USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 732 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 179 THR OG1 : rot 142:sc= 0.849 USER MOD Set 1.2: A 186 HIS : no HD1:sc= -4.7! C(o=-3.8!,f=-6.8!) USER MOD Single : A 113 THR OG1 : rot -137:sc= 1.34 USER MOD Single : A 122 GLN : amide:sc= -10.8! C(o=-11!,f=-4.4!) USER MOD Single : A 123 SER OG : rot -156:sc= 0.265 USER MOD Single : A 130 LYS NZ :NH3+ 164:sc= 1.22 (180deg=1.04) USER MOD Single : A 139 GLN : amide:sc= -4.96! K(o=-5!,f=-0.072) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 52:sc= 1.01 USER MOD Single : A 152 CYS SG : rot -11:sc= -0.598! USER MOD Single : A 160 GLN : amide:sc= -4.22! C(o=-4.2!,f=-6.6!) USER MOD Single : A 161 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 167 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 LYS NZ :NH3+ -150:sc= 2.09 (180deg=1.59) USER MOD Single : A 172 SER OG : rot 180:sc= 0 USER MOD Single : A 173 SER OG : rot -56:sc= 1.23 USER MOD Single : A 174 CYS SG : rot 54:sc= -4.72! USER MOD Single : A 176 LYS NZ :NH3+ -172:sc= 1.2 (180deg=1.14) USER MOD Single : A 178 GLN : amide:sc= -3.92! K(o=-3.9!,f=-1.1) USER MOD Single : A 181 LYS NZ :NH3+ -174:sc= -1.03 (180deg=-1.11) USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD Single : A 188 THR OG1 : rot -106:sc= -5.4! USER MOD Single : A 191 LYS NZ :NH3+ -148:sc= -0.259 (180deg=-1.87!) USER MOD Single : A 192 LYS NZ :NH3+ -145:sc= 1.16 (180deg=0.958) USER MOD Single : A 195 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 197 THR OG1 : rot 19:sc= 0.727 USER MOD Single : A 200 SER OG : rot -1:sc= 0.396 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 113 -1.841 -10.099 3.846 1.00 7.11 N ATOM 2 CA THR A 113 -3.236 -10.470 3.569 1.00 6.14 C ATOM 3 C THR A 113 -3.905 -10.919 4.853 1.00 5.79 C ATOM 4 O THR A 113 -3.743 -12.062 5.271 1.00 6.50 O ATOM 5 CB THR A 113 -3.301 -11.596 2.524 1.00 6.71 C ATOM 6 OG1 THR A 113 -2.631 -11.169 1.333 1.00 7.38 O ATOM 7 CG2 THR A 113 -4.745 -11.974 2.212 1.00 6.15 C ATOM 0 HA THR A 113 -3.758 -9.600 3.170 1.00 6.14 H new ATOM 0 HB THR A 113 -2.808 -12.480 2.927 1.00 6.71 H new ATOM 0 HG1 THR A 113 -3.158 -11.430 0.549 1.00 7.38 H new ATOM 0 HG21 THR A 113 -4.760 -12.772 1.470 1.00 6.15 H new ATOM 0 HG22 THR A 113 -5.237 -12.316 3.123 1.00 6.15 H new ATOM 0 HG23 THR A 113 -5.272 -11.104 1.820 1.00 6.15 H new ATOM 17 N PRO A 114 -4.639 -10.020 5.517 1.00 4.87 N ATOM 18 CA PRO A 114 -5.286 -10.349 6.771 1.00 4.81 C ATOM 19 C PRO A 114 -6.479 -11.262 6.553 1.00 4.53 C ATOM 20 O PRO A 114 -7.145 -11.202 5.513 1.00 4.06 O ATOM 21 CB PRO A 114 -5.698 -8.994 7.326 1.00 4.27 C ATOM 22 CG PRO A 114 -5.964 -8.201 6.114 1.00 3.42 C ATOM 23 CD PRO A 114 -4.953 -8.645 5.091 1.00 4.00 C ATOM 0 HA PRO A 114 -4.638 -10.897 7.455 1.00 4.81 H new ATOM 0 HB2 PRO A 114 -6.582 -9.070 7.959 1.00 4.27 H new ATOM 0 HB3 PRO A 114 -4.908 -8.550 7.932 1.00 4.27 H new ATOM 0 HG2 PRO A 114 -6.980 -8.367 5.755 1.00 3.42 H new ATOM 0 HG3 PRO A 114 -5.869 -7.135 6.318 1.00 3.42 H new ATOM 0 HD2 PRO A 114 -5.361 -8.618 4.081 1.00 4.00 H new ATOM 0 HD3 PRO A 114 -4.068 -8.009 5.094 1.00 4.00 H new ATOM 31 N GLU A 115 -6.745 -12.090 7.539 1.00 5.07 N ATOM 32 CA GLU A 115 -7.750 -13.132 7.429 1.00 5.19 C ATOM 33 C GLU A 115 -9.166 -12.584 7.648 1.00 4.43 C ATOM 34 O GLU A 115 -9.963 -13.153 8.392 1.00 4.78 O ATOM 35 CB GLU A 115 -7.408 -14.238 8.421 1.00 6.23 C ATOM 36 CG GLU A 115 -7.365 -13.768 9.860 1.00 6.90 C ATOM 37 CD GLU A 115 -6.531 -14.668 10.744 1.00 7.69 C ATOM 38 OE1 GLU A 115 -7.040 -15.726 11.163 1.00 8.15 O ATOM 39 OE2 GLU A 115 -5.362 -14.330 11.017 1.00 8.07 O ATOM 0 H GLU A 115 -6.272 -12.062 8.442 1.00 5.07 H new ATOM 0 HA GLU A 115 -7.742 -13.539 6.418 1.00 5.19 H new ATOM 0 HB2 GLU A 115 -8.144 -15.037 8.330 1.00 6.23 H new ATOM 0 HB3 GLU A 115 -6.440 -14.665 8.158 1.00 6.23 H new ATOM 0 HG2 GLU A 115 -6.962 -12.756 9.895 1.00 6.90 H new ATOM 0 HG3 GLU A 115 -8.381 -13.720 10.253 1.00 6.90 H new ATOM 46 N LEU A 116 -9.473 -11.481 6.974 1.00 3.64 N ATOM 47 CA LEU A 116 -10.781 -10.852 7.082 1.00 3.32 C ATOM 48 C LEU A 116 -11.344 -10.515 5.703 1.00 2.70 C ATOM 49 O LEU A 116 -12.140 -11.276 5.153 1.00 3.08 O ATOM 50 CB LEU A 116 -10.713 -9.589 7.948 1.00 3.81 C ATOM 51 CG LEU A 116 -10.402 -9.822 9.427 1.00 4.59 C ATOM 52 CD1 LEU A 116 -10.253 -8.494 10.150 1.00 5.28 C ATOM 53 CD2 LEU A 116 -11.490 -10.664 10.082 1.00 5.24 C ATOM 0 H LEU A 116 -8.829 -11.003 6.344 1.00 3.64 H new ATOM 0 HA LEU A 116 -11.450 -11.566 7.562 1.00 3.32 H new ATOM 0 HB2 LEU A 116 -9.953 -8.926 7.535 1.00 3.81 H new ATOM 0 HB3 LEU A 116 -11.666 -9.066 7.873 1.00 3.81 H new ATOM 0 HG LEU A 116 -9.460 -10.367 9.498 1.00 4.59 H new ATOM 0 HD11 LEU A 116 -10.032 -8.675 11.202 1.00 5.28 H new ATOM 0 HD12 LEU A 116 -9.439 -7.925 9.701 1.00 5.28 H new ATOM 0 HD13 LEU A 116 -11.181 -7.928 10.067 1.00 5.28 H new ATOM 0 HD21 LEU A 116 -11.248 -10.817 11.134 1.00 5.24 H new ATOM 0 HD22 LEU A 116 -12.447 -10.149 10.001 1.00 5.24 H new ATOM 0 HD23 LEU A 116 -11.554 -11.630 9.580 1.00 5.24 H new ATOM 65 N ALA A 117 -10.917 -9.385 5.137 1.00 2.22 N ATOM 66 CA ALA A 117 -11.444 -8.932 3.850 1.00 1.98 C ATOM 67 C ALA A 117 -10.437 -8.072 3.086 1.00 1.62 C ATOM 68 O ALA A 117 -10.798 -7.353 2.157 1.00 1.76 O ATOM 69 CB ALA A 117 -12.731 -8.152 4.065 1.00 2.55 C ATOM 0 H ALA A 117 -10.213 -8.771 5.546 1.00 2.22 H new ATOM 0 HA ALA A 117 -11.643 -9.818 3.247 1.00 1.98 H new ATOM 0 HB1 ALA A 117 -13.119 -7.817 3.103 1.00 2.55 H new ATOM 0 HB2 ALA A 117 -13.468 -8.792 4.550 1.00 2.55 H new ATOM 0 HB3 ALA A 117 -12.531 -7.286 4.696 1.00 2.55 H new ATOM 75 N LEU A 118 -9.173 -8.148 3.475 1.00 1.44 N ATOM 76 CA LEU A 118 -8.131 -7.357 2.824 1.00 1.29 C ATOM 77 C LEU A 118 -7.114 -8.281 2.201 1.00 0.93 C ATOM 78 O LEU A 118 -6.811 -9.336 2.763 1.00 0.99 O ATOM 79 CB LEU A 118 -7.410 -6.415 3.798 1.00 1.74 C ATOM 80 CG LEU A 118 -8.284 -5.426 4.589 1.00 2.42 C ATOM 81 CD1 LEU A 118 -9.255 -4.702 3.669 1.00 3.17 C ATOM 82 CD2 LEU A 118 -9.024 -6.122 5.724 1.00 2.96 C ATOM 0 H LEU A 118 -8.842 -8.745 4.233 1.00 1.44 H new ATOM 0 HA LEU A 118 -8.620 -6.744 2.067 1.00 1.29 H new ATOM 0 HB2 LEU A 118 -6.857 -7.025 4.512 1.00 1.74 H new ATOM 0 HB3 LEU A 118 -6.675 -5.841 3.233 1.00 1.74 H new ATOM 0 HG LEU A 118 -7.622 -4.683 5.034 1.00 2.42 H new ATOM 0 HD11 LEU A 118 -9.861 -4.009 4.253 1.00 3.17 H new ATOM 0 HD12 LEU A 118 -8.697 -4.149 2.914 1.00 3.17 H new ATOM 0 HD13 LEU A 118 -9.904 -5.429 3.180 1.00 3.17 H new ATOM 0 HD21 LEU A 118 -9.632 -5.395 6.262 1.00 2.96 H new ATOM 0 HD22 LEU A 118 -9.668 -6.901 5.315 1.00 2.96 H new ATOM 0 HD23 LEU A 118 -8.303 -6.569 6.408 1.00 2.96 H new ATOM 94 N ASP A 119 -6.591 -7.908 1.047 1.00 0.79 N ATOM 95 CA ASP A 119 -5.576 -8.726 0.417 1.00 0.65 C ATOM 96 C ASP A 119 -4.475 -7.866 -0.178 1.00 0.56 C ATOM 97 O ASP A 119 -4.735 -6.888 -0.863 1.00 0.59 O ATOM 98 CB ASP A 119 -6.196 -9.631 -0.654 1.00 0.84 C ATOM 99 CG ASP A 119 -5.171 -10.504 -1.354 1.00 1.06 C ATOM 100 OD1 ASP A 119 -5.279 -10.693 -2.587 1.00 1.51 O ATOM 101 OD2 ASP A 119 -4.244 -10.996 -0.684 1.00 1.42 O ATOM 0 H ASP A 119 -6.846 -7.062 0.537 1.00 0.79 H new ATOM 0 HA ASP A 119 -5.131 -9.359 1.184 1.00 0.65 H new ATOM 0 HB2 ASP A 119 -6.952 -10.266 -0.193 1.00 0.84 H new ATOM 0 HB3 ASP A 119 -6.706 -9.014 -1.394 1.00 0.84 H new ATOM 106 N TRP A 120 -3.247 -8.241 0.106 1.00 0.54 N ATOM 107 CA TRP A 120 -2.069 -7.538 -0.352 1.00 0.57 C ATOM 108 C TRP A 120 -1.154 -8.529 -1.006 1.00 0.74 C ATOM 109 O TRP A 120 -1.370 -9.735 -0.901 1.00 0.85 O ATOM 110 CB TRP A 120 -1.329 -6.923 0.817 1.00 0.65 C ATOM 111 CG TRP A 120 -2.256 -6.182 1.734 1.00 0.64 C ATOM 112 CD1 TRP A 120 -3.274 -5.366 1.351 1.00 0.60 C ATOM 113 CD2 TRP A 120 -2.286 -6.213 3.167 1.00 0.76 C ATOM 114 NE1 TRP A 120 -3.931 -4.875 2.451 1.00 0.73 N ATOM 115 CE2 TRP A 120 -3.341 -5.374 3.578 1.00 0.82 C ATOM 116 CE3 TRP A 120 -1.523 -6.857 4.141 1.00 0.88 C ATOM 117 CZ2 TRP A 120 -3.650 -5.167 4.921 1.00 0.99 C ATOM 118 CZ3 TRP A 120 -1.834 -6.651 5.472 1.00 1.02 C ATOM 119 CH2 TRP A 120 -2.888 -5.814 5.851 1.00 1.08 C ATOM 0 H TRP A 120 -3.035 -9.061 0.674 1.00 0.54 H new ATOM 0 HA TRP A 120 -2.371 -6.752 -1.044 1.00 0.57 H new ATOM 0 HB2 TRP A 120 -0.815 -7.706 1.375 1.00 0.65 H new ATOM 0 HB3 TRP A 120 -0.564 -6.242 0.445 1.00 0.65 H new ATOM 0 HD1 TRP A 120 -3.529 -5.137 0.327 1.00 0.60 H new ATOM 0 HE1 TRP A 120 -4.730 -4.241 2.431 1.00 0.73 H new ATOM 0 HE3 TRP A 120 -0.705 -7.504 3.861 1.00 0.88 H new ATOM 0 HZ2 TRP A 120 -4.462 -4.519 5.215 1.00 0.99 H new ATOM 0 HZ3 TRP A 120 -1.251 -7.146 6.234 1.00 1.02 H new ATOM 0 HH2 TRP A 120 -3.104 -5.677 6.900 1.00 1.08 H new ATOM 130 N ARG A 121 -0.155 -8.048 -1.688 1.00 0.81 N ATOM 131 CA ARG A 121 0.833 -8.932 -2.217 1.00 1.06 C ATOM 132 C ARG A 121 2.167 -8.234 -2.316 1.00 1.14 C ATOM 133 O ARG A 121 2.257 -7.014 -2.269 1.00 1.05 O ATOM 134 CB ARG A 121 0.422 -9.416 -3.589 1.00 1.20 C ATOM 135 CG ARG A 121 0.966 -8.540 -4.696 1.00 1.31 C ATOM 136 CD ARG A 121 0.076 -8.528 -5.906 1.00 1.18 C ATOM 137 NE ARG A 121 -0.103 -9.858 -6.479 1.00 1.60 N ATOM 138 CZ ARG A 121 0.091 -10.149 -7.763 1.00 1.99 C ATOM 139 NH1 ARG A 121 0.538 -9.223 -8.604 1.00 2.34 N ATOM 140 NH2 ARG A 121 -0.136 -11.381 -8.201 1.00 2.57 N ATOM 0 H ARG A 121 -0.007 -7.059 -1.887 1.00 0.81 H new ATOM 0 HA ARG A 121 0.922 -9.784 -1.543 1.00 1.06 H new ATOM 0 HB2 ARG A 121 0.774 -10.438 -3.732 1.00 1.20 H new ATOM 0 HB3 ARG A 121 -0.666 -9.442 -3.651 1.00 1.20 H new ATOM 0 HG2 ARG A 121 1.084 -7.522 -4.325 1.00 1.31 H new ATOM 0 HG3 ARG A 121 1.957 -8.893 -4.981 1.00 1.31 H new ATOM 0 HD2 ARG A 121 -0.897 -8.119 -5.634 1.00 1.18 H new ATOM 0 HD3 ARG A 121 0.501 -7.865 -6.660 1.00 1.18 H new ATOM 0 HE ARG A 121 -0.395 -10.612 -5.857 1.00 1.60 H new ATOM 0 HH11 ARG A 121 0.735 -8.281 -8.267 1.00 