.399 8.029 1.429 1.00 25.04 H new ATOM 0 HG2 PRO A 80 12.870 7.296 -1.466 1.00 71.23 H new ATOM 0 HG3 PRO A 80 13.359 6.246 -0.151 1.00 71.23 H new ATOM 0 HD2 PRO A 80 10.760 6.397 -0.878 1.00 54.34 H new ATOM 0 HD3 PRO A 80 11.194 6.209 0.809 1.00 54.34 H new ATOM 1233 N ASP A 81 11.413 9.811 -1.986 1.00 52.54 N ATOM 1234 CA ASP A 81 11.342 10.678 -3.183 1.00 73.44 C ATOM 1235 C ASP A 81 9.868 10.746 -3.688 1.00 40.14 C ATOM 1236 O ASP A 81 9.497 10.052 -4.646 1.00 33.11 O ATOM 1237 CB ASP A 81 12.326 10.159 -4.281 1.00 21.41 C ATOM 1238 CG ASP A 81 12.694 11.223 -5.335 1.00 24.10 C ATOM 1239 OD1 ASP A 81 11.803 11.671 -6.081 1.00 30.23 O ATOM 1240 OD2 ASP A 81 13.875 11.630 -5.406 1.00 4.32 O ATOM 0 H ASP A 81 11.017 8.882 -2.128 1.00 52.54 H new ATOM 0 HA ASP A 81 11.652 11.692 -2.931 1.00 73.44 H new ATOM 0 HB2 ASP A 81 13.238 9.805 -3.801 1.00 21.41 H new ATOM 0 HB3 ASP A 81 11.877 9.302 -4.784 1.00 21.41 H new ATOM 1245 N PRO A 82 8.979 11.541 -2.994 1.00 24.03 N ATOM 1246 CA PRO A 82 7.575 11.734 -3.410 1.00 23.32 C ATOM 1247 C PRO A 82 7.351 13.024 -4.267 1.00 32.21 C ATOM 1248 O PRO A 82 8.084 14.013 -4.119 1.00 52.32 O ATOM 1249 CB PRO A 82 6.868 11.834 -2.039 1.00 61.51 C ATOM 1250 CG PRO A 82 7.856 12.542 -1.144 1.00 32.14 C ATOM 1251 CD PRO A 82 9.247 12.287 -1.728 1.00 11.12 C ATOM 0 HA PRO A 82 7.208 10.940 -4.060 1.00 23.32 H new ATOM 0 HB2 PRO A 82 5.934 12.391 -2.116 1.00 61.51 H new ATOM 0 HB3 PRO A 82 6.619 10.847 -1.650 1.00 61.51 H new ATOM 0 HG2 PRO A 82 7.644 13.610 -1.104 1.00 32.14 H new ATOM 0 HG3 PRO A 82 7.791 12.166 -0.123 1.00 32.14 H new ATOM 0 HD2 PRO A 82 9.776 13.220 -1.920 1.00 11.12 H new ATOM 0 HD3 PRO A 82 9.865 11.704 -1.045 1.00 11.12 H new ATOM 1259 N PRO A 83 6.332 13.034 -5.195 1.00 3.51 N ATOM 1260 CA PRO A 83 5.897 14.284 -5.884 1.00 0.21 C ATOM 1261 C PRO A 83 5.042 15.201 -4.957 1.00 13.44 C ATOM 1262 O PRO A 83 4.704 16.330 -5.321 1.00 32.01 O ATOM 1263 CB PRO A 83 5.068 13.745 -7.078 1.00 71.04 C ATOM 1264 CG PRO A 83 4.503 12.443 -6.583 1.00 55.22 C ATOM 1265 CD PRO A 83 5.573 11.844 -5.682 1.00 34.02 C ATOM 0 HA PRO A 83 6.733 14.915 -6.186 1.00 0.21 H new ATOM 0 HB2 PRO A 83 4.277 14.440 -7.359 1.00 71.04 H new ATOM 0 HB3 PRO A 83 5.691 13.598 -7.960 1.00 71.04 H new ATOM 0 HG2 PRO A 83 3.574 12.603 -6.035 1.00 55.22 H new ATOM 0 HG3 PRO A 83 4.272 11.776 -7.413 1.00 55.22 H new ATOM 0 HD2 PRO A 83 5.134 11.284 -4.857 1.00 34.02 H new ATOM 0 HD3 PRO A 83 6.217 11.155 -6.228 1.00 34.02 H new ATOM 1273 N PHE A 84 4.707 14.683 -3.760 1.00 32.14 N ATOM 1274 CA PHE A 84 3.874 15.372 -2.755 1.00 21.31 C ATOM 1275 C PHE A 84 4.760 16.168 -1.757 1.00 2.01 C ATOM 1276 O PHE A 84 5.849 15.697 -1.394 1.00 20.34 O ATOM 1277 CB PHE A 84 3.007 14.320 -2.006 1.00 13.32 C ATOM 1278 CG PHE A 84 2.248 13.385 -2.952 1.00 24.42 C ATOM 1279 CD1 PHE A 84 1.211 13.866 -3.749 1.00 72.33 C ATOM 1280 CD2 PHE A 84 2.585 12.032 -3.059 1.00 10.10 C ATOM 1281 CE1 PHE A 84 0.536 13.032 -4.619 1.00 13.55 C ATOM 1282 CE2 PHE A 84 1.905 11.196 -3.931 1.00 11.14 C ATOM 1283 CZ PHE A 84 0.882 11.698 -4.710 1.00 64.13 C ATOM 0 H PHE A 84 5.013 13.758 -3.459 1.00 32.14 H new ATOM 0 HA PHE A 84 3.221 16.086 -3.256 1.00 21.31 H new ATOM 0 HB2 PHE A 84 3.649 13.726 -1.355 1.00 13.32 H new ATOM 0 HB3 PHE A 84 2.293 14.837 -1.365 1.00 13.32 H new ATOM 0 HD1 PHE A 84 0.931 14.907 -3.685 1.00 72.33 H new ATOM 0 HD2 PHE A 84 3.386 11.633 -2.454 1.00 10.10 H new ATOM 0 HE1 PHE A 84 -0.264 13.424 -5.229 1.00 13.55 H new ATOM 0 HE2 PHE A 84 2.175 10.153 -4.001 1.00 11.14 H new ATOM 0 HZ PHE A 84 0.352 11.048 -5.390 1.00 64.13 H new ATOM 1293 N PRO A 85 4.306 17.383 -1.291 1.00 63.00 N ATOM 1294 CA PRO A 85 5.092 18.230 -0.357 1.00 11.14 C ATOM 1295 C PRO A 85 5.010 17.734 1.118 1.00 62.40 C ATOM 1296 O PRO A 85 4.349 18.335 1.974 1.00 71.13 O ATOM 1297 CB PRO A 85 4.457 19.627 -0.561 1.00 13.11 C ATOM 1298 CG PRO A 85 3.018 19.342 -0.879 1.00 54.14 C ATOM 1299 CD PRO A 85 3.002 18.024 -1.641 1.00 43.21 C ATOM 0 HA PRO A 85 6.163 18.215 -0.558 1.00 11.14 H new ATOM 0 HB2 PRO A 85 4.552 20.241 0.335 1.00 13.11 H new ATOM 0 HB3 PRO A 85 4.943 20.169 -1.372 1.00 13.11 H new ATOM 0 HG2 PRO A 85 2.425 19.271 0.033 1.00 54.14 H new ATOM 0 HG3 PRO A 85 2.586 20.143 -1.479 1.00 54.14 H new ATOM 0 HD2 PRO A 85 2.159 17.401 -1.342 1.00 43.21 H new ATOM 0 HD3 PRO A 85 2.913 18.186 -2.715 1.00 43.21 H new ATOM 1307 N ILE A 86 5.700 16.610 1.389 1.00 2.00 N ATOM 1308 CA ILE A 86 5.696 15.921 2.704 1.00 61.13 C ATOM 1309 C ILE A 86 7.150 15.680 3.199 1.00 45.40 C ATOM 1310 O ILE A 86 8.055 15.439 2.389 1.00 13.04 O ATOM 1311 CB ILE A 86 4.901 14.557 2.617 1.00 51.10 C ATOM 1312 CG1 ILE A 86 5.510 13.619 1.524 1.00 51.10 C ATOM 1313 CG2 ILE A 86 3.395 14.815 2.354 1.00 12.41 C ATOM 1314 CD1 ILE A 86 4.773 12.310 1.296 1.00 25.33 C ATOM 0 H ILE A 86 6.285 16.145 0.695 1.00 2.00 H new ATOM 0 HA ILE A 86 5.191 16.563 3.426 1.00 61.13 H new ATOM 0 HB ILE A 86 4.994 14.050 3.578 1.00 51.10 H new ATOM 0 HG12 ILE A 86 5.544 14.165 0.581 1.00 51.10 H new ATOM 0 HG13 ILE A 86 6.540 13.392 1.799 1.00 51.10 H new ATOM 0 HG21 ILE A 86 2.867 13.863 2.298 1.00 12.41 H new ATOM 0 HG22 ILE A 86 2.981 15.412 3.166 1.00 12.41 H new ATOM 0 HG23 ILE A 86 3.277 15.352 1.413 1.00 12.41 H new ATOM 0 HD11 ILE A 86 5.280 11.738 0.519 1.00 25.33 H new ATOM 0 HD12 ILE A 86 4.760 11.734 2.221 1.00 25.33 H new ATOM 0 HD13 ILE A 86 3.749 12.518 0.984 1.00 25.33 H new ATOM 1326 N THR A 87 7.370 15.753 4.528 1.00 64.33 N ATOM 1327 CA THR A 87 8.731 15.634 5.125 1.00 55.24 C ATOM 1328 C THR A 87 9.157 14.155 5.296 1.00 53.53 C ATOM 1329 O THR A 87 9.938 13.632 4.493 1.00 0.12 O ATOM 1330 CB THR A 87 8.819 16.393 6.498 1.00 75.33 C ATOM 1331 OG1 THR A 87 8.415 17.764 6.327 1.00 23.22 O ATOM 1332 CG2 THR A 87 10.239 16.359 7.106 1.00 42.32 C ATOM 0 H THR A 87 6.628 15.894 5.214 1.00 64.33 H new ATOM 0 HA THR A 87 9.426 16.102 4.428 1.00 55.24 H new ATOM 0 HB THR A 87 8.149 15.878 7.187 1.00 75.33 H new ATOM 0 HG1 THR A 87 8.470 18.231 7.187 1.00 23.22 H new ATOM 0 HG21 THR A 87 10.242 16.898 8.053 1.00 42.32 H new ATOM 0 HG22 THR A 87 10.537 15.325 7.276 1.00 42.32 H new ATOM 0 HG23 THR A 87 10.941 16.830 6.418 1.00 42.32 H new ATOM 1340 N ASN A 88 8.644 13.479 6.341 1.00 21.44 N ATOM 1341 CA ASN A 88 8.958 12.061 6.607 1.00 15.54 C ATOM 1342 C ASN A 88 7.689 11.197 6.426 1.00 42.03 C ATOM 1343 O ASN A 88 6.743 11.275 7.214 1.00 2.41 O ATOM 1344 CB ASN A 88 9.602 11.896 8.017 1.00 75.10 C ATOM 1345 CG ASN A 88 8.776 12.493 9.157 1.00 11.03 C ATOM 1346 OD1 ASN A 88 8.878 13.680 9.455 1.00 23.11 O ATOM 1347 ND2 ASN A 88 7.966 11.679 9.811 1.00 33.43 N ATOM 0 H ASN A 88 8.006 13.895 7.019 1.00 21.44 