2.34 H new ATOM 0 HH12 ARG A 121 0.684 -9.454 -9.587 1.00 2.34 H new ATOM 0 HH21 ARG A 121 -0.458 -12.101 -7.554 1.00 2.57 H new ATOM 0 HH22 ARG A 121 0.012 -11.608 -9.184 1.00 2.57 H new ATOM 154 N GLN A 122 3.191 -9.021 -2.427 1.00 1.38 N ATOM 155 CA GLN A 122 4.461 -8.543 -2.917 1.00 1.54 C ATOM 156 C GLN A 122 4.906 -9.416 -4.078 1.00 1.87 C ATOM 157 O GLN A 122 4.763 -10.637 -4.044 1.00 2.08 O ATOM 158 CB GLN A 122 5.489 -8.577 -1.773 1.00 1.73 C ATOM 159 CG GLN A 122 6.949 -8.551 -2.210 1.00 2.15 C ATOM 160 CD GLN A 122 7.438 -7.180 -2.623 1.00 2.06 C ATOM 161 OE1 GLN A 122 8.617 -6.860 -2.468 1.00 2.16 O ATOM 162 NE2 GLN A 122 6.548 -6.357 -3.145 1.00 1.91 N ATOM 0 H GLN A 122 3.178 -10.011 -2.183 1.00 1.38 H new ATOM 0 HA GLN A 122 4.371 -7.516 -3.270 1.00 1.54 H new ATOM 0 HB2 GLN A 122 5.308 -7.725 -1.118 1.00 1.73 H new ATOM 0 HB3 GLN A 122 5.320 -9.476 -1.181 1.00 1.73 H new ATOM 0 HG2 GLN A 122 7.570 -8.917 -1.392 1.00 2.15 H new ATOM 0 HG3 GLN A 122 7.081 -9.240 -3.044 1.00 2.15 H new ATOM 0 HE21 GLN A 122 5.580 -6.658 -3.258 1.00 1.91 H new ATOM 0 HE22 GLN A 122 6.828 -5.420 -3.436 1.00 1.91 H new ATOM 171 N SER A 123 5.423 -8.779 -5.109 1.00 1.94 N ATOM 172 CA SER A 123 5.987 -9.469 -6.230 1.00 2.32 C ATOM 173 C SER A 123 7.273 -8.746 -6.589 1.00 2.43 C ATOM 174 O SER A 123 7.512 -7.645 -6.089 1.00 2.22 O ATOM 175 CB SER A 123 4.982 -9.469 -7.388 1.00 2.41 C ATOM 176 OG SER A 123 5.397 -10.310 -8.450 1.00 2.83 O ATOM 0 H SER A 123 5.459 -7.762 -5.184 1.00 1.94 H new ATOM 0 HA SER A 123 6.207 -10.512 -6.003 1.00 2.32 H new ATOM 0 HB2 SER A 123 4.009 -9.798 -7.024 1.00 2.41 H new ATOM 0 HB3 SER A 123 4.856 -8.452 -7.759 1.00 2.41 H new ATOM 0 HG SER A 123 4.973 -10.018 -9.284 1.00 2.83 H new ATOM 182 N ALA A 124 8.059 -9.315 -7.487 1.00 2.77 N ATOM 183 CA ALA A 124 9.339 -8.733 -7.880 1.00 2.93 C ATOM 184 C ALA A 124 9.153 -7.368 -8.520 1.00 2.70 C ATOM 185 O ALA A 124 10.102 -6.616 -8.734 1.00 2.77 O ATOM 186 CB ALA A 124 10.029 -9.669 -8.845 1.00 3.35 C ATOM 0 H ALA A 124 7.833 -10.188 -7.964 1.00 2.77 H new ATOM 0 HA ALA A 124 9.951 -8.598 -6.988 1.00 2.93 H new ATOM 0 HB1 ALA A 124 10.986 -9.242 -9.144 1.00 3.35 H new ATOM 0 HB2 ALA A 124 10.196 -10.632 -8.362 1.00 3.35 H new ATOM 0 HB3 ALA A 124 9.403 -9.809 -9.726 1.00 3.35 H new ATOM 192 N GLU A 125 7.917 -7.078 -8.809 1.00 2.48 N ATOM 193 CA GLU A 125 7.527 -5.927 -9.574 1.00 2.35 C ATOM 194 C GLU A 125 6.895 -4.843 -8.705 1.00 1.91 C ATOM 195 O GLU A 125 7.090 -3.650 -8.952 1.00 1.78 O ATOM 196 CB GLU A 125 6.525 -6.426 -10.594 1.00 2.56 C ATOM 197 CG GLU A 125 5.613 -7.484 -9.992 1.00 2.56 C ATOM 198 CD GLU A 125 4.589 -8.030 -10.960 1.00 2.86 C ATOM 199 OE1 GLU A 125 4.517 -9.261 -11.140 1.00 3.11 O ATOM 200 OE2 GLU A 125 3.857 -7.211 -11.564 1.00 2.98 O ATOM 0 H GLU A 125 7.129 -7.653 -8.510 1.00 2.48 H new ATOM 0 HA GLU A 125 8.400 -5.470 -10.039 1.00 2.35 H new ATOM 0 HB2 GLU A 125 5.927 -5.591 -10.960 1.00 2.56 H new ATOM 0 HB3 GLU A 125 7.052 -6.841 -11.453 1.00 2.56 H new ATOM 0 HG2 GLU A 125 6.223 -8.307 -9.621 1.00 2.56 H new ATOM 0 HG3 GLU A 125 5.096 -7.058 -9.133 1.00 2.56 H new ATOM 207 N GLU A 126 6.154 -5.254 -7.673 1.00 1.72 N ATOM 208 CA GLU A 126 5.255 -4.347 -6.987 1.00 1.33 C ATOM 209 C GLU A 126 4.946 -4.797 -5.574 1.00 1.27 C ATOM 210 O GLU A 126 4.916 -5.995 -5.287 1.00 1.55 O ATOM 211 CB GLU A 126 3.952 -4.260 -7.773 1.00 1.42 C ATOM 212 CG GLU A 126 3.495 -5.625 -8.262 1.00 1.81 C ATOM 213 CD GLU A 126 2.041 -5.665 -8.683 1.00 1.94 C ATOM 214 OE1 GLU A 126 1.343 -6.643 -8.338 1.00 2.06 O ATOM 215 OE2 GLU A 126 1.588 -4.718 -9.358 1.00 2.15 O ATOM 0 H GLU A 126 6.164 -6.204 -7.302 1.00 1.72 H new ATOM 0 HA GLU A 126 5.747 -3.376 -6.924 1.00 1.33 H new ATOM 0 HB2 GLU A 126 3.177 -3.821 -7.145 1.00 1.42 H new ATOM 0 HB3 GLU A 126 4.086 -3.595 -8.626 1.00 1.42 H new ATOM 0 HG2 GLU A 126 4.117 -5.926 -9.105 1.00 1.81 H new ATOM 0 HG3 GLU A 126 3.655 -6.357 -7.471 1.00 1.81 H new ATOM 222 N VAL A 127 4.700 -3.831 -4.694 1.00 0.96 N ATOM 223 CA VAL A 127 4.142 -4.140 -3.400 1.00 0.93 C ATOM 224 C VAL A 127 2.692 -3.705 -3.416 1.00 0.66 C ATOM 225 O VAL A 127 2.382 -2.537 -3.606 1.00 0.53 O ATOM 226 CB VAL A 127 4.860 -3.420 -2.234 1.00 1.08 C ATOM 227 CG1 VAL A 127 4.428 -4.010 -0.900 1.00 1.31 C ATOM 228 CG2 VAL A 127 6.374 -3.459 -2.390 1.00 1.53 C ATOM 0 H VAL A 127 4.879 -2.840 -4.859 1.00 0.96 H new ATOM 0 HA VAL A 127 4.260 -5.210 -3.230 1.00 0.93 H new ATOM 0 HB VAL A 127 4.566 -2.371 -2.259 1.00 1.08 H new ATOM 0 HG11 VAL A 127 4.942 -3.493 -0.090 1.00 1.31 H new ATOM 0 HG12 VAL A 127 3.351 -3.891 -0.781 1.00 1.31 H new ATOM 0 HG13 VAL A 127 4.681 -5.070 -0.872 1.00 1.31 H new ATOM 0 HG21 VAL A 127 6.840 -2.943 -1.551 1.00 1.53 H new ATOM 0 HG22 VAL A 127 6.711 -4.495 -2.411 1.00 1.53 H new ATOM 0 HG23 VAL A 127 6.657 -2.967 -3.321 1.00 1.53 H new ATOM 238 N ILE A 128 1.806 -4.642 -3.230 1.00 0.64 N ATOM 239 CA ILE