H new ATOM 0 HA ASN A 88 9.695 11.710 5.885 1.00 15.54 H new ATOM 0 HB2 ASN A 88 9.756 10.835 8.212 1.00 75.10 H new ATOM 0 HB3 ASN A 88 10.586 12.365 8.012 1.00 75.10 H new ATOM 0 HD21 ASN A 88 7.405 12.032 10.586 1.00 33.43 H new ATOM 0 HD22 ASN A 88 7.902 10.698 9.541 1.00 33.43 H new ATOM 1354 N HIS A 89 7.654 10.436 5.322 1.00 43.20 N ATOM 1355 CA HIS A 89 6.547 9.504 5.008 1.00 42.32 C ATOM 1356 C HIS A 89 6.826 8.073 5.558 1.00 33.25 C ATOM 1357 O HIS A 89 7.970 7.734 5.865 1.00 31.13 O ATOM 1358 CB HIS A 89 6.321 9.471 3.474 1.00 42.13 C ATOM 1359 CG HIS A 89 5.063 8.745 3.063 1.00 10.24 C ATOM 1360 ND1 HIS A 89 5.063 7.399 2.817 1.00 41.05 N ATOM 1361 CD2 HIS A 89 3.803 9.219 2.898 1.00 11.44 C ATOM 1362 CE1 HIS A 89 3.819 7.090 2.515 1.00 12.03 C ATOM 1363 NE2 HIS A 89 3.018 8.157 2.550 1.00 14.41 N ATOM 0 H HIS A 89 8.391 10.445 4.617 1.00 43.20 H new ATOM 0 HA HIS A 89 5.643 9.863 5.499 1.00 42.32 H new ATOM 0 HB2 HIS A 89 6.279 10.494 3.100 1.00 42.13 H new ATOM 0 HB3 HIS A 89 7.178 8.993 2.999 1.00 42.13 H new ATOM 0 HD1 HIS A 89 5.862 6.766 2.859 1.00 41.05 H new ATOM 0 HD2 HIS A 89 3.481 10.243 3.019 1.00 11.44 H new ATOM 0 HE1 HIS A 89 3.487 6.092 2.268 1.00 12.03 H new ATOM 1371 N ARG A 90 5.752 7.267 5.721 1.00 53.41 N ATOM 1372 CA ARG A 90 5.835 5.845 6.123 1.00 74.24 C ATOM 1373 C ARG A 90 4.472 5.129 5.862 1.00 3.12 C ATOM 1374 O ARG A 90 3.511 5.315 6.610 1.00 60.03 O ATOM 1375 CB ARG A 90 6.253 5.738 7.621 1.00 13.24 C ATOM 1376 CG ARG A 90 6.420 4.302 8.166 1.00 41.54 C ATOM 1377 CD ARG A 90 6.902 4.284 9.635 1.00 21.22 C ATOM 1378 NE ARG A 90 6.849 2.933 10.232 1.00 31.32 N ATOM 1379 CZ ARG A 90 5.898 2.485 11.029 1.00 0.20 C ATOM 1380 NH1 ARG A 90 4.879 3.223 11.351 1.00 31.21 N ATOM 1381 NH2 ARG A 90 5.977 1.281 11.490 1.00 74.05 N ATOM 0 H ARG A 90 4.795 7.589 5.576 1.00 53.41 H new ATOM 0 HA ARG A 90 6.595 5.346 5.522 1.00 74.24 H new ATOM 0 HB2 ARG A 90 7.194 6.270 7.756 1.00 13.24 H new ATOM 0 HB3 ARG A 90 5.506 6.253 8.226 1.00 13.24 H new ATOM 0 HG2 ARG A 90 5.469 3.775 8.092 1.00 41.54 H new ATOM 0 HG3 ARG A 90 7.134 3.761 7.545 1.00 41.54 H new ATOM 0 HD2 ARG A 90 7.924 4.659 9.683 1.00 21.22 H new ATOM 0 HD3 ARG A 90 6.286 4.963 10.225 1.00 21.22 H new ATOM 0 HE ARG A 90 7.612 2.293 10.009 1.00 31.32 H new ATOM 0 HH11 ARG A 90 4.801 4.172 10.986 1.00 31.21 H new ATOM 0 HH12 ARG A 90 4.157 2.853 11.969 1.00 31.21 H new ATOM 0 HH21 ARG A 90 6.768 0.689 11.237 1.00 74.05 H new ATOM 0 HH22 ARG A 90 5.248 0.922 12.107 1.00 74.05 H new ATOM 1395 N ALA A 91 4.399 4.328 4.777 1.00 42.55 N ATOM 1396 CA ALA A 91 3.174 3.571 4.392 1.00 0.00 C ATOM 1397 C ALA A 91 3.222 2.091 4.849 1.00 24.14 C ATOM 1398 O ALA A 91 4.291 1.519 4.999 1.00 42.40 O ATOM 1399 CB ALA A 91 2.955 3.650 2.874 1.00 70.31 C ATOM 0 H ALA A 91 5.183 4.184 4.140 1.00 42.55 H new ATOM 0 HA ALA A 91 2.335 4.039 4.906 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.057 3.093 2.606 1.00 70.31 H new ATOM 0 HB2 ALA A 91 2.837 4.692 2.577 1.00 70.31 H new ATOM 0 HB3 ALA A 91 3.815 3.221 2.360 1.00 70.31 H new ATOM 1405 N VAL A 92 2.037 1.474 5.063 1.00 74.22 N ATOM 1406 CA VAL A 92 1.906 0.061 5.534 1.00 22.00 C ATOM 1407 C VAL A 92 0.927 -0.755 4.630 1.00 3.43 C ATOM 1408 O VAL A 92 -0.159 -0.283 4.316 1.00 60.15 O ATOM 1409 CB VAL A 92 1.383 0.012 7.034 1.00 44.54 C ATOM 1410 CG1 VAL A 92 1.269 -1.446 7.569 1.00 5.03 C ATOM 1411 CG2 VAL A 92 2.258 0.884 7.977 1.00 4.30 C ATOM 0 H VAL A 92 1.139 1.936 4.916 1.00 74.22 H new ATOM 0 HA VAL A 92 2.898 -0.387 5.477 1.00 22.00 H new ATOM 0 HB VAL A 92 0.378 0.435 7.026 1.00 44.54 H new ATOM 0 HG11 VAL A 92 0.908 -1.429 8.597 1.00 5.03 H new ATOM 0 HG12 VAL A 92 0.571 -2.008 6.948 1.00 5.03 H new ATOM 0 HG13 VAL A 92 2.248 -1.923 7.536 1.00 5.03 H new ATOM 0 HG21 VAL A 92 1.868 0.824 8.993 1.00 4.30 H new ATOM 0 HG22 VAL A 92 3.285 0.520 7.960 1.00 4.30 H new ATOM 0 HG23 VAL A 92 2.235 1.920 7.640 1.00 4.30 H new ATOM 1421 N LEU A 93 1.343 -1.973 4.214 1.00 72.31 N ATOM 1422 CA LEU A 93 0.463 -3.008 3.606 1.00 44.31 C ATOM 1423 C LEU A 93 0.277 -4.173 4.608 1.00 1.22 C ATOM 1424 O LEU A 93 1.187 -4.970 4.798 1.00 1.41 O ATOM 1425 CB LEU A 93 1.072 -3.575 2.270 1.00 71.41 C ATOM 1426 CG LEU A 93 0.534 -2.994 0.932 1.00 4.32 C ATOM 1427 CD1 LEU A 93 -0.990 -3.165 0.825 1.00 75.03 C ATOM 1428 CD2 LEU A 93 0.964 -1.537 0.727 1.00 4.42 C ATOM 0 H LEU A 93 2.315 -2.273 4.291 1.00 72.31 H new ATOM 0 HA LEU A 93 -0.495 -2.542 3.375 1.00 44.31 H new ATOM 0 HB2 LEU A 93 2.150 -3.415 2.297 1.00 71.41 H new ATOM 0 HB3 LEU A 93 0.910 -4.653 2.258 1.00 71.41 H new ATOM 0 HG LEU A 93 0.984 -3.568 0.122 1.00 4.32 H new ATOM 0 HD11 LEU A 93 -1.337 -2.749 -0.121 1.00 75.03 H new ATOM 0 HD12 LEU A 93 -1.241 -4.225 0.870 1.00 75.03 H new ATOM 0 HD13 LEU A 93 -1.474 -2.642 1.650 1.00 75.03 H new ATOM 0 HD21 LEU A 93 0.567 -1.170 -0.219 1.00 4.42 H new ATOM 0 HD22 LEU A 93 0.579 -0.926 1.543 1.00 4.42 H new ATOM 0 HD23 LEU A 93 2.052 -1.478 0.711 1.00 4.42 H new ATOM 1440 N GLU A 94 -0.907 -4.297 5.207 1.00 71.14 N ATOM 1441 CA GLU A 94 -1.213 -5.402 6.152 1.00 72.12 C ATOM 1442 C GLU A 94 -2.508 -6.114 5.742 1.00 32.45 C ATOM 1443 O GLU A 94 -3.519 -5.465 5.499 1.00 0.14 O ATOM 1444 CB GLU A 94 -1.330 -4.887 7.620 1.00 30.23 C ATOM 1445 CG GLU A 94 -1.698 -5.998 8.641 1.00 64.04 C ATOM 1446 CD GLU A 94 -1.795 -5.523 10.104 1.00 70.32 C ATOM 1447 OE1 GLU A 94 -2.512 -4.538 10.373 1.00 50.44 O ATOM 1448 OE2 GLU A 94 -1.156 -6.138 10.991 1.00 13.40 O ATOM 0 H GLU A 94 -1.681 -3.649 5.062 1.00 71.14 H new ATOM 0 HA GLU A 94 -0.385 -6.109 6.108 1.00 72.12 H new ATOM 0 HB2 GLU A 94 -0.383 -4.434 7.914 1.00 30.23 H new ATOM 0 HB3 GLU A 94 -2.085 -4.102 7.662 1.00 30.23 H new ATOM 0 HG2 GLU A 94 -2.653 -6.436 8.352 1.00 64.04 H new ATOM 0 HG3 GLU A 94 -0.952 -6.790 8.579 1.00 64.04 H new ATOM 1455 N VAL A 95 -2.478 -7.454 5.669 1.00 72.54 N ATOM 1456 CA VAL A 95 -3.681 -8.255 5.382 1.00 61.40 C ATOM 1457 C VAL A 95 -4.259 -8.830 6.703 1.00 52.40 C ATOM 1458 O VAL A 95 -3.638 -9.660 7.376 1.00 21.42 O ATOM 1459 CB VAL A 95 -3.407 -9.373 4.297 1.00 22.43 C ATOM 1460 CG1 VAL A 95 -3.053 -8.720 2.942 1.00 72.31 C ATOM 1461 CG2 VAL A 95 -2.300 -10.363 4.718 1.00 21.11 C ATOM 0 H VAL A 95 -1.632 -8.008 5.805 1.00 72.54 H new ATOM 0 HA VAL A 95 -4.436 -7.603 4.942 1.00 61.40 H new ATOM 0 HB VAL A 95 -4.325 -9.953 4.200 1.00 22.43 H new ATOM 0 HG11 VAL A 95 -2.866 -9.497 2.201 1.00 72.31 H new ATOM 0 HG12 VAL A 95 -3.883 -8.096 2.611 1.00 72.31 H new ATOM 0 HG13 VAL A 95 -2.160 -8.106 3.056 1.00 72.31 H new ATOM 0 HG21 VAL A 95 -2.158 -11.106 3.933 1.00 21.11 H new ATOM 0 HG22 VAL A 95 -1.368 -9.821 4.877 1.00 21.11 H new ATOM 0 HG23 VAL A 95 -2.591 -10.863 5.642 1.00 21.11 H new ATOM 1471 N VAL A 96 -5.436 -8.315 7.088 1.00 62.51 N ATOM 1472 CA VAL A 96 -6.184 -8.742 8.281 1.00 33.13 C ATOM 1473 C VAL A 96 -7.023 -10.006 7.941 1.00 20.14 C ATOM 1474 O VAL A 96 -8.016 -9.908 7.201 1.00 54.12 O ATOM 1475 CB VAL A 96 -7.116 -7.573 8.794 1.00 13.44 C ATOM 1476 CG1 VAL A 96 -8.003 -8.007 9.995 1.00 51.21 C ATOM 1477 CG2 VAL A 96 -6.280 -6.315 9.147 1.00 74.44 C ATOM 0 H VAL A 96 -5.905 -7.574 6.568 1.00 62.51 H new ATOM 0 HA VAL A 96 -5.482 -8.987 9.078 1.00 33.13 H new ATOM 0 HB VAL A 96 -7.792 -7.322 7.976 1.00 13.44 H new ATOM 0 HG11 VAL A 96 -8.624 -7.169 10.310 1.00 51.21 H new ATOM 0 HG12 VAL A 96 -8.640 -8.839 9.695 1.00 51.21 H new ATOM 0 HG13 VAL A 96 -7.367 -8.318 10.823 1.00 51.21 H new ATOM 0 HG21 VAL A 96 -6.943 -5.524 9.498 1.00 74.44 H new ATOM 0 HG22 VAL A 96 -5.564 -6.562 9.931 1.00 74.44 H new ATOM 0 HG23 VAL A 96 -5.745 -5.974 8.261 1.00 74.44 H new ATOM 1487 N PRO A 97 -6.627 -11.219 8.452 1.00 54.43 N ATOM 1488 CA PRO A 97 -7.313 -12.490 8.124 1.00 71.01 C ATOM 1489 C PRO A 97 -8.679 -12.614 8.848 1.00 1.44 C ATOM 1490 O PRO A 97 -8.731 -12.774 10.072 1.00 24.54 O ATOM 1491 CB PRO A 97 -6.296 -13.589 8.589 1.00 31.10 C ATOM 1492 CG PRO A 97 -5.045 -12.840 8.973 1.00 14.10 C ATOM 1493 CD PRO A 97 -5.503 -11.462 9.387 1.00 71.30 C ATOM 0 HA PRO A 97 -7.561 -12.573 7.066 1.00 71.01 H new ATOM 0 HB2 PRO A 97 -6.689 -14.156 9.433 1.00 31.10 H new ATOM 0 HB3 PRO A 97 -6.097 -14.303 7.790 1.00 31.10 H new ATOM 0 HG2 PRO A 97 -4.524 -13.341 9.789 1.00 14.10 H new ATOM 0 HG3 PRO A 97 -4.349 -12.786 8.136 1.00 14.10 H new ATOM 0 HD2 PRO A 97 -5.825 -11.434 10.428 1.00 71.30 H new ATOM 0 HD3 PRO A 97 -4.713 -10.719 9.278 1.00 71.30 H new ATOM 1501 N ARG A 98 -9.778 -12.492 8.085 1.00 54.21 N ATOM 1502 CA ARG A 98 -11.151 -12.679 8.606 1.00 64.40 C ATOM 1503 C ARG A 98 -11.531 -14.173 8.602 1.00 0.25 C ATOM 1504 O ARG A 98 -11.798 -14.767 9.654 1.00 73.52 O ATOM 1505 CB ARG A 98 -12.156 -11.833 7.763 1.00 35.43 C ATOM 1506 CG ARG A 98 -12.018 -10.305 7.971 1.00 74.11 C ATOM 1507 CD ARG A 98 -12.330 -9.888 9.424 1.00 61.01 C ATOM 1508 NE ARG A 98 -12.181 -8.441 9.661 1.00 15.31 N ATOM 1509 CZ ARG A 98 -12.401 -7.836 10.814 1.00 43.12 C ATOM 1510 NH1 ARG A 98 -12.784 -8.497 11.864 1.00 44.41 N ATOM 1511 NH2 ARG A 98 -12.248 -6.559 10.904 1.00 25.41 N ATOM 0 H ARG A 98 -9.745 -12.262 7.092 1.00 54.21 H new ATOM 0 HA ARG A 98 -11.194 -12.332 9.638 1.00 64.40 H new ATOM 0 HB2 ARG A 98 -12.011 -12.061 6.707 1.00 35.43 H new ATOM 0 HB3 ARG A 98 -13.172 -12.134 8.017 1.00 35.43 H new ATOM 0 HG2 ARG A 98 -11.005 -9.994 7.714 1.00 74.11 H new ATOM 0 HG3 ARG A 98 -12.693 -9.784 7.292 1.00 74.11 H new ATOM 0 HD2 ARG A 98 -13.349 -10.186 9.669 1.00 61.01 H new ATOM 0 HD3 ARG A 98 -11.668 -10.430 10.100 1.00 61.01 H new ATOM 0 HE ARG A 98 -11.885 -7.863 8.874 1.00 15.31 H new ATOM 0 HH11 ARG A 98 -12.921 -9.506 11.809 1.00 44.41 H new ATOM 0 HH12 ARG A 98 -12.947 -8.007 12.744 1.00 44.41 H new ATOM 0 HH21 ARG A 98 -11.958 -6.021 10.087 1.00 25.41 H new ATOM 0 HH22 ARG A 98 -12.417 -6.086 11.792 1.00 25.41 H new ATOM 1525 N ASP A 99 -11.523 -14.774 7.406 1.00 51.43 N ATOM 1526 CA ASP A 99 -11.872 -16.190 7.192 1.00 41.43 C ATOM 1527 C ASP A 99 -10.799 -16.883 6.319 1.00 71.50 C ATOM 1528 O ASP A 99 -9.880 -16.237 5.812 1.00 33.13 O ATOM 1529 CB ASP A 99 -13.250 -16.277 6.479 1.00 2.54 C ATOM 1530 CG ASP A 99 -14.351 -15.465 7.173 1.00 41.53 C ATOM 1531 OD1 ASP A 99 -14.896 -15.928 8.192 1.00 41.42 O ATOM 1532 OD2 ASP A 99 -14.670 -14.346 6.701 1.00 3.41 O ATOM 0 H ASP A 99 -11.271 -14.287 6.546 1.00 51.43 H new ATOM 0 HA ASP A 99 -11.920 -16.693 8.158 1.00 41.43 H new ATOM 0 HB2 ASP A 99 -13.142 -15.925 5.453 1.00 2.54 H new ATOM 0 HB3 ASP A 99 -13.558 -17.321 6.427 1.00 2.54 H new ATOM 1537 N ASP A 100 -10.947 -18.207 6.127 1.00 12.33 N ATOM 1538 CA ASP A 100 -10.185 -18.962 5.098 1.00 13.22 C ATOM 1539 C ASP A 100 -10.777 -18.705 3.680 1.00 40.40 C ATOM 1540 O ASP A 100 -10.258 -19.196 2.677 1.00 1.15 O ATOM 1541 CB ASP A 100 -10.195 -20.476 5.425 1.00 24.20 C ATOM 1542 CG ASP A 100 -9.591 -20.782 6.805 1.00 32.35 C ATOM 1543 OD1 ASP A 100 -8.348 -20.793 6.938 1.00 12.33 O ATOM 1544 OD2 ASP A 100 -10.355 -20.985 7.777 1.00 52.20 O ATOM 0 H ASP A 100 -11.589 -18.784 6.671 1.00 12.33 H new ATOM 0 HA ASP A 100 -9.153 -18.612 5.106 1.00 13.22 H new ATOM 0 HB2 ASP A 100 -11.220 -20.846 5.390 1.00 24.20 H new ATOM 0 HB3 ASP A 100 -9.636 -21.014 4.659 1.00 24.20 H new ATOM 1549 N ARG A 101 -11.893 -17.954 3.633 1.00 0.11 N ATOM 1550 CA ARG A 101 -12.555 -17.504 2.392 1.00 30.22 C ATOM 1551 C ARG A 101 -12.374 -15.982 2.145 1.00 14.40 C ATOM 1552 O ARG A 101 -12.472 -15.537 1.003 1.00 44.23 O ATOM 1553 CB ARG A 101 -14.082 -17.889 2.436 1.00 3.13 C ATOM 1554 CG ARG A 101 -14.514 -18.970 1.408 1.00 55.52 C ATOM 1555 CD ARG A 101 -14.764 -18.418 -0.023 1.00 33.20 C ATOM 1556 NE ARG A 101 -13.593 -17.734 -0.617 1.00 63.31 N ATOM 1557 CZ ARG A 101 -12.568 -18.326 -1.191 1.00 42.32 C ATOM 1558 NH1 ARG A 101 -12.458 -19.620 -1.221 1.00 12.43 N ATOM 1559 NH2 ARG A 101 -11.635 -17.609 -1.718 1.00 51.22 N ATOM 0 H ARG A 101 -12.371 -17.635 4.476 1.00 0.11 H new ATOM 0 HA ARG A 101 -12.078 -18.013 1.555 1.00 30.22 H new ATOM 0 HB2 ARG A 101 -14.323 -18.244 3.438 1.00 3.13 H new ATOM 0 HB3 ARG A 101 -14.674 -16.989 2.266 1.00 3.13 H new ATOM 0 HG2 ARG A 101 -13.743 -19.739 1.360 1.00 55.52 H new ATOM 0 HG3 ARG A 101 -15.424 -19.452 1.764 1.00 55.52 H new ATOM 0 HD2 ARG A 101 -15.059 -19.242 -0.673 1.00 33.20 H new ATOM 0 HD3 ARG A 101 -15.602 -17.721 0.009 1.00 33.20 H new ATOM 0 HE ARG A 101 -13.580 -16.715 -0.578 1.00 63.31 H new ATOM 0 HH11 ARG A 101 -13.177 -20.203 -0.793 1.00 12.43 H new ATOM 0 HH12 ARG A 101 -11.653 -20.053 -1.673 1.00 12.43 H new ATOM 0 HH21 ARG A 101 -11.695 -16.591 -1.688 1.00 51.22 H new ATOM 0 HH22 ARG A 101 -10.837 -18.060 -2.165 1.00 51.22 H new ATOM 1573 N HIS A 102 -12.125 -15.184 3.208 1.00 52.25 N ATOM 1574 CA HIS A 102 -12.098 -13.693 3.110 1.00 40.22 C ATOM 1575 C HIS A 102 -10.899 -13.083 3.875 1.00 22.24 C ATOM 1576 O HIS A 102 -10.432 -13.634 4.871 1.00 41.34 O ATOM 1577 CB HIS A 102 -13.424 -13.080 3.654 1.00 62.44 C ATOM 1578 CG HIS A 102 -14.676 -13.542 2.943 1.00 23.04 C ATOM 1579 ND1 HIS A 102 -15.729 -14.152 3.589 1.00 35.31 N ATOM 1580 CD2 HIS A 102 -15.034 -13.484 1.634 1.00 3.22 C ATOM 1581 CE1 HIS A 102 -16.669 -14.452 2.717 1.00 4.44 C ATOM 1582 NE2 HIS A 102 -16.271 -14.063 1.530 1.00 22.41 N ATOM 0 H HIS A 102 -11.939 -15.540 4.146 1.00 52.25 H new ATOM 0 HA HIS A 102 -11.989 -13.449 2.053 1.00 40.22 H new ATOM 0 HB2 HIS A 102 -13.513 -13.325 4.712 1.00 62.44 H new ATOM 0 