A 128 0.398 -4.387 -3.419 1.00 0.48 C ATOM 240 C ILE A 128 -0.358 -4.437 -2.130 1.00 0.46 C ATOM 241 O ILE A 128 -0.184 -5.347 -1.334 1.00 0.56 O ATOM 242 CB ILE A 128 -0.224 -5.385 -4.412 1.00 0.56 C ATOM 243 CG1 ILE A 128 0.483 -5.251 -5.744 1.00 0.64 C ATOM 244 CG2 ILE A 128 -1.708 -5.124 -4.569 1.00 0.55 C ATOM 245 CD1 ILE A 128 0.660 -3.816 -6.131 1.00 0.55 C ATOM 0 H ILE A 128 2.031 -5.596 -2.946 1.00 0.64 H new ATOM 0 HA ILE A 128 0.321 -3.379 -3.827 1.00 0.48 H new ATOM 0 HB ILE A 128 -0.103 -6.400 -4.034 1.00 0.56 H new ATOM 0 HG12 ILE A 128 1.457 -5.737 -5.690 1.00 0.64 H new ATOM 0 HG13 ILE A 128 -0.089 -5.768 -6.514 1.00 0.64 H new ATOM 0 HG21 ILE A 128 -2.131 -5.839 -5.275 1.00 0.55 H new ATOM 0 HG22 ILE A 128 -2.201 -5.233 -3.603 1.00 0.55 H new ATOM 0 HG23 ILE A 128 -1.862 -4.112 -4.942 1.00 0.55 H new ATOM 0 HD11 ILE A 128 1.171 -3.759 -7.092 1.00 0.55 H new ATOM 0 HD12 ILE A 128 -0.316 -3.337 -6.210 1.00 0.55 H new ATOM 0 HD13 ILE A 128 1.254 -3.305 -5.373 1.00 0.55 H new ATOM 257 N VAL A 129 -1.180 -3.439 -1.925 1.00 0.39 N ATOM 258 CA VAL A 129 -2.142 -3.467 -0.848 1.00 0.42 C ATOM 259 C VAL A 129 -3.515 -3.145 -1.427 1.00 0.36 C ATOM 260 O VAL A 129 -3.715 -2.104 -2.055 1.00 0.37 O ATOM 261 CB VAL A 129 -1.736 -2.468 0.271 1.00 0.52 C ATOM 262 CG1 VAL A 129 -1.251 -1.196 -0.348 1.00 0.73 C ATOM 263 CG2 VAL A 129 -2.874 -2.159 1.230 1.00 0.79 C ATOM 0 H VAL A 129 -1.203 -2.592 -2.492 1.00 0.39 H new ATOM 0 HA VAL A 129 -2.172 -4.455 -0.389 1.00 0.42 H new ATOM 0 HB VAL A 129 -0.945 -2.942 0.852 1.00 0.52 H new ATOM 0 HG11 VAL A 129 -0.966 -0.495 0.437 1.00 0.73 H new ATOM 0 HG12 VAL A 129 -0.387 -1.405 -0.979 1.00 0.73 H new ATOM 0 HG13 VAL A 129 -2.046 -0.760 -0.953 1.00 0.73 H new ATOM 0 HG21 VAL A 129 -2.530 -1.456 1.989 1.00 0.79 H new ATOM 0 HG22 VAL A 129 -3.705 -1.719 0.679 1.00 0.79 H new ATOM 0 HG23 VAL A 129 -3.204 -3.080 1.711 1.00 0.79 H new ATOM 273 N LYS A 130 -4.431 -4.078 -1.258 1.00 0.36 N ATOM 274 CA LYS A 130 -5.762 -3.965 -1.786 1.00 0.33 C ATOM 275 C LYS A 130 -6.757 -3.912 -0.657 1.00 0.37 C ATOM 276 O LYS A 130 -6.802 -4.799 0.206 1.00 0.43 O ATOM 277 CB LYS A 130 -6.105 -5.117 -2.727 1.00 0.37 C ATOM 278 CG LYS A 130 -5.012 -5.438 -3.723 1.00 0.83 C ATOM 279 CD LYS A 130 -5.386 -6.618 -4.606 1.00 1.18 C ATOM 280 CE LYS A 130 -5.578 -7.883 -3.794 1.00 1.57 C ATOM 281 NZ LYS A 130 -5.884 -9.057 -4.651 1.00 1.50 N ATOM 0 H LYS A 130 -4.263 -4.943 -0.743 1.00 0.36 H new ATOM 0 HA LYS A 130 -5.810 -3.043 -2.365 1.00 0.33 H new ATOM 0 HB2 LYS A 130 -6.317 -6.007 -2.135 1.00 0.37 H new ATOM 0 HB3 LYS A 130 -7.018 -4.871 -3.270 1.00 0.37 H new ATOM 0 HG2 LYS A 130 -4.819 -4.564 -4.345 1.00 0.83 H new ATOM 0 HG3 LYS A 130 -4.088 -5.661 -3.190 1.00 0.83 H new ATOM 0 HD2 LYS A 130 -6.303 -6.391 -5.149 1.00 1.18 H new ATOM 0 HD3 LYS A 130 -4.606 -6.778 -5.351 1.00 1.18 H new ATOM 0 HE2 LYS A 130 -4.676 -8.082 -3.216 1.00 1.57 H new ATOM 0 HE3 LYS A 130 -6.388 -7.735 -3.080 1.00 1.57 H new ATOM 0 HZ1 LYS A 130 -5.741 -9.931 -4.106 1.00 1.50 H new ATOM 0 HZ2 LYS A 130 -6.872 -9.005 -4.970 1.00 1.50 H new ATOM 0 HZ3 LYS A 130 -5.253 -9.057 -5.477 1.00 1.50 H new ATOM 295 N LEU A 131 -7.553 -2.871 -0.680 1.00 0.38 N ATOM 296 CA LEU A 131 -8.410 -2.543 0.420 1.00 0.47 C ATOM 297 C LEU A 131 -9.845 -2.444 -0.081 1.00 0.45 C ATOM 298 O LEU A 131 -10.083 -1.928 -1.161 1.00 0.41 O ATOM 299 CB LEU A 131 -7.912 -1.223 1.002 1.00 0.51 C ATOM 300 CG LEU A 131 -6.380 -1.101 1.081 1.00 0.60 C ATOM 301 CD1 LEU A 131 -5.857 -0.221 -0.048 1.00 0.72 C ATOM 302 CD2 LEU A 131 -5.944 -0.548 2.425 1.00 0.96 C ATOM 0 H LEU A 131 -7.621 -2.228 -1.469 1.00 0.38 H new ATOM 0 HA LEU A 131 -8.391 -3.306 1.198 1.00 0.47 H new ATOM 0 HB2 LEU A 131 -8.299 -0.404 0.396 1.00 0.51 H new ATOM 0 HB3 LEU A 131 -8.326 -1.102 2.003 1.00 0.51 H new ATOM 0 HG LEU A 131 -5.957 -2.100 0.973 1.00 0.60 H new ATOM 0 HD11 LEU A 131 -4.772 -0.145 0.023 1.00 0.72 H new ATOM 0 HD12 LEU A 131 -6.128 -0.661 -1.008 1.00 0.72 H new ATOM 0 HD13 LEU A 131 -6.296 0.773 0.032 1.00 0.72 H new ATOM 0 HD21 LEU A 131 -4.857 -0.473 2.452 1.00 0.96 H new ATOM 0 HD22 LEU A 131 -6.380 0.440 2.570 1.00 0.96 H new ATOM 0 HD23 LEU A 131 -6.282 -1.214 3.219 1.00 0.96 H new ATOM 314 N ARG A 132 -10.795 -2.969 0.669 1.00 0.57 N ATOM 315 CA ARG A 132 -12.178 -2.990 0.211 1.00 0.63 C ATOM 316 C ARG A 132 -12.970 -1.828 0.811 1.00 0.60 C ATOM 317 O ARG A 132 -12.898 -1.572 2.010 1.00 0.67 O ATOM 318 CB ARG A 132 -12.832 -4.351 0.529 1.00 0.85 C ATOM 319 CG ARG A 132 -13.192 -4.574 1.991 1.00 1.32 C ATOM 320 CD ARG A 132 -14.649 -4.224 2.258 1.00 1.84 C ATOM 321 NE ARG A 132 -15.005 -4.347 3.670 1.00 2.53 N ATOM 322 CZ ARG A 132 -16.153 -3.911 4.190 1.00 3.25 C ATOM 323 NH1 ARG A 132 -17.098 -3.405 3.401 1.00 3.46 N ATOM 324 NH2 ARG A 132 -16.366 -4.016 5.495 1.00 4.13 N ATOM 0 H ARG A 132 -10.641 -3.383 1.588 1.00 0.57 H new ATOM 0 HA ARG A 132 -12.187 -2.862 -0.871 1.00 0.63 H new ATOM 0 HB2 ARG A 132 -13.737 -4.449 -0.070 1.00 0.85 H new ATOM 0 HB3 ARG A 132 -12.154 -5.144 0.214 1.00 0.85 H new ATOM 0 HG2 ARG A 132 -13.010 -5.615 2.258 1.00 1.32 H new ATOM 0 HG3 ARG A 132 -12.547 -3.965 2.624 1.00 1.32 H new ATOM 0 HD2 ARG A 132 -14.841 -3.204 1.926 1.00 1.84 H new ATOM 0 HD3 ARG A 132 -15.290 -4.878 1.667 1.00 1.84 H new ATOM 0 HE ARG A 132 -14.335 -4.793 4.296 1.00 2.53 H new ATOM 0 HH11 ARG A 132 -16.946 -3.349 2.394 1.00 3.46 H new ATOM 0 HH12 ARG A 132 -17.974 -3.073 3.803 1.00 3.46 H new ATOM 0 HH21 ARG A 132 -15.653 -4.429 6.096 1.00 4.13 H new ATOM 0 HH22 ARG A 132 -17.243 -3.684 5.897 1.00 4.13 H new ATOM 338 N VAL A 133 -13.717 -1.126 -0.035 1.00 0.60 N ATOM 339 CA VAL A 133 -14.498 0.028 0.395 1.00 0.57 C ATOM 340 C VAL A 133 -15.949 -0.355 0.626 1.00 0.81 C ATOM 341 O VAL A 133 -16.596 -0.940 -0.243 1.00 0.99 O ATOM 342 CB VAL A 133 -14.429 1.181 -0.636 1.00 0.62 C ATOM 343 CG1 VAL A 133 -15.579 2.168 -0.465 1.00 0.81 C ATOM 344 CG2 VAL A 133 -13.109 1.912 -0.509 1.00 0.99 C ATOM 0 H VAL A 133 -13.798 -1.338 -1.029 1.00 0.60 H new ATOM 0 HA VAL A 133 -14.063 0.374 1.332 1.00 0.57 H new ATOM 0 HB VAL A 133 -14.513 0.738 -1.628 1.00 0.62 H new ATOM 0 HG11 VAL A 133 -15.492 2.961 -1.208 1.00 0.81 H new ATOM 0 HG12 VAL A 133 -16.528 1.648 -0.599 1.00 0.81 H new ATOM 0 HG13 VAL A 133 -15.541 2.602 0.534 1.00 0.81 H new ATOM 0 HG21 VAL A 133 -13.070 2.721 -1.238 1.00 0.99 H new ATOM 0 HG22 VAL A 133 -13.017 2.324 0.496 1.00 0.99 H new ATOM 0 HG23 VAL A 133 -12.289 1.218 -0.693 1.00 0.99 H new ATOM 354 N GLY A 134 -16.444 -0.028 1.806 1.00 0.96 N ATOM 355 CA GLY A 134 -17.820 -0.300 2.136 1.00 1.24 C ATOM 356 C GLY A 134 -18.543 0.932 2.595 1.00 1.32 C ATOM 357 O GLY A 134 -19.647 0.842 3.131 1.00 1.54 O ATOM 0 H GLY A 134 -15.910 0.426 2.547 1.00 0.96 H new ATOM 0 HA2 GLY A 134 -18.327 -0.714 1.264 1.00 1.24 H new ATOM 0 HA3 GLY A 134 -17.862 -1.058 2.919 1.00 1.24 H new ATOM 361 N VAL A 135 -17.929 2.089 2.394 1.00 1.26 N ATOM 362 CA VAL A 135 -18.490 3.315 2.908 1.00 1.46 C ATOM 363 C VAL A 135 -19.601 3.820 1.992 1.00 1.62 C ATOM 364 O VAL A 135 -20.465 4.598 2.396 1.00 2.18 O ATOM 365 CB VAL A 135 -17.402 4.395 3.089 1.00 1.46 C ATOM 366 CG1 VAL A 135 -16.799 4.798 1.749 1.00 1.28 C ATOM 367 CG2 VAL A 135 -17.951 5.607 3.825 1.00 1.79 C ATOM 0 H VAL A 135 -17.052 2.198 1.884 1.00 1.26 H new ATOM 0 HA VAL A 135 -18.917 3.104 3.888 1.00 1.46 H new ATOM 0 HB VAL A 135 -16.606 3.965 3.698 1.00 1.46 H new ATOM 0 HG11 VAL A 135 -16.036 5.560 1.908 1.00 1.28 H new ATOM 0 HG12 VAL A 135 -16.348 3.926 1.276 1.00 1.28 H new ATOM 0 HG13 VAL A 135 -17.581 5.197 1.103 1.00 1.28 H new ATOM 0 HG21 VAL A 135 -17.163 6.352 3.938 1.00 1.79 H new ATOM 0 HG22 VAL A 135 -18.776 6.035 3.256 1.00 1.79 H new ATOM 0 HG23 VAL A 135 -18.308 5.304 4.809 1.00 1.79 H new ATOM 377 N GLY A 136 -19.585 3.338 0.760 1.00 1.55 N ATOM 378 CA GLY A 136 -20.534 3.785 -0.228 1.00 1.67 C ATOM 379 C GLY A 136 -19.847 4.131 -1.527 1.00 1.53 C ATOM 380 O GLY A 136 -19.115 3.304 -2.077 1.00 1.55 O ATOM 0 H GLY A 136 -18.923 2.637 0.427 1.00 1.55 H new ATOM 0 HA2 GLY A 136 -21.276 3.006 -0.402 1.00 1.67 H new ATOM 0 HA3 GLY A 136 -21.070 4.657 0.147 1.00 1.67 H new ATOM 384 N PRO A 137 -20.052 5.347 -2.038 1.00 1.48 N ATOM 385 CA PRO A 137 -19.419 5.799 -3.270 1.00 1.43 C ATOM 386 C PRO A 137 -17.949 6.108 -3.086 1.00 1.16 C ATOM 387 O PRO A 137 -17.540 6.742 -2.112 1.00 1.06 O ATOM 388 CB PRO A 137 -20.194 7.070 -3.650 1.00 1.57 C ATOM 389 CG PRO A 137 -21.342 7.149 -2.697 1.00 1.71 C ATOM 390 CD PRO A 137 -20.931 6.378 -1.478 1.00 1.57 C ATOM 0 HA PRO A 137 -19.454 5.028 -4.040 1.00 1.43 H new ATOM 0 HB2 PRO A 137 -19.559 7.953 -3.571 1.00 1.57 H new ATOM 0 HB3 PRO A 137 -20.545 7.020 -4.681 1.00 1.57 H new ATOM 0 HG2 PRO A 137 -21.567 8.185 -2.444 1.00 1.71 H new ATOM 0 HG3 PRO A 137 -22.244 6.726 -3.139 1.00 1.71 H new ATOM 0 HD2 PRO A 137 -20.410 7.007 -0.756 1.00 1.57 H new ATOM 0 HD3 PRO A 137 -21.789 5.945 -0.963 1.00 1.57 H new ATOM 398 N LEU A 138 -17.162 5.629 -4.029 1.00 1.15 N ATOM 399 CA LEU A 138 -15.754 5.886 -4.068 1.00 0.96 C ATOM 400 C LEU A 138 -15.494 7.325 -4.455 1.00 0.97 C ATOM 401 O LEU A 138 -15.846 7.774 -5.545 1.00 1.14 O ATOM 402 CB LEU A 138 -15.106 4.951 -5.080 1.00 1.06 C ATOM 403 CG LEU A 138 -14.720 3.568 -4.560 1.00 0.85 C ATOM 404 CD1 LEU A 138 -13.795 3.700 -3.366 1.00 0.80 C ATOM 405 CD2 LEU A 138 -15.955 2.761 -4.198 1.00 1.69 C ATOM 0 H LEU A 138 -17.496 5.044 -4.795 1.00 1.15 H new ATOM 0 HA LEU A 138 -15.327 5.712 -3.080 1.00 0.96 H new ATOM 0 HB2 LEU A 138 -15.791 4.824 -5.919 1.00 1.06 H new ATOM 0 HB3 LEU A 138 -14.210 5.434 -5.470 1.00 1.06 H new ATOM 0 HG LEU A 138 -14.194 3.035 -5.352 1.00 0.85 H new ATOM 0 HD11 LEU A 138 -13.526 2.708 -3.003 1.00 0.80 H new ATOM 0 HD12 LEU A 138 -12.893 4.235 -3.662 1.00 0.80 H new ATOM 0 HD13 LEU A 138 -14.300 4.252 -2.573 