HB3 HIS A 102 -13.362 -11.994 3.582 1.00 62.44 H new ATOM 0 HD1 HIS A 102 -15.774 -14.342 4.590 1.00 35.31 H new ATOM 0 HD2 HIS A 102 -14.453 -13.061 0.828 1.00 3.22 H new ATOM 0 HE1 HIS A 102 -17.608 -14.936 2.941 1.00 4.44 H new ATOM 1591 N CYS A 103 -10.427 -11.921 3.394 1.00 24.34 N ATOM 1592 CA CYS A 103 -9.364 -11.117 4.043 1.00 30.13 C ATOM 1593 C CYS A 103 -9.656 -9.605 3.869 1.00 0.44 C ATOM 1594 O CYS A 103 -10.613 -9.225 3.184 1.00 13.11 O ATOM 1595 CB CYS A 103 -7.988 -11.483 3.442 1.00 35.34 C ATOM 1596 SG CYS A 103 -6.593 -10.633 4.206 1.00 30.33 S ATOM 0 H CYS A 103 -10.775 -11.503 2.531 1.00 24.34 H new ATOM 0 HA CYS A 103 -9.347 -11.340 5.110 1.00 30.13 H new ATOM 0 HB2 CYS A 103 -7.838 -12.559 3.536 1.00 35.34 H new ATOM 0 HB3 CYS A 103 -7.998 -11.254 2.376 1.00 35.34 H new ATOM 0 HG CYS A 103 -6.124 -9.742 3.383 1.00 30.33 H new ATOM 1602 N THR A 104 -8.854 -8.742 4.515 1.00 62.14 N ATOM 1603 CA THR A 104 -8.979 -7.269 4.391 1.00 3.13 C ATOM 1604 C THR A 104 -7.593 -6.613 4.222 1.00 70.44 C ATOM 1605 O THR A 104 -6.755 -6.718 5.109 1.00 52.34 O ATOM 1606 CB THR A 104 -9.697 -6.654 5.647 1.00 14.41 C ATOM 1607 OG1 THR A 104 -11.013 -7.222 5.811 1.00 41.03 O ATOM 1608 CG2 THR A 104 -9.826 -5.118 5.566 1.00 31.14 C ATOM 0 H THR A 104 -8.102 -9.038 5.137 1.00 62.14 H new ATOM 0 HA THR A 104 -9.582 -7.067 3.505 1.00 3.13 H new ATOM 0 HB THR A 104 -9.070 -6.898 6.505 1.00 14.41 H new ATOM 0 HG1 THR A 104 -11.443 -6.828 6.598 1.00 41.03 H new ATOM 0 HG21 THR A 104 -10.329 -4.748 6.459 1.00 31.14 H new ATOM 0 HG22 THR A 104 -8.834 -4.673 5.498 1.00 31.14 H new ATOM 0 HG23 THR A 104 -10.407 -4.848 4.684 1.00 31.14 H new ATOM 1616 N VAL A 105 -7.359 -5.915 3.094 1.00 64.41 N ATOM 1617 CA VAL A 105 -6.064 -5.234 2.841 1.00 31.43 C ATOM 1618 C VAL A 105 -6.116 -3.782 3.358 1.00 42.22 C ATOM 1619 O VAL A 105 -6.853 -2.951 2.825 1.00 5.14 O ATOM 1620 CB VAL A 105 -5.670 -5.232 1.323 1.00 50.33 C ATOM 1621 CG1 VAL A 105 -4.243 -4.663 1.113 1.00 73.52 C ATOM 1622 CG2 VAL A 105 -5.788 -6.635 0.718 1.00 70.40 C ATOM 0 H VAL A 105 -8.042 -5.805 2.345 1.00 64.41 H new ATOM 0 HA VAL A 105 -5.302 -5.798 3.379 1.00 31.43 H new ATOM 0 HB VAL A 105 -6.372 -4.580 0.804 1.00 50.33 H new ATOM 0 HG11 VAL A 105 -3.999 -4.675 0.051 1.00 73.52 H new ATOM 0 HG12 VAL A 105 -4.202 -3.639 1.483 1.00 73.52 H new ATOM 0 HG13 VAL A 105 -3.524 -5.275 1.657 1.00 73.52 H new ATOM 0 HG21 VAL A 105 -5.508 -6.602 -0.335 1.00 70.40 H new ATOM 0 HG22 VAL A 105 -5.124 -7.317 1.249 1.00 70.40 H new ATOM 0 HG23 VAL A 105 -6.816 -6.985 0.810 1.00 70.40 H new ATOM 1632 N VAL A 106 -5.322 -3.506 4.395 1.00 62.33 N ATOM 1633 CA VAL A 106 -5.206 -2.185 5.024 1.00 11.42 C ATOM 1634 C VAL A 106 -3.953 -1.456 4.481 1.00 1.45 C ATOM 1635 O VAL A 106 -2.819 -1.859 4.770 1.00 64.42 O ATOM 1636 CB VAL A 106 -5.109 -2.317 6.591 1.00 53.33 C ATOM 1637 CG1 VAL A 106 -5.053 -0.928 7.283 1.00 61.01 C ATOM 1638 CG2 VAL A 106 -6.269 -3.181 7.148 1.00 62.43 C ATOM 0 H VAL A 106 -4.727 -4.210 4.832 1.00 62.33 H new ATOM 0 HA VAL A 106 -6.098 -1.607 4.782 1.00 11.42 H new ATOM 0 HB VAL A 106 -4.173 -2.826 6.820 1.00 53.33 H new ATOM 0 HG11 VAL A 106 -4.987 -1.062 8.363 1.00 61.01 H new ATOM 0 HG12 VAL A 106 -4.179 -0.381 6.931 1.00 61.01 H new ATOM 0 HG13 VAL A 106 -5.955 -0.365 7.042 1.00 61.01 H new ATOM 0 HG21 VAL A 106 -6.179 -3.256 8.232 1.00 62.43 H new ATOM 0 HG22 VAL A 106 -7.222 -2.717 6.895 1.00 62.43 H new ATOM 0 HG23 VAL A 106 -6.223 -4.178 6.710 1.00 62.43 H new ATOM 1648 N TRP A 107 -4.170 -0.401 3.678 1.00 62.35 N ATOM 1649 CA TRP A 107 -3.089 0.448 3.150 1.00 2.14 C ATOM 1650 C TRP A 107 -3.105 1.814 3.891 1.00 43.21 C ATOM 1651 O TRP A 107 -4.031 2.612 3.734 1.00 32.01 O ATOM 1652 CB TRP A 107 -3.239 0.622 1.611 1.00 34.44 C ATOM 1653 CG TRP A 107 -1.982 1.066 0.880 1.00 71.35 C ATOM 1654 CD1 TRP A 107 -0.788 1.480 1.421 1.00 23.11 C ATOM 1655 CD2 TRP A 107 -1.812 1.135 -0.544 1.00 44.31 C ATOM 1656 NE1 TRP A 107 0.099 1.792 0.425 1.00 71.42 N ATOM 1657 CE2 TRP A 107 -0.504 1.594 -0.788 1.00 12.54 C ATOM 1658 CE3 TRP A 107 -2.644 0.858 -1.634 1.00 74.22 C ATOM 1659 CZ2 TRP A 107 -0.004 1.771 -2.077 1.00 11.14 C ATOM 1660 CZ3 TRP A 107 -2.150 1.042 -2.912 1.00 3.51 C ATOM 1661 CH2 TRP A 107 -0.841 1.499 -3.125 1.00 54.43 C ATOM 0 H TRP A 107 -5.101 -0.113 3.376 1.00 62.35 H new ATOM 0 HA TRP A 107 -2.124 -0.027 3.326 1.00 2.14 H new ATOM 0 HB2 TRP A 107 -3.571 -0.325 1.186 1.00 34.44 H new ATOM 0 HB3 TRP A 107 -4.027 1.351 1.420 1.00 34.44 H new ATOM 0 HD1 TRP A 107 -0.579 1.549 2.478 1.00 23.11 H new ATOM 0 HE1 TRP A 107 1.055 2.119 0.565 1.00 71.42 H new ATOM 0 HE3 TRP A 107 -3.654 0.507 -1.480 1.00 74.22 H new ATOM 0 HZ2 TRP A 107 1.008 2.111 -2.243 1.00 11.14 H new ATOM 0 HZ3 TRP A 107 -2.783 0.830 -3.761 1.00 3.51 H new ATOM 0 HH2 TRP A 107 -0.487 1.639 -4.136 1.00 54.43 H new ATOM 1672 N THR A 108 -2.066 2.054 4.699 1.00 73.32 N ATOM 1673 CA THR A 108 -1.938 3.260 5.560 1.00 45.31 C ATOM 1674 C THR A 108 -0.823 4.184 5.013 1.00 73.03 C ATOM 1675 O THR A 108 0.122 3.694 4.425 1.00 13.52 O ATOM 1676 CB THR A 108 -1.610 2.830 7.040 1.00 44.21 C ATOM 1677 OG1 THR A 108 -2.631 1.937 7.522 1.00 53.45 O ATOM 1678 CG2 THR A 108 -1.491 4.024 8.011 1.00 20.31 C ATOM 0 H THR A 108 -1.275 1.415 4.782 1.00 73.32 H new ATOM 0 HA THR A 108 -2.882 3.805 5.552 1.00 45.31 H new ATOM 0 HB THR A 108 -0.638 2.337 7.012 1.00 44.21 H new ATOM 0 HG1 THR A 108 -2.424 1.670 8.442 1.00 53.45 H new ATOM 0 HG21 THR A 108 -1.264 3.658 9.012 1.00 20.31 H new ATOM 0 HG22 THR A 108 -0.692 4.686 7.677 1.00 20.31 H new ATOM 0 HG23 THR A 108 -2.433 4.573 8.030 1.00 20.31 H new ATOM 1686 N ALA A 109 -0.967 5.518 5.165 1.00 42.01 N ATOM 1687 CA ALA A 109 0.086 6.513 4.820 1.00 11.51 C ATOM 1688 C ALA A 109 0.293 7.526 5.969 1.00 62.53 C ATOM 1689 O ALA A 109 -0.578 8.348 6.245 1.00 0.43 O ATOM 1690 CB ALA A 109 -0.277 7.255 3.520 1.00 70.01 C ATOM 0 H ALA A 109 -1.819 5.943 5.532 1.00 42.01 H new ATOM 0 HA ALA A 109 1.020 5.972 4.669 1.00 11.51 H new ATOM 0 HB1 ALA A 109 0.504 7.978 3.284 1.00 70.01 H new ATOM 0 HB2 ALA A 109 -0.366 6.538 2.704 1.00 70.01 H new ATOM 0 HB3 ALA A 109 -1.226 7.775 3.651 1.00 70.01 H new ATOM 1696 N MET A 110 1.454 7.458 6.632 1.00 74.04 N ATOM 1697 CA MET A 110 1.857 8.413 7.692 1.00 43.24 C ATOM 1698 C MET A 110 2.795 9.458 7.089 1.00 64.14 C ATOM 1699 O MET A 110 3.737 9.087 6.404 1.00 2.21 O ATOM 1700 CB MET A 110 2.593 7.667 8.834 1.00 64.22 C ATOM 1701 CG MET A 110 1.797 6.507 9.408 1.00 75.41 C ATOM 1702 SD MET A 110 2.738 5.519 10.591 1.00 14.23 S ATOM 1703 CE MET A 110 1.572 4.196 10.920 1.00 74.34 C ATOM 0 H MET A 110 2.151 6.736 6.452 1.00 74.04 H new ATOM 0 HA MET A 110 0.967 