1.00 0.80 H new ATOM 0 HD21 LEU A 138 -15.654 1.780 -3.830 1.00 1.69 H new ATOM 0 HD22 LEU A 138 -16.516 3.283 -3.423 1.00 1.69 H new ATOM 0 HD23 LEU A 138 -16.583 2.640 -5.081 1.00 1.69 H new ATOM 417 N GLN A 139 -14.892 8.031 -3.540 1.00 0.83 N ATOM 418 CA GLN A 139 -14.462 9.388 -3.752 1.00 0.88 C ATOM 419 C GLN A 139 -12.966 9.439 -3.531 1.00 0.75 C ATOM 420 O GLN A 139 -12.439 8.626 -2.787 1.00 0.66 O ATOM 421 CB GLN A 139 -15.201 10.322 -2.795 1.00 0.96 C ATOM 422 CG GLN A 139 -14.785 10.168 -1.341 1.00 0.86 C ATOM 423 CD GLN A 139 -15.284 8.875 -0.694 1.00 0.89 C ATOM 424 OE1 GLN A 139 -16.361 8.851 -0.104 1.00 1.11 O ATOM 425 NE2 GLN A 139 -14.519 7.789 -0.797 1.00 0.93 N ATOM 0 H GLN A 139 -14.682 7.675 -2.608 1.00 0.83 H new ATOM 0 HA GLN A 139 -14.689 9.716 -4.766 1.00 0.88 H new ATOM 0 HB2 GLN A 139 -15.030 11.353 -3.105 1.00 0.96 H new ATOM 0 HB3 GLN A 139 -16.272 10.138 -2.878 1.00 0.96 H new ATOM 0 HG2 GLN A 139 -13.697 10.200 -1.278 1.00 0.86 H new ATOM 0 HG3 GLN A 139 -15.162 11.018 -0.772 1.00 0.86 H new ATOM 0 HE21 GLN A 139 -13.629 7.837 -1.293 1.00 0.93 H new ATOM 0 HE22 GLN A 139 -14.823 6.909 -0.380 1.00 0.93 H new ATOM 434 N LEU A 140 -12.298 10.395 -4.181 1.00 0.83 N ATOM 435 CA LEU A 140 -10.830 10.409 -4.302 1.00 0.79 C ATOM 436 C LEU A 140 -10.123 10.259 -2.963 1.00 0.65 C ATOM 437 O LEU A 140 -8.966 9.841 -2.908 1.00 0.70 O ATOM 438 CB LEU A 140 -10.344 11.687 -4.998 1.00 0.98 C ATOM 439 CG LEU A 140 -10.296 11.632 -6.524 1.00 1.73 C ATOM 440 CD1 LEU A 140 -9.531 10.405 -6.942 1.00 2.38 C ATOM 441 CD2 LEU A 140 -11.692 11.636 -7.131 1.00 2.60 C ATOM 0 H LEU A 140 -12.755 11.183 -4.640 1.00 0.83 H new ATOM 0 HA LEU A 140 -10.573 9.542 -4.910 1.00 0.79 H new ATOM 0 HB2 LEU A 140 -10.995 12.510 -4.703 1.00 0.98 H new ATOM 0 HB3 LEU A 140 -9.346 11.922 -4.629 1.00 0.98 H new ATOM 0 HG LEU A 140 -9.790 12.524 -6.894 1.00 1.73 H new ATOM 0 HD11 LEU A 140 -9.490 10.355 -8.030 1.00 2.38 H new ATOM 0 HD12 LEU A 140 -8.518 10.454 -6.543 1.00 2.38 H new ATOM 0 HD13 LEU A 140 -10.030 9.516 -6.556 1.00 2.38 H new ATOM 0 HD21 LEU A 140 -11.616 11.596 -8.218 1.00 2.60 H new ATOM 0 HD22 LEU A 140 -12.247 10.768 -6.774 1.00 2.60 H new ATOM 0 HD23 LEU A 140 -12.214 12.547 -6.837 1.00 2.60 H new ATOM 453 N GLU A 141 -10.823 10.621 -1.902 1.00 0.63 N ATOM 454 CA GLU A 141 -10.308 10.533 -0.547 1.00 0.64 C ATOM 455 C GLU A 141 -10.108 9.093 -0.081 1.00 0.59 C ATOM 456 O GLU A 141 -9.599 8.856 1.016 1.00 0.70 O ATOM 457 CB GLU A 141 -11.259 11.231 0.398 1.00 0.78 C ATOM 458 CG GLU A 141 -12.433 10.394 0.810 1.00 1.06 C ATOM 459 CD GLU A 141 -13.423 11.180 1.646 1.00 1.78 C ATOM 460 OE1 GLU A 141 -13.508 10.923 2.866 1.00 2.58 O ATOM 461 OE2 GLU A 141 -14.122 12.052 1.089 1.00 2.05 O ATOM 0 H GLU A 141 -11.773 10.988 -1.957 1.00 0.63 H new ATOM 0 HA GLU A 141 -9.331 11.015 -0.544 1.00 0.64 H new ATOM 0 HB2 GLU A 141 -10.711 11.534 1.290 1.00 0.78 H new ATOM 0 HB3 GLU A 141 -11.624 12.142 -0.077 1.00 0.78 H new ATOM 0 HG2 GLU A 141 -12.934 10.009 -0.078 1.00 1.06 H new ATOM 0 HG3 GLU A 141 -12.083 9.532 1.378 1.00 1.06 H new ATOM 468 N ASP A 142 -10.488 8.136 -0.908 1.00 0.51 N ATOM 469 CA ASP A 142 -10.614 6.778 -0.459 1.00 0.51 C ATOM 470 C ASP A 142 -9.274 6.062 -0.384 1.00 0.50 C ATOM 471 O ASP A 142 -9.164 5.031 0.283 1.00 0.56 O ATOM 472 CB ASP A 142 -11.509 6.031 -1.443 1.00 0.57 C ATOM 473 CG ASP A 142 -10.838 5.781 -2.793 1.00 1.64 C ATOM 474 OD1 ASP A 142 -10.877 6.676 -3.654 1.00 2.37 O ATOM 475 OD2 ASP A 142 -10.263 4.684 -2.993 1.00 2.39 O ATOM 0 H ASP A 142 -10.713 8.283 -1.892 1.00 0.51 H new ATOM 0 HA ASP A 142 -11.036 6.794 0.546 1.00 0.51 H new ATOM 0 HB2 ASP A 142 -11.801 5.076 -1.007 1.00 0.57 H new ATOM 0 HB3 ASP A 142 -12.424 6.603 -1.599 1.00 0.57 H new ATOM 480 N VAL A 143 -8.251 6.606 -1.027 1.00 0.49 N ATOM 481 CA VAL A 143 -6.880 6.266 -0.695 1.00 0.47 C ATOM 482 C VAL A 143 -6.039 7.525 -0.544 1.00 0.47 C ATOM 483 O VAL A 143 -5.971 8.340 -1.465 1.00 0.59 O ATOM 484 CB VAL A 143 -6.207 5.307 -1.699 1.00 0.55 C ATOM 485 CG1 VAL A 143 -4.847 4.874 -1.170 1.00 0.53 C ATOM 486 CG2 VAL A 143 -7.074 4.085 -1.945 1.00 0.65 C ATOM 0 H VAL A 143 -8.347 7.285 -1.782 1.00 0.49 H new ATOM 0 HA VAL A 143 -6.934 5.731 0.253 1.00 0.47 H new ATOM 0 HB VAL A 143 -6.079 5.835 -2.644 1.00 0.55 H new ATOM 0 HG11 VAL A 143 -4.378 4.197 -1.884 1.00 0.53 H new ATOM 0 HG12 VAL A 143 -4.214 5.751 -1.031 1.00 0.53 H new ATOM 0 HG13 VAL A 143 -4.974 4.364 -0.215 1.00 0.53 H new ATOM 0 HG21 VAL A 143 -6.578 3.424 -2.656 1.00 0.65 H new ATOM 0 HG22 VAL A 143 -7.231 3.555 -1.006 1.00 0.65 H new ATOM 0 HG23 VAL A 143 -8.036 4.397 -2.350 1.00 0.65 H new ATOM 496 N ASP A 144 -5.403 7.700 0.595 1.00 0.40 N ATOM 497 CA ASP A 144 -4.406 8.749 0.726 1.00 0.41 C ATOM 498 C ASP A 144 -3.034 8.114 0.871 1.00 0.33 C ATOM 499 O ASP A 144 -2.693 7.584 1.920 1.00 0.33 O ATOM 500 CB ASP A 144 -4.702 9.668 1.909 1.00 0.47 C ATOM 501 CG ASP A 144 -3.681 10.774 2.053 1.00 0.91 C ATOM 502 OD1 ASP A 144 -3.812 11.804 1.365 1.00 1.11 O ATOM 503 OD2 ASP A 144 -2.734 10.614 2.851 1.00 1.52 O ATOM 0 H ASP A 144 -5.553 7.140 1.434 1.00 0.40 H new ATOM 0 HA ASP A 144 -4.433 9.368 -0.171 1.00 0.41 H new ATOM 0 HB2 ASP A 144 -5.692 10.106 1.786 1.00 0.47 H new ATOM 0 HB3 ASP A 144 -4.726 9.079 2.826 1.00 0.47 H new ATOM 508 N ALA A 145 -2.252 8.142 -0.182 1.00 0.38 N ATOM 509 CA ALA A 145 -0.976 7.467 -0.158 1.00 0.36 C ATOM 510 C ALA A 145 0.160 8.474 -0.230 1.00 0.39 C ATOM 511 O ALA A 145 0.270 9.229 -1.199 1.00 0.47 O ATOM 512 CB ALA A 145 -0.886 6.470 -1.304 1.00 0.48 C ATOM 0 H ALA A 145 -2.473 8.619 -1.056 1.00 0.38 H new ATOM 0 HA ALA A 145 -0.887 6.921 0.781 1.00 0.36 H new ATOM 0 HB1 ALA A 145 0.081 5.968 -1.274 1.00 0.48 H new ATOM 0 HB2 ALA A 145 -1.682 5.731 -1.207 1.00 0.48 H new ATOM 0 HB3 ALA A 145 -0.993 6.996 -2.253 1.00 0.48 H new ATOM 518 N ALA A 146 1.015 8.474 0.777 1.00 0.38 N ATOM 519 CA ALA A 146 2.130 9.407 0.812 1.00 0.49 C ATOM 520 C ALA A 146 3.409 8.676 0.495 1.00 0.48 C ATOM 521 O ALA A 146 3.627 7.580 0.992 1.00 0.66 O ATOM 522 CB ALA A 146 2.235 10.076 2.173 1.00 0.56 C ATOM 0 H ALA A 146 0.961 7.844 1.577 1.00 0.38 H new ATOM 0 HA ALA A 146 1.959 10.183 0.065 1.00 0.49 H new ATOM 0 HB1 ALA A 146 3.076 10.769 2.174 1.00 0.56 H new ATOM 0 HB2 ALA A 146 1.315 10.622 2.382 1.00 0.56 H new ATOM 0 HB3 ALA A 146 2.389 9.317 2.940 1.00 0.56 H new ATOM 528 N PHE A 147 4.251 9.240 -0.342 1.00 0.57 N ATOM 529 CA PHE A 147 5.490 8.588 -0.644 1.00 0.59 C ATOM 530 C PHE A 147 6.664 9.530 -0.535 1.00 0.68 C ATOM 531 O PHE A 147 6.663 10.635 -1.081 1.00 0.94 O ATOM 532 CB PHE A 147 5.420 7.908 -2.005 1.00 0.82 C ATOM 533 CG PHE A 147 5.871 6.504 -1.901 1.00 2.08 C ATOM 534 CD1 PHE A 147 7.155 6.240 -1.497 1.00 2.46 C ATOM 535 CD2 PHE A 147 5.018 5.456 -2.171 1.00 3.01 C ATOM 536 CE1 PHE A 147 7.595 4.943 -1.357 1.00 3.72 C ATOM 537 CE2 PHE A 147 5.446 4.160 -2.040 1.00 4.26 C ATOM 538 CZ PHE A 147 6.739 3.898 -1.631 1.00 4.62 C ATOM 0 H PHE A 147 4.099 10.131 -0.814 1.00 0.57 H new ATOM 0 HA PHE A 147 5.653 7.812 0.104 1.00 0.59 H new ATOM 0 HB2 PHE A 147 4.399 7.942 -2.384 1.00 0.82 H new ATOM 0 HB3 PHE A 147 6.043 8.445 -2.720 1.00 0.82 H new ATOM 0 HD1 PHE A 147 7.828 7.058 -1.287 1.00 2.46 H new ATOM 0 HD2 PHE A 147 4.005 5.657 -2.488 1.00 3.01 H new ATOM 0 HE1 PHE A 147 8.606 4.745 -1.034 1.00 3.72 H new ATOM 0 HE2 PHE A 147 4.772 3.344 -2.257 1.00 4.26 H new ATOM 0 HZ PHE A 147 7.078 2.878 -1.526 1.00 4.62 H new ATOM 548 N THR A 148 7.653 9.070 0.213 1.00 0.54 N ATOM 549 CA THR A 148 8.871 9.802 0.444 1.00 0.64 C ATOM 550 C THR A 148 10.032 9.030 -0.129 1.00 0.71 C ATOM 551 O THR A 148 9.898 7.844 -0.419 1.00 0.74 O ATOM 552 CB THR A 148 9.123 9.947 1.937 1.00 0.56 C ATOM 553 OG1 THR A 148 7.887 10.168 2.630 1.00 0.65 O ATOM 554 CG2 THR A 148 10.078 11.085 2.199 1.00 0.81 C ATOM 0 H THR A 148 7.625 8.164 0.680 1.00 0.54 H new ATOM 0 HA THR A 148 8.776 10.782 -0.023 1.00 0.64 H new ATOM 0 HB THR A 148 9.571 9.024 2.306 1.00 0.56 H new ATOM 0 HG1 THR A 148 8.062 10.258 3.590 1.00 0.65 H new ATOM 0 HG21 THR A 148 10.249 11.177 3.272 1.00 0.81 H new ATOM 0 HG22 THR A 148 11.025 10.888 1.696 1.00 0.81 H new ATOM 0 HG23 THR A 148 9.651 12.013 1.819 1.00 0.81 H new ATOM 562 N ASP A 149 11.189 9.677 -0.186 1.00 0.84 N ATOM 563 CA ASP A 149 12.371 9.072 -0.751 1.00 0.98 C ATOM 564 C ASP A 149 12.782 7.893 0.073 1.00 0.79 C ATOM 565 O ASP A 149 13.625 7.104 -0.330 1.00 0.92 O ATOM 566 CB ASP A 149 13.545 10.048 -0.794 1.00 1.23 C ATOM 567 CG ASP A 149 13.293 11.271 -1.651 1.00 1.87 C ATOM 568 OD1 ASP A 149 12.907 12.321 -1.102 1.00 2.28 O ATOM 569 OD2 ASP A 149 13.459 11.182 -2.886 1.00 2.17 O ATOM 0 H ASP A 149 11.326 10.628 0.157 1.00 0.84 H new ATOM 0 HA ASP A 149 12.121 8.771 -1.769 1.00 0.98 H new ATOM 0 HB2 ASP A 149 13.776 10.369 0.222 1.00 1.23 H new ATOM 0 HB3 ASP A 149 14.425 9.527 -1.171 1.00 1.23 H new ATOM 574 N THR A 150 12.235 7.806 1.259 1.00 0.56 N ATOM 575 CA THR A 150 12.555 6.714 2.109 1.00 0.54 C ATOM 576 C THR A 150 11.343 6.140 2.824 1.00 0.64 C ATOM 577 O THR A 150 11.494 5.289 3.669 1.00 0.88 O ATOM 578 CB THR A 150 13.631 7.110 3.131 1.00 0.53 C ATOM 579 OG1 THR A 150 13.199 8.241 3.906 1.00 0.67 O ATOM 580 CG2 THR A 150 14.924 7.442 2.415 1.00 0.59 C ATOM 0 H THR A 150 11.572 8.478 1.646 1.00 0.56 H new ATOM 0 HA THR A 150 12.944 5.930 1.460 1.00 0.54 H new ATOM 0 HB THR A 150 13.797 6.269 3.804 1.00 0.53 H new ATOM 0 HG1 THR A 150 12.310 8.062 4.279 1.00 0.67 H new ATOM 0 HG21 THR A 150 15.683 7.722 3.146 1.00 0.59 H new ATOM 0 HG22 THR A 150 15.264 6.571 1.855 1.00 0.59 H new ATOM 0 HG23 THR A 150 14.757 8.272 1.729 1.00 0.59 H new ATOM 588 N ASP A 151 10.135 6.590 2.527 1.00 0.55 N ATOM 589 CA ASP A 151 8.993 6.088 3.292 1.00 0.63 C ATOM 590 C ASP A 151 7.718 6.093 2.462 1.00 0.57 C ATOM 591 O ASP A 151 