8.894 8.098 1.00 43.24 H new ATOM 0 HB2 MET A 110 3.546 7.294 8.459 1.00 64.22 H new ATOM 0 HB3 MET A 110 2.819 8.373 9.633 1.00 64.22 H new ATOM 0 HG2 MET A 110 0.903 6.894 9.897 1.00 75.41 H new ATOM 0 HG3 MET A 110 1.462 5.865 8.593 1.00 75.41 H new ATOM 0 HE1 MET A 110 2.006 3.498 11.636 1.00 74.34 H new ATOM 0 HE2 MET A 110 0.654 4.614 11.332 1.00 74.34 H new ATOM 0 HE3 MET A 110 1.347 3.670 9.992 1.00 74.34 H new ATOM 1713 N PHE A 111 2.548 10.746 7.332 1.00 55.30 N ATOM 1714 CA PHE A 111 3.454 11.812 6.854 1.00 65.14 C ATOM 1715 C PHE A 111 3.326 13.099 7.675 1.00 61.41 C ATOM 1716 O PHE A 111 2.246 13.451 8.132 1.00 41.31 O ATOM 1717 CB PHE A 111 3.256 12.092 5.328 1.00 22.24 C ATOM 1718 CG PHE A 111 1.808 12.345 4.882 1.00 2.20 C ATOM 1719 CD1 PHE A 111 1.199 13.587 5.065 1.00 50.04 C ATOM 1720 CD2 PHE A 111 1.063 11.336 4.268 1.00 64.34 C ATOM 1721 CE1 PHE A 111 -0.098 13.809 4.654 1.00 61.51 C ATOM 1722 CE2 PHE A 111 -0.233 11.561 3.855 1.00 75.44 C ATOM 1723 CZ PHE A 111 -0.814 12.799 4.048 1.00 31.24 C ATOM 0 H PHE A 111 1.738 11.083 7.852 1.00 55.30 H new ATOM 0 HA PHE A 111 4.470 11.444 6.998 1.00 65.14 H new ATOM 0 HB2 PHE A 111 3.858 12.959 5.055 1.00 22.24 H new ATOM 0 HB3 PHE A 111 3.647 11.243 4.767 1.00 22.24 H new ATOM 0 HD1 PHE A 111 1.752 14.386 5.536 1.00 50.04 H new ATOM 0 HD2 PHE A 111 1.509 10.364 4.114 1.00 64.34 H new ATOM 0 HE1 PHE A 111 -0.554 14.776 4.807 1.00 61.51 H new ATOM 0 HE2 PHE A 111 -0.794 10.769 3.381 1.00 75.44 H new ATOM 0 HZ PHE A 111 -1.829 12.976 3.724 1.00 31.24 H new ATOM 1733 N ASP A 112 4.455 13.797 7.866 1.00 12.11 N ATOM 1734 CA ASP A 112 4.483 15.104 8.544 1.00 35.21 C ATOM 1735 C ASP A 112 4.313 16.249 7.526 1.00 52.14 C ATOM 1736 O ASP A 112 5.283 16.743 6.938 1.00 0.03 O ATOM 1737 CB ASP A 112 5.779 15.240 9.383 1.00 24.43 C ATOM 1738 CG ASP A 112 5.711 14.403 10.679 1.00 31.34 C ATOM 1739 OD1 ASP A 112 5.599 13.162 10.589 1.00 32.44 O ATOM 1740 OD2 ASP A 112 5.726 14.985 11.782 1.00 23.40 O ATOM 0 H ASP A 112 5.372 13.474 7.557 1.00 12.11 H new ATOM 0 HA ASP A 112 3.642 15.172 9.234 1.00 35.21 H new ATOM 0 HB2 ASP A 112 6.634 14.919 8.787 1.00 24.43 H new ATOM 0 HB3 ASP A 112 5.941 16.288 9.635 1.00 24.43 H new ATOM 1745 N CYS A 113 3.039 16.584 7.268 1.00 15.33 N ATOM 1746 CA CYS A 113 2.638 17.735 6.422 1.00 71.44 C ATOM 1747 C CYS A 113 1.506 18.560 7.088 1.00 43.02 C ATOM 1748 O CYS A 113 0.907 18.132 8.078 1.00 22.42 O ATOM 1749 CB CYS A 113 2.187 17.229 5.035 1.00 22.11 C ATOM 1750 SG CYS A 113 1.693 18.531 3.890 1.00 32.20 S ATOM 0 H CYS A 113 2.246 16.063 7.641 1.00 15.33 H new ATOM 0 HA CYS A 113 3.501 18.391 6.306 1.00 71.44 H new ATOM 0 HB2 CYS A 113 3.001 16.659 4.588 1.00 22.11 H new ATOM 0 HB3 CYS A 113 1.351 16.542 5.167 1.00 22.11 H new ATOM 0 HG CYS A 113 2.609 18.678 2.979 1.00 32.20 H new ATOM 1756 N SER A 114 1.227 19.749 6.516 1.00 11.00 N ATOM 1757 CA SER A 114 0.183 20.683 7.008 1.00 62.01 C ATOM 1758 C SER A 114 -1.251 20.123 6.801 1.00 4.51 C ATOM 1759 O SER A 114 -1.490 19.433 5.814 1.00 3.10 O ATOM 1760 CB SER A 114 0.330 22.034 6.276 1.00 40.21 C ATOM 1761 OG SER A 114 1.613 22.596 6.501 1.00 34.50 O ATOM 0 H SER A 114 1.721 20.094 5.693 1.00 11.00 H new ATOM 0 HA SER A 114 0.326 20.814 8.081 1.00 62.01 H new ATOM 0 HB2 SER A 114 0.174 21.891 5.207 1.00 40.21 H new ATOM 0 HB3 SER A 114 -0.439 22.725 6.621 1.00 40.21 H new ATOM 0 HG SER A 114 1.684 23.450 6.026 1.00 34.50 H new ATOM 1767 N PRO A 115 -2.235 20.432 7.722 1.00 34.31 N ATOM 1768 CA PRO A 115 -3.629 19.882 7.658 1.00 1.22 C ATOM 1769 C PRO A 115 -4.377 20.189 6.331 1.00 54.42 C ATOM 1770 O PRO A 115 -5.066 19.320 5.788 1.00 64.52 O ATOM 1771 CB PRO A 115 -4.341 20.556 8.863 1.00 73.54 C ATOM 1772 CG PRO A 115 -3.232 20.928 9.799 1.00 72.52 C ATOM 1773 CD PRO A 115 -2.078 21.325 8.906 1.00 41.22 C ATOM 0 HA PRO A 115 -3.618 18.793 7.697 1.00 1.22 H new ATOM 0 HB2 PRO A 115 -4.906 21.434 8.549 1.00 73.54 H new ATOM 0 HB3 PRO A 115 -5.048 19.875 9.337 1.00 73.54 H new ATOM 0 HG2 PRO A 115 -3.526 21.750 10.452 1.00 72.52 H new ATOM 0 HG3 PRO A 115 -2.962 20.091 10.443 1.00 72.52 H new ATOM 0 HD2 PRO A 115 -2.130 22.377 8.626 1.00 41.22 H new ATOM 0 HD3 PRO A 115 -1.118 21.174 9.399 1.00 41.22 H new ATOM 1781 N GLU A 116 -4.224 21.431 5.819 1.00 0.14 N ATOM 1782 CA GLU A 116 -4.834 21.871 4.533 1.00 51.13 C ATOM 1783 C GLU A 116 -4.330 21.024 3.337 1.00 10.13 C ATOM 1784 O GLU A 116 -5.109 20.613 2.472 1.00 30.44 O ATOM 1785 CB GLU A 116 -4.528 23.371 4.280 1.00 62.44 C ATOM 1786 CG GLU A 116 -5.149 23.939 2.986 1.00 2.13 C ATOM 1787 CD GLU A 116 -4.818 25.421 2.755 1.00 33.51 C ATOM 1788 OE1 GLU A 116 -5.551 26.295 3.270 1.00 52.44 O ATOM 1789 OE2 GLU A 116 -3.821 25.722 2.064 1.00 53.52 O ATOM 0 H GLU A 116 -3.677 22.158 6.280 1.00 0.14 H new ATOM 0 HA GLU A 116 -5.911 21.727 4.616 1.00 51.13 H new ATOM 0 HB2 GLU A 116 -4.891 23.951 5.128 1.00 62.44 H new ATOM 0 HB3 GLU A 116 -3.447 23.507 4.240 1.00 62.44 H new ATOM 0 HG2 GLU A 116 -4.794 23.357 2.135 1.00 2.13 H new ATOM 0 HG3 GLU A 116 -6.231 23.817 3.026 1.00 2.13 H new ATOM 1796 N THR A 117 -3.016 20.768 3.303 1.00 63.14 N ATOM 1797 CA THR A 117 -2.394 19.929 2.260 1.00 14.52 C ATOM 1798 C THR A 117 -2.765 18.438 2.461 1.00 24.14 C ATOM 1799 O THR A 117 -3.019 17.723 1.497 1.00 63.31 O ATOM 1800 CB THR A 117 -0.838 20.092 2.248 1.00 74.04 C ATOM 1801 OG1 THR A 117 -0.484 21.490 2.225 1.00 13.02 O ATOM 1802 CG2 THR A 117 -0.191 19.379 1.039 1.00 10.44 C ATOM 0 H THR A 117 -2.355 21.131 3.990 1.00 63.14 H new ATOM 0 HA THR A 117 -2.781 20.265 1.298 1.00 14.52 H new ATOM 0 HB THR A 117 -0.458 19.627 3.158 1.00 74.04 H new ATOM 0 HG1 THR A 117 0.492 21.580 2.219 1.00 13.02 H new ATOM 0 HG21 THR A 117 0.890 19.518 1.070 1.00 10.44 H new ATOM 0 HG22 THR A 117 -0.421 18.314 1.079 1.00 10.44 H new ATOM 0 HG23 THR A 117 -0.584 19.801 0.114 1.00 10.44 H new ATOM 1810 N ALA A 118 -2.847 18.005 3.734 1.00 50.53 N ATOM 1811 CA ALA A 118 -3.121 16.595 4.107 1.00 42.34 C ATOM 1812 C ALA A 118 -4.552 16.151 3.717 1.00 10.13 C ATOM 1813 O ALA A 118 -4.750 15.015 3.279 1.00 62.23 O ATOM 1814 CB ALA A 118 -2.887 16.388 5.612 1.00 1.11 C ATOM 0 H ALA A 118 -2.725 18.621 4.538 1.00 50.53 H new ATOM 0 HA ALA A 118 -2.427 15.970 3.545 1.00 42.34 H new ATOM 0 HB1 ALA A 118 -3.092 15.350 5.873 1.00 1.11 H new ATOM 0 HB2 ALA A 118 -1.852 16.626 5.855 1.00 1.11 H new ATOM 0 HB3 ALA A 118 -3.552 17.041 6.177 1.00 1.11 H new ATOM 1820 N ARG A 119 -5.539 17.062 3.869 1.00 31.13 N ATOM 1821 CA ARG A 119 -6.945 16.787 3.479 1.00 65.34 C ATOM 1822 C ARG A 119 -7.114 16.757 1.939 1.00 24.30 C ATOM 1823 O ARG A 119 -7.999 16.069 1.416 1.00 24.11 O ATOM 1824 CB ARG A 119 -7.931 17.795 4.144 1.00 44.12 C ATOM 1825 CG ARG A 119 -7.675 19.305 3.833 1.00 41.35 C ATOM 1826 CD ARG A 119 -8.856 20.016 3.126 1.00 0.21 C ATOM 1827 NE ARG A 119 -9.074 19.516 1.753 1.00 4.05 N ATOM 1828 CZ ARG A 119 -10.129 18.845 1.329 1.00 41.45 C ATOM 1829 NH1 ARG A 119 -11.098 18.521 2.134 1.00 42.54 N ATOM 1830 NH2 ARG A 119 -10.189 18.485 0.096 1.00 14.12 N ATOM 0 H ARG A 119 -5.391 17.993 4.258 1.00 31.13 H new ATOM 0 HA ARG A 119 -7.196 15.794 3.851 1.00 65.34 H new ATOM 0 HB2 ARG A 119 -8.944 17.545 3.828 1.00 44.12 H new ATOM 0 HB3 ARG A 119 -7.891 17.654 5.224 1.00 44.12 H new ATOM 0 HG2 ARG A 119 -7.458 19.825 4.766 1.00 41.35 H new ATOM 0 HG3 ARG A 119 -6.787 19.390 3.207 1.00 41.35 H new ATOM 0 HD2 ARG A 119 -9.765 19.873 3.710 1.00 0.21 H new ATOM 0 HD3 ARG A 119 -8.664 21.088 3.093 1.00 0.21 H new ATOM 0 HE ARG A 119 -8.342 19.707 1.069 1.00 4.05 H new ATOM 0 HH11 ARG A 119 -11.054 18.786 3.118 1.00 42.54 H new ATOM 0 HH12 ARG A 119 -11.902 18.002 1.781 1.00 42.54 H new ATOM 0 HH21 ARG A 119 -9.427 18.718 -0.541 1.00 14.12 H new ATOM 0 HH22 ARG A 119 -10.998 17.966 -0.245 1.00 14.12 H new ATOM 1844 N GLU A 120 -6.261 17.511 1.219 1.00 25.12 N ATOM 1845 CA GLU A 120 -6.141 17.399 -0.253 1.00 62.05 C ATOM 1846 C GLU A 120 -5.567 16.008 -0.636 1.00 52.23 C ATOM 1847 O GLU A 120 -6.053 15.347 -1.559 1.00 34.11 O ATOM 1848 CB GLU A 120 -5.227 18.525 -0.800 1.00 45.32 C ATOM 1849 CG GLU A 120 -4.996 18.488 -2.326 1.00 31.50 C ATOM 1850 CD GLU A 120 -4.045 19.592 -2.819 1.00 65.34 C ATOM 1851 OE1 GLU A 120 -2.811 19.409 -2.724 1.00 74.41 O ATOM 1852 OE2 GLU A 120 -4.522 20.645 -3.299 1.00 14.53 O ATOM 0 H GLU A 120 -5.641 18.208 1.632 1.00 25.12 H new ATOM 0 HA GLU A 120 -7.131 17.505 -0.697 1.00 62.05 H new ATOM 0 HB2 GLU A 120 -5.664 19.488 -0.536 1.00 45.32 H new ATOM 0 HB3 GLU A 120 -4.261 18.465 -0.299 1.00 45.32 H new ATOM 0 HG2 GLU A 120 -4.588 17.516 -2.602 1.00 31.50 H new ATOM 0 HG3 GLU A 120 -5.955 18.588 -2.835 1.00 31.50 H new ATOM 1859 N LEU A 121 -4.552 15.570 0.137 1.00 75.45 N ATOM 1860 CA LEU A 121 -3.858 14.285 -0.067 1.00 24.24 C ATOM 1861 C LEU A 121 -4.746 13.076 0.306 1.00 0.02 C ATOM 1862 O LEU A 121 -4.489 11.973 -0.161 1.00 64.55 O ATOM 1863 CB LEU A 121 -2.516 14.250 0.717 1.00 74.04 C ATOM 1864 CG LEU A 121 -1.430 15.277 0.255 1.00 20.24 C ATOM 1865 CD1 LEU A 121 -0.154 15.176 1.122 1.00 45.42 C ATOM 1866 CD2 LEU A 121 -1.112 15.111 -1.248 1.00 50.44 C ATOM 0 H LEU A 121 -4.189 16.104 0.927 1.00 75.45 H new ATOM 0 HA LEU A 121 -3.639 14.205 -1.132 1.00 24.24 H new ATOM 0 HB2 LEU A 121 -2.729 14.425 1.772 1.00 74.04 H new ATOM 0 HB3 LEU A 121 -2.097 13.247 0.638 1.00 74.04 H new ATOM 0 HG LEU A 121 -1.837 16.278 0.396 1.00 20.24 H new ATOM 0 HD11 LEU A 121 0.580 15.903 0.775 1.00 45.42 H new ATOM 0 HD12 LEU A 121 -0.404 15.382 2.163 1.00 45.42 H new ATOM 0 HD13 LEU A 121 0.263 14.172 1.041 1.00 45.42 H new ATOM 0 HD21 LEU A 121 -0.354 15.837 -1.542 1.00 50.44 H new ATOM 0 HD22 LEU A 121 -0.739 14.103 -1.432 1.00 50.44 H new ATOM 0 HD23 LEU A 121 -2.018 15.275 -1.832 1.00 50.44 H new ATOM 1878 N GLU A 122 -5.770 13.274 1.167 1.00 12.25 N ATOM 1879 CA GLU A 122 -6.790 12.224 1.426 1.00 25.41 C ATOM 1880 C GLU A 122 -7.495 11.811 0.112 1.00 21.22 C ATOM 1881 O GLU A 122 -7.695 10.628 -0.149 1.00 50.13 O ATOM 1882 CB GLU A 122 -7.843 12.691 2.465 1.00 52.32 C ATOM 1883 CG GLU A 122 -7.279 12.982 3.867 1.00 22.01 C ATOM 1884 CD GLU A 122 -8.373 13.338 4.893 1.00 1.11 C ATOM 1885 OE1 GLU A 122 -9.067 14.362 4.699 1.00 41.51 O ATOM 1886 OE2 GLU A 122 -8.567 12.583 5.871 1.00 30.54 O ATOM 0 H GLU A 122 -5.914 14.138 1.690 1.00 12.25 H new ATOM 0 HA GLU A 122 -6.267 11.361 1.838 1.00 25.41 H new ATOM 0 HB2 GLU A 122 -8.329 13.592 2.090 1.00 52.32 H new ATOM 0 HB3 GLU A 122 -8.614 11.925 2.550 1.00 52.32 H new ATOM 0 HG2 GLU A 122 -6.728 12.110 4.219 1.00 22.01 H new ATOM 0 HG3 GLU A 122 -6.567 13.805 3.803 1.00 22.01 H new ATOM 1893 N SER A 123 -7.844 12.814 -0.711 1.00 10.43 N ATOM 1894 CA SER A 123 -8.451 12.588 -2.044 1.00 15.50 C ATOM 1895 C SER A 123 -7.431 12.033 -3.079 1.00 74.54 C ATOM 1896 O SER A 123 -7.718 11.050 -3.767 1.00 65.21 O ATOM 1897 CB SER A 123 -9.078 13.895 -2.573 1.00 50.21 C ATOM 1898 OG SER A 123 -9.706 13.696 -3.831 1.00 14.23 O ATOM 0 H SER A 123 -7.717 13.799 -0.478 1.00 10.43 H new ATOM 0 HA SER A 123 -9.226 11.832 -1.916 1.00 15.50 H new ATOM 0 HB2 SER A 123 -9.809 14.267 -1.855 1.00 50.21 H new ATOM 0 HB3 SER A 123 -8.306 14.659 -2.667 1.00 50.21 H new ATOM 0 HG SER A 123 -10.095 14.541 -4.140 1.00 14.23 H new ATOM 1904 N VAL A 124 -6.248 12.680 -3.198 1.00 75.33 N ATOM 1905 CA VAL A 124 -5.216 12.288 -4.203 1.00 33.23 C ATOM 1906 C VAL A 124 -4.582 10.903 -3.888 1.00 4.52 C ATOM 1907 O VAL A 124 -4.568 9.999 -4.730 1.00 71.14 O ATOM 1908 CB VAL A 124 -4.072 13.376 -4.294 1.00 12.43 C ATOM 1909 CG1 VAL A 124 -3.024 13.014 -5.381 1.00 24.31 C ATOM 1910 CG2 VAL A 124 -4.658 14.788 -4.546 1.00 72.05 C ATOM 0 H VAL A 124 -5.979 13.473 -2.616 1.00 75.33 H new ATOM 0 HA VAL A 124 -5.731 12.218 -5.161 1.00 33.23 H new ATOM 0 HB VAL A 124 -3.562 13.388 -3.331 1.00 12.43 H new ATOM 0 HG11 VAL A 124 -2.254 13.784 -5.415 1.00 24.31 H new ATOM 0 HG12 VAL A 124 -2.567 12.054 -5.141 1.00 24.31 H new ATOM 0 HG13 VAL A 124 -3.515 12.949 -6.352 1.00 24.31 H new ATOM 0 HG21 VAL A 124 -3.847 15.514 -4.604 1.00 72.05 H new ATOM 0 HG22 VAL A 124 -5.213 14.789 -5.484 1.00 72.05 H new ATOM 0 HG23 VAL A 124 -5.327 15.056 -3.728 1.00 72.05 H new ATOM 1920 N ILE A 125 -4.058 10.769 -2.667 1.00 14.44 N ATOM 1921 CA ILE A 125 -3.367 9.546 -2.197 1.00 62.31 C ATOM 1922 C ILE A 125 -4.378 8.477 -1.693 1.00 31.43 C ATOM 1923 O ILE A 125 -4.390 7.355 -2.192 1.00 13.22 O ATOM 1924 CB ILE A 125 -2.317 9.889 -1.061 1.00 3.42 C ATOM 1925 CG1 ILE A 125 -1.273 10.939 -1.570 1.00 21.14 C ATOM 1926 CG2 ILE A 125 -1.617 8.617 -0.514 1.00 14.40 C ATOM 1927 CD1 ILE A 125 -0.237 11.367 -0.531 1.00 35.22 C ATOM 0 H ILE A 125 -4.097 11.507 -1.964 1.00 14.44 H new ATOM 0 HA ILE A 125 -2.832 9.128 -3.050 1.00 62.31 H new ATOM 0 HB ILE A 125 -2.866 10.330 -0.229 1.00 3.42 H new ATOM 0 HG12 ILE A 125 -0.752 10.524 -2.433 1.00 21.14 H new ATOM 0 HG13 ILE A 125 -1.807 11.824 -1.916 1.00 21.14 H new ATOM 0 HG21 ILE A 125 -0.906 8.899 0.262 1.00 14.40 H new ATOM 0 HG22 ILE A 125 -2.364 7.943 -0.095 1.00 14.40 H new ATOM 0 HG23 ILE A 125 -1.089 8.115 -1.325 1.00 14.40 H new ATOM 0 HD11 ILE A 125 0.443 12.095 -0.974 1.00 35.22 H new ATOM 0 HD12 ILE A 125 -0.743 11.816 0.324 1.00 35.22 H new ATOM 0 HD13 ILE A 125 0.329 10.496 -0.201 1.00 35.22 H new ATOM 1939 N GLY A 126 -5.229 8.849 -0.711 1.00 11.33 N ATOM 1940 CA GLY A 126 -6.140 7.888 -0.037 1.00 53.13 C ATOM 1941 C GLY A 126 -7.211 7.269 -0.952 1.00 73.22 C ATOM 1942 O GLY A 126 -7.484 6.065 -0.871 1.00 54.14 O ATOM 0 H GLY A 126 -5.306 9.806 -0.366 1.00 11.33 H new ATOM 0 HA2 GLY A 126 -5.543 7.085 0.396 1.00 53.13 H new ATOM 0 HA3 GLY A 126 -6.637 8.397 0.789 1.00 53.13 H new ATOM 1946 N ASP A 127 -7.840 8.097 -1.798 1.00 53.33 N ATOM 1947 CA ASP A 127 -8.812 7.627 -2.812 1.00 25.24 C ATOM 1948 C ASP A 127 -8.088 7.262 -4.136 1.00 62.35 C ATOM 1949 O ASP A 127 -8.115 6.102 -4.572 1.00 21.13 O ATOM 1950 CB ASP A 127 -9.895 8.714 -3.075 1.00 33.54 C ATOM 1951 CG ASP A 127 -10.807 8.997 -1.866 1.00 74.25 C ATOM 1952 OD1 ASP A 127 -10.323 9.530 -0.845 1.00 12.40 O ATOM 1953 OD2 ASP A 127 -12.015 8.673 -1.917 1.00 22.15 O ATOM 0 H ASP A 127 -7.695 9.107 -1.804 1.00 53.33 H new ATOM 0 HA ASP A 127 -9.301 6.733 -2.426 1.00 25.24 H new ATOM 0 HB2 ASP A 127 -9.401 9.640 -3.369 1.00 33.54 H new ATOM 0 HB3 ASP A 127 -10.512 8.401 -3.917 1.00 33.54 H new ATOM 1958 N GLY A 128 -7.410 8.267 -4.725 1.00 62.52 N ATOM 1959 CA GLY A 128 -6.857 8.183 -6.090 1.00 54.13 C ATOM 1960 C GLY A 128 -5.761 7.130 -6.304 1.00 73.13 C ATOM 1961 O GLY A 128 -5.598 6.614 -7.416 1.00 0.01 O ATOM 0 H GLY A 128 -7.231 9.160 -4.267 1.00 62.52 H new ATOM 0 HA2 GLY A 128 -7.674 7.975 -6.780 1.00 54.13 H new ATOM 0 HA3 GLY A 128 -6.454 9.159 -6.359 1.00 54.13 H new ATOM 1965 N VAL A 129 -4.985 6.827 -5.253 1.00 63.45 N ATOM 1966 CA VAL A 129 -3.921 5.793 -5.319 1.00 33.40 C ATOM 1967 C VAL A 129 -4.357 4.508 -4.585 1.00 72.01 C ATOM 1968 O VAL A 129 -4.343 3.410 -5.164 1.00 42.30 O ATOM 1969 CB VAL A 129 -2.562 6.315 -4.713 1.00 71.53 C ATOM 1970 CG1 VAL A 129 -1.433 5.248 -4.827 1.00 1.04 C ATOM 1971 CG2 VAL A 129 -2.128 7.652 -5.369 1.00 51.54 C ATOM 0 H VAL A 129 -5.068 7.279 -4.343 1.00 63.45 H new ATOM 0 HA VAL A 129 -3.761 5.567 -6.373 1.00 33.40 H new ATOM 0 HB VAL A 129 -2.734 6.501 -3.653 1.00 71.53 H new ATOM 0 HG11 VAL A 129 -0.513 5.645 -4.399 1.00 1.04 H new ATOM 0 HG12 VAL A 129 -1.727 4.348 -4.286 1.00 1.04 H new ATOM 0 HG13 VAL A 129 -1.269 5.003 -5.876 1.00 1.04 H new ATOM 0 HG21 VAL A 129 -1.188 7.985 -4.929 1.00 51.54 H new ATOM 0 HG22 VAL A 129 -1.995 7.505 -6.441 1.00 51.54 H new ATOM 0 HG23 VAL A 129 -2.896 8.407 -5.199 1.00 51.54 H new ATOM 1981 N PHE A 130 -4.760 4.669 -3.312 1.00 30.45 N ATOM 1982 CA PHE A 130 -5.009 3.538 -2.398 1.00 30.33 C ATOM 1983 C PHE A 130 -6.326 2.832 -2.715 1.00 44.32 C ATOM 1984 O PHE A 130 -6.304 1.687 -3.144 1.00 61.33 O ATOM 1985 CB PHE A 130 -4.989 4.000 -0.905 1.00 65.04 C ATOM 1986 CG PHE A 130 -3.634 4.434 -0.336 1.00 41.33 C ATOM 1987 CD1 PHE A 130 -2.537 4.702 -1.155 1.00 53.42 C ATOM 1988 CD2 PHE A 130 -3.465 4.553 1.042 1.00 62.41 C ATOM 1989 CE1 PHE A 130 -1.324 5.072 -0.619 1.00 3.35 C ATOM 1990 CE2 PHE A 130 -2.251 4.920 1.577 1.00 4.53 C ATOM 1991 CZ PHE A 130 -1.179 5.178 0.749 1.00 51.13 C ATOM 0 H PHE A 130 -4.922 5.583 -2.888 1.00 30.45 H new ATOM 0 HA PHE A 130 -4.199 2.824 -2.550 1.00 30.33 H new ATOM 0 HB2 PHE A 130 -5.685 4.832 -0.797 1.00 65.04 H new ATOM 0 HB3 PHE A 130 -5.370 3.184 -0.291 1.00 65.04 H new ATOM 0 HD1 PHE A 130 -2.641 4.618 -2.227 1.00 53.42 H new ATOM 0 HD2 PHE A 130 -4.298 4.354 1.700 1.00 62.41 H new ATOM 0 HE1 PHE A 130 -0.487 5.279 -1.269 1.00 3.35 H new ATOM 0 HE2 PHE A 130 -2.138 5.006 2.648 1.00 4.53 H new ATOM 0 HZ PHE A 130 -0.227 5.463 1.171 1.00 51.13 H new ATOM 2001 N ALA A 131 -7.465 3.534 -2.532 1.00 32.40 N ATOM 2002 CA ALA A 131 -8.815 2.947 -2.734 1.00 55.12 C ATOM 2003 C ALA A 131 -8.964 2.337 -4.149 1.00 43.05 C ATOM 2004 O ALA A 131 -9.558 1.278 -4.318 1.00 34.32 O ATOM 2005 CB ALA A 131 -9.901 3.998 -2.476 1.00 43.12 C ATOM 0 H ALA A 131 -7.480 4.512 -2.244 1.00 32.40 H new ATOM 0 HA ALA A 131 -8.938 2.137 -2.015 1.00 55.12 H new ATOM 0 HB1 ALA A 131 -10.883 3.551 -2.628 1.00 43.12 H new ATOM 0 HB2 ALA A 131 -9.822 4.359 -1.451 1.00 43.12 H new ATOM 0 HB3 ALA A 131 -9.771 4.832 -3.165 1.00 43.12 H new ATOM 2011 N VAL A 132 -8.357 3.006 -5.135 1.00 31.41 N ATOM 2012 CA VAL A 132 -8.261 2.519 -6.526 1.00 3.21 C ATOM 2013 C VAL A 132 -7.562 1.125 -6.618 1.00 75.31 C ATOM 2014 O VAL A 132 -8.126 0.171 -7.173 1.00 74.53 O ATOM 2015 CB VAL A 132 -7.508 3.594 -7.398 1.00 73.44 C ATOM 2016 CG1 VAL A 132 -6.993 3.011 -8.725 1.00 54.22 C ATOM 2017 CG2 VAL A 132 -8.416 4.826 -7.650 1.00 25.55 C ATOM 0 H VAL A 132 -7.911 3.913 -4.994 1.00 31.41 H new ATOM 0 HA VAL A 132 -9.270 2.379 -6.913 1.00 3.21 H new ATOM 0 HB VAL A 132 -6.634 3.914 -6.832 1.00 73.44 H new ATOM 0 HG11 VAL A 132 -6.481 3.790 -9.290 1.00 54.22 H new ATOM 0 HG12 VAL A 132 -6.299 2.196 -8.519 1.00 54.22 H new ATOM 0 HG13 VAL A 132 -7.834 2.633 -9.307 1.00 54.22 H new ATOM 0 HG21 VAL A 132 -7.878 5.557 -8.254 1.00 25.55 H new ATOM 0 HG22 VAL A 132 -9.317 4.512 -8.177 1.00 25.55 H new ATOM 0 HG23 VAL A 132 -8.692 5.276 -6.696 1.00 25.55 H new ATOM 2027 N GLY A 133 -6.350 1.023 -6.038 1.00 55.45 N ATOM 2028 CA GLY A 133 -5.563 -0.223 -6.063 1.00 63.15 C ATOM 2029 C GLY A 133 -6.182 -1.353 -5.224 1.00 54.32 C ATOM 2030 O GLY A 133 -6.128 -2.525 -5.603 1.00 14.13 O ATOM 0 H GLY A 133 -5.895 1.792 -5.546 1.00 55.45 H new ATOM 0 HA2 GLY A 133 -5.462 -0.560 -7.095 1.00 63.15 H new ATOM 0 HA3 GLY A 133 -4.558 -0.017 -5.696 1.00 63.15 H new ATOM 2034 N LEU A 134 -6.804 -0.971 -4.099 1.00 72.30 N ATOM 2035 CA LEU A 134 -7.415 -1.903 -3.127 1.00 14.25 C ATOM 2036 C LEU A 134 -8.721 -2.530 -3.667 1.00 74.24 C ATOM 2037 O LEU A 134 -8.926 -3.739 -3.541 1.00 52.22 O ATOM 2038 CB LEU A 134 -7.689 -1.167 -1.787 1.00 31.03 C ATOM 2039 CG LEU A 134 -6.435 -0.671 -1.003 1.00 12.32 C ATOM 2040 CD1 LEU A 134 -6.835 -0.008 0.328 1.00 22.02 C ATOM 2041 CD2 LEU A 134 -5.421 -1.815 -0.796 1.00 15.53 C ATOM 0 H LEU A 134 -6.901 0.008 -3.830 1.00 72.30 H new ATOM 0 HA LEU A 134 -6.708 -2.715 -2.960 1.00 14.25 H new ATOM 0 HB2 LEU A 134 -8.326 -0.307 -1.993 1.00 31.03 H new ATOM 0 HB3 LEU A 134 -8.256 -1.836 -1.139 1.00 31.03 H new ATOM 0 HG LEU A 134 -5.942 0.092 -1.605 1.00 12.32 H new ATOM 0 HD11 LEU A 134 -5.939 0.327 0.851 1.00 22.02 H new ATOM 0 HD12 LEU A 134 -7.480 0.847 0.129 1.00 22.02 H new ATOM 0 HD13 LEU A 134 -7.369 -0.729 0.948 1.00 22.02 H new ATOM 0 HD21 LEU A 134 -4.557 -1.441 -0.247 1.00 15.53 H new ATOM 0 HD22 LEU A 134 -5.890 -2.619 -0.229 1.00 15.53 H new ATOM 0 HD23 LEU A 134 -5.098 -2.195 -1.765 1.00 15.53 H new ATOM 2053 N ASN A 135 -9.599 -1.697 -4.275 1.00 52.12 N ATOM 2054 CA ASN A 135 -10.874 -2.180 -4.870 1.00 24.15 C ATOM 2055 C ASN A 135 -10.603 -3.109 -6.074 1.00 62.42 C ATOM 2056 O ASN A 135 -11.281 -4.123 -6.230 1.00 21.13 O ATOM 2057 CB ASN A 135 -11.833 -1.012 -5.271 1.00 33.31 C ATOM 2058 CG ASN A 135 -12.633 -0.455 -4.082 1.00 10.13 C ATOM 2059 OD1 ASN A 135 -13.629 -1.037 -3.669 1.00 14.31 O ATOM 2060 ND2 ASN A 135 -12.253 0.699 -3.568 1.00 20.42 N ATOM 0 H ASN A 135 -9.451 -0.692 -4.368 1.00 52.12 H new ATOM 0 HA ASN A 135 -11.384 -2.753 -4.096 1.00 24.15 H new ATOM 0 HB2 ASN A 135 -11.249 -0.207 -5.718 1.00 33.31 H new ATOM 0 HB3 ASN A 135 -12.526 -1.365 -6.035 1.00 33.31 H new ATOM 0 HD21 ASN A 135 -12.792 1.123 -2.813 1.00 20.42 H new ATOM 0 HD22 ASN A 135 -11.421 1.167 -3.926 1.00 20.42 H new ATOM 2067 N ALA A 136 -9.576 -2.780 -6.884 1.00 33.20 N ATOM 2068 CA ALA A 136 -9.128 -3.639 -8.010 1.00 11.14 C ATOM 2069 C ALA A 136 -8.581 -4.998 -7.508 1.00 5.13 C ATOM 2070 O ALA A 136 -8.807 -6.044 -8.131 1.00 20.05 O ATOM 2071 CB ALA A 136 -8.056 -2.906 -8.827 1.00 42.55 C ATOM 0 H ALA A 136 -9.036 -1.921 -6.782 1.00 33.20 H new ATOM 0 HA ALA A 136 -9.992 -3.844 -8.643 1.00 11.14 H new ATOM 0 HB1 ALA A 136 -7.730 -3.540 -9.652 1.00 42.55 H new ATOM 0 HB2 ALA A 136 -8.471 -1.979 -9.223 1.00 42.55 H new ATOM 0 HB3 ALA A 136 -7.204 -2.677 -8.187 1.00 42.55 H new ATOM 2077 N LEU A 137 -7.870 -4.956 -6.365 1.00 71.43 N ATOM 2078 CA LEU A 137 -7.323 -6.156 -5.694 1.00 0.14 C ATOM 2079 C LEU A 137 -8.482 -7.069 -5.200 1.00 20.41 C ATOM 2080 O LEU A 137 -8.441 -8.294 -5.354 1.00 11.24 O ATOM 2081 CB LEU A 137 -6.375 -5.703 -4.531 1.00 41.43 C ATOM 2082 CG LEU A 137 -5.417 -6.782 -3.907 1.00 61.14 C ATOM 2083 CD1 LEU A 137 -4.226 -6.132 -3.166 1.00 14.21 C ATOM 2084 CD2 LEU A 137 -6.151 -7.761 -2.968 1.00 0.23 C ATOM 0 H LEU A 137 -7.657 -4.086 -5.877 1.00 71.43 H new ATOM 0 HA LEU A 137 -6.734 -6.749 -6.394 1.00 0.14 H new ATOM 0 HB2 LEU A 137 -5.760 -4.882 -4.900 1.00 41.43 H new ATOM 0 HB3 LEU A 137 -6.995 -5.302 -3.730 1.00 41.43 H new ATOM 0 HG LEU A 137 -5.033 -7.357 -4.749 1.00 61.14 H new ATOM 0 HD11 LEU A 137 -3.588 -6.911 -2.749 1.00 14.21 H new ATOM 0 HD12 LEU A 137 -3.650 -5.526 -3.865 1.00 14.21 H new ATOM 0 HD13 LEU A 137 -4.600 -5.500 -2.361 1.00 14.21 H new ATOM 0 HD21 LEU A 137 -5.440 -8.483 -2.567 1.00 0.23 H new ATOM 0 HD22 LEU A 137 -6.606 -7.206 -2.148 1.00 0.23 H new ATOM 0 HD23 LEU A 137 -6.927 -8.287 -3.525 1.00 0.23 H new ATOM 2096 N ALA A 138 -9.516 -6.442 -4.629 1.00 34.12 N ATOM 2097 CA ALA A 138 -10.727 -7.147 -4.161 1.00 64.10 C ATOM 2098 C ALA A 138 -11.533 -7.763 -5.335 1.00 14.13 C ATOM 2099 O ALA A 138 -12.111 -8.843 -5.192 1.00 24.33 O ATOM 2100 CB ALA A 138 -11.604 -6.180 -3.366 1.00 25.22 C ATOM 0 H ALA A 138 -9.543 -5.434 -4.476 1.00 34.12 H new ATOM 0 HA ALA A 138 -10.411 -7.971 -3.521 1.00 64.10 H new ATOM 0 HB1 ALA A 138 -12.498 -6.700 -3.020 1.00 25.22 H new ATOM 0 HB2 ALA A 138 -11.047 -5.806 -2.507 1.00 25.22 H new ATOM 0 HB3 ALA A 138 -11.894 -5.344 -4.003 1.00 25.22 H new ATOM 2106 N GLU A 139 -11.552 -7.063 -6.492 1.00 40.15 N ATOM 2107 CA GLU A 139 -12.309 -7.485 -7.701 1.00 74.31 C ATOM 2108 C GLU A 139 -11.632 -8.656 -8.452 1.00 20.51 C ATOM 2109 O GLU A 139 -12.329 -9.506 -9.019 1.00 51.43 O ATOM 2110 CB GLU A 139 -12.536 -6.273 -8.650 1.00 2.43 C ATOM 2111 CG GLU A 139 -13.533 -5.235 -8.105 1.00 34.35 C ATOM 2112 CD GLU A 139 -13.715 -4.023 -9.030 1.00 41.32 C ATOM 2113 OE1 GLU A 139 -12.939 -3.046 -8.924 1.00 45.24 O ATOM 2114 OE2 GLU A 139 -14.636 -4.050 -9.880 1.00 51.41 O ATOM 0 H GLU A 139 -11.043 -6.188 -6.618 1.00 40.15 H new ATOM 0 HA GLU A 139 -13.276 -7.854 -7.360 1.00 74.31 H new ATOM 0 HB2 GLU A 139 -11.580 -5.783 -8.833 1.00 2.43 H new ATOM 0 HB3 GLU A 139 -12.896 -6.639 -9.612 1.00 2.43 H new ATOM 0 HG2 GLU A 139 -14.500 -5.715 -7.952 1.00 34.35 H new ATOM 0 HG3 GLU A 139 -13.191 -4.890 -7.129 1.00 34.35 H new ATOM 2121 N ARG A 140 -10.279 -8.716 -8.440 1.00 1.32 N ATOM 2122 CA ARG A 140 -9.540 -9.837 -9.084 1.00 73.43 C ATOM 2123 C ARG A 140 -9.667 -11.140 -8.251 1.00 12.33 C ATOM 2124 O ARG A 140 -9.524 -12.244 -8.781 1.00 3.31 O ATOM 2125 CB ARG A 140 -8.040 -9.496 -9.321 1.00 55.51 C ATOM 2126 CG ARG A 140 -7.177 -9.364 -8.041 1.00 64.43 C ATOM 2127 CD ARG A 140 -5.662 -9.386 -8.332 1.00 75.40 C ATOM 2128 NE ARG A 140 -5.263 -10.642 -9.004 1.00 73.43 N ATOM 2129 CZ ARG A 140 -4.291 -11.453 -8.633 1.00 14.42 C ATOM 2130 NH1 ARG A 140 -3.571 -11.208 -7.591 1.00 45.42 N ATOM 2131 NH2 ARG A 140 -4.065 -12.521 -9.313 1.00 15.44 N ATOM 0 H ARG A 140 -9.682 -8.016 -8.000 1.00 1.32 H new ATOM 0 HA ARG A 140 -10.000 -9.995 -10.059 1.00 73.43 H new ATOM 0 HB2 ARG A 140 -7.605 -10.270 -9.954 1.00 55.51 H new ATOM 0 HB3 ARG A 140 -7.981 -8.560 -9.876 1.00 55.51 H new ATOM 0 HG2 ARG A 140 -7.430 -8.434 -7.533 1.00 64.43 H new ATOM 0 HG3 ARG A 140 -7.422 -10.177 -7.358 1.00 64.43 H new ATOM 0 HD2 ARG A 140 -5.398 -8.535 -8.960 1.00 75.40 H new ATOM 0 HD3 ARG A 140 -5.109 -9.278 -7.399 1.00 75.40 H new ATOM 0 HE ARG A 140 -5.791 -10.907 -9.836 1.00 73.43 H new ATOM 0 HH11 ARG A 140 -3.748 -10.372 -7.034 1.00 45.42 H new ATOM 0 HH12 ARG A 140 -2.825 -11.850 -7.324 1.00 45.42 H new ATOM 0 HH21 ARG A 140 -4.635 -12.735 -10.131 1.00 15.44 H new ATOM 0 HH22 ARG A 140 -3.316 -13.154 -9.034 1.00 15.44 H new ATOM 2145 N TYR A 141 -9.919 -10.990 -6.934 1.00 34.34 N ATOM 2146 CA TYR A 141 -10.230 -12.120 -6.029 1.00 53.10 C ATOM 2147 C TYR A 141 -11.749 -12.229 -5.757 1.00 4.13 C ATOM 2148 O TYR A 141 -12.151 -13.059 -4.950 1.00 3.05 O ATOM 2149 CB TYR A 141 -9.489 -11.957 -4.682 1.00 70.55 C ATOM 2150 CG TYR A 141 -7.958 -12.060 -4.757 1.00 4.12 C ATOM 2151 CD1 TYR A 141 -7.331 -13.228 -5.197 1.00 72.32 C ATOM 2152 CD2 TYR A 141 -7.144 -11.012 -4.351 1.00 52.33 C ATOM 2153 CE1 TYR A 141 -5.958 -13.336 -5.232 1.00 74.12 C ATOM 2154 CE2 TYR A 141 -5.777 -11.112 -4.383 1.00 43.51 C ATOM 2155 CZ TYR A 141 -5.182 -12.276 -4.825 1.00 20.22 C ATOM 2156 OH TYR A 141 -3.808 -12.380 -4.873 1.00 73.12 O ATOM 0 H TYR A 141 -9.913 -10.083 -6.467 1.00 34.34 H new ATOM 0 HA TYR A 141 -9.896 -13.031 -6.526 1.00 53.10 H new ATOM 0 HB2 TYR A 141 -9.751 -10.988 -4.257 1.00 70.55 H new ATOM 0 HB3 TYR A 141 -9.854 -12.717 -3.991 1.00 70.55 H new ATOM 0 HD1 TYR A 141 -7.935 -14.064 -5.517 1.00 72.32 H new ATOM 0 HD2 TYR A 141 -7.598 -10.096 -4.002 1.00 52.33 H new ATOM 0 HE1 TYR A 141 -5.494 -14.248 -5.577 1.00 74.12 H new ATOM 0 HE2 TYR A 141 -5.167 -10.281 -4.063 1.00 43.51 H new ATOM 0 HH TYR A 141 -3.503 -13.006 -4.184 1.00 73.12 H new ATOM 2166 N GLY A 142 -12.558 -11.372 -6.424 1.00 1.41 N ATOM 2167 CA GLY A 142 -14.036 -11.339 -6.274 1.00 72.30 C ATOM 2168 C GLY A 142 -14.727 -12.711 -6.310 1.00 11.51 C ATOM 2169 O GLY A 142 -15.557 -13.010 -5.444 1.00 22.11 O ATOM 0 H GLY A 142 -12.204 -10.680 -7.085 1.00 1.41 H new ATOM 0 HA2 GLY A 142 -14.279 -10.852 -5.329 1.00 72.30 H new ATOM 0 HA3 GLY A 142 -14.452 -10.719 -7.068 1.00 72.30 H new