7.650 6.750 1.432 1.00 0.54 O ATOM 592 CB ASP A 151 8.757 6.910 4.575 1.00 0.71 C ATOM 593 CG ASP A 151 10.027 7.299 5.321 1.00 0.79 C ATOM 594 OD1 ASP A 151 10.413 6.582 6.264 1.00 0.97 O ATOM 595 OD2 ASP A 151 10.645 8.336 4.974 1.00 1.00 O ATOM 0 H ASP A 151 9.918 7.270 1.798 1.00 0.55 H new ATOM 0 HA ASP A 151 9.239 5.062 3.568 1.00 0.63 H new ATOM 0 HB2 ASP A 151 8.212 7.817 4.314 1.00 0.71 H new ATOM 0 HB3 ASP A 151 8.118 6.336 5.246 1.00 0.71 H new ATOM 600 N CYS A 152 6.701 5.366 2.921 1.00 0.66 N ATOM 601 CA CYS A 152 5.434 5.293 2.217 1.00 0.61 C ATOM 602 C CYS A 152 4.243 5.212 3.171 1.00 0.63 C ATOM 603 O CYS A 152 4.351 4.717 4.294 1.00 0.85 O ATOM 604 CB CYS A 152 5.429 4.094 1.281 1.00 0.97 C ATOM 605 SG CYS A 152 6.069 2.571 2.003 1.00 1.56 S ATOM 0 H CYS A 152 6.736 4.819 3.781 1.00 0.66 H new ATOM 0 HA CYS A 152 5.329 6.213 1.642 1.00 0.61 H new ATOM 0 HB2 CYS A 152 4.408 3.919 0.943 1.00 0.97 H new ATOM 0 HB3 CYS A 152 6.020 4.337 0.398 1.00 0.97 H new ATOM 0 HG CYS A 152 6.638 2.836 3.142 1.00 1.56 H new ATOM 611 N VAL A 153 3.112 5.712 2.689 1.00 0.49 N ATOM 612 CA VAL A 153 1.866 5.752 3.427 1.00 0.43 C ATOM 613 C VAL A 153 0.731 5.284 2.560 1.00 0.37 C ATOM 614 O VAL A 153 0.624 5.630 1.389 1.00 0.37 O ATOM 615 CB VAL A 153 1.567 7.173 3.958 1.00 0.43 C ATOM 616 CG1 VAL A 153 0.078 7.389 4.203 1.00 0.41 C ATOM 617 CG2 VAL A 153 2.360 7.446 5.227 1.00 0.60 C ATOM 0 H VAL A 153 3.039 6.109 1.752 1.00 0.49 H new ATOM 0 HA VAL A 153 1.968 5.084 4.282 1.00 0.43 H new ATOM 0 HB VAL A 153 1.877 7.880 3.188 1.00 0.43 H new ATOM 0 HG11 VAL A 153 -0.087 8.400 4.575 1.00 0.41 H new ATOM 0 HG12 VAL A 153 -0.468 7.253 3.269 1.00 0.41 H new ATOM 0 HG13 VAL A 153 -0.278 6.669 4.940 1.00 0.41 H new ATOM 0 HG21 VAL A 153 2.137 8.451 5.586 1.00 0.60 H new ATOM 0 HG22 VAL A 153 2.086 6.718 5.991 1.00 0.60 H new ATOM 0 HG23 VAL A 153 3.426 7.365 5.014 1.00 0.60 H new ATOM 627 N VAL A 154 -0.071 4.457 3.158 1.00 0.36 N ATOM 628 CA VAL A 154 -1.295 3.998 2.586 1.00 0.34 C ATOM 629 C VAL A 154 -2.427 4.442 3.478 1.00 0.28 C ATOM 630 O VAL A 154 -2.377 4.268 4.691 1.00 0.29 O ATOM 631 CB VAL A 154 -1.311 2.458 2.403 1.00 0.40 C ATOM 632 CG1 VAL A 154 -2.136 1.770 3.437 1.00 0.38 C ATOM 633 CG2 VAL A 154 -1.808 2.112 1.028 1.00 0.45 C ATOM 0 H VAL A 154 0.116 4.073 4.084 1.00 0.36 H new ATOM 0 HA VAL A 154 -1.405 4.427 1.590 1.00 0.34 H new ATOM 0 HB VAL A 154 -0.287 2.105 2.525 1.00 0.40 H new ATOM 0 HG11 VAL A 154 -2.114 0.694 3.264 1.00 0.38 H new ATOM 0 HG12 VAL A 154 -1.734 1.986 4.427 1.00 0.38 H new ATOM 0 HG13 VAL A 154 -3.165 2.126 3.378 1.00 0.38 H new ATOM 0 HG21 VAL A 154 -1.817 1.029 0.906 1.00 0.45 H new ATOM 0 HG22 VAL A 154 -2.818 2.500 0.898 1.00 0.45 H new ATOM 0 HG23 VAL A 154 -1.150 2.556 0.281 1.00 0.45 H new ATOM 643 N ARG A 155 -3.387 5.116 2.921 1.00 0.30 N ATOM 644 CA ARG A 155 -4.539 5.463 3.698 1.00 0.33 C ATOM 645 C ARG A 155 -5.826 5.001 3.042 1.00 0.45 C ATOM 646 O ARG A 155 -6.008 5.144 1.840 1.00 0.63 O ATOM 647 CB ARG A 155 -4.532 6.955 3.979 1.00 0.46 C ATOM 648 CG ARG A 155 -5.697 7.451 4.796 1.00 0.79 C ATOM 649 CD ARG A 155 -6.679 8.188 3.913 1.00 1.06 C ATOM 650 NE ARG A 155 -7.579 9.048 4.680 1.00 1.59 N ATOM 651 CZ ARG A 155 -8.124 10.168 4.211 1.00 1.99 C ATOM 652 NH1 ARG A 155 -7.895 10.556 2.962 1.00 2.40 N ATOM 653 NH2 ARG A 155 -8.916 10.888 4.991 1.00 2.42 N ATOM 0 H ARG A 155 -3.398 5.432 1.951 1.00 0.30 H new ATOM 0 HA ARG A 155 -4.491 4.937 4.651 1.00 0.33 H new ATOM 0 HB2 ARG A 155 -3.608 7.208 4.499 1.00 0.46 H new ATOM 0 HB3 ARG A 155 -4.519 7.489 3.029 1.00 0.46 H new ATOM 0 HG2 ARG A 155 -6.193 6.611 5.282 1.00 0.79 H new ATOM 0 HG3 ARG A 155 -5.341 8.112 5.587 1.00 0.79 H new ATOM 0 HD2 ARG A 155 -6.131 8.792 3.190 1.00 1.06 H new ATOM 0 HD3 ARG A 155 -7.266 7.466 3.345 1.00 1.06 H new ATOM 0 HE ARG A 155 -7.804 8.772 5.636 1.00 1.59 H new ATOM 0 HH11 ARG A 155 -7.298 9.994 2.355 1.00 2.40 H new ATOM 0 HH12 ARG A 155 -8.316 11.416 2.610 1.00 2.40 H new ATOM 0 HH21 ARG A 155 -9.105 10.583 5.946 1.00 2.42 H new ATOM 0 HH22 ARG A 155 -9.336 11.747 4.637 1.00 2.42 H new ATOM 667 N PHE A 156 -6.700 4.446 3.852 1.00 0.44 N ATOM 668 CA PHE A 156 -8.030 4.054 3.423 1.00 0.49 C ATOM 669 C PHE A 156 -8.988 5.236 3.574 1.00 0.57 C ATOM 670 O PHE A 156 -8.653 6.197 4.254 1.00 0.71 O ATOM 671 CB PHE A 156 -8.548 2.898 4.285 1.00 0.60 C ATOM 672 CG PHE A 156 -9.808 2.274 3.768 1.00 0.59 C ATOM 673 CD1 PHE A 156 -9.804 1.551 2.591 1.00 0.56 C ATOM 674 CD2 PHE A 156 -10.998 2.422 4.458 1.00 0.77 C ATOM 675 CE1 PHE A 156 -10.967 0.989 2.111 1.00 0.65 C ATOM 676 CE2 PHE A 156 -12.163 1.862 3.982 1.00 0.82 C ATOM 677 CZ PHE A 156 -12.147 1.145 2.809 1.00 0.72 C ATOM 0 H PHE A 156 -6.509 4.251 4.835 1.00 0.44 H new ATOM 0 HA PHE A 156 -7.977 3.740 2.381 1.00 0.49 H new ATOM 0 HB2 PHE A 156 -7.775 2.132 4.351 1.00 0.60 H new ATOM 0 HB3 PHE A 156 -8.723 3.262 5.297 1.00 0.60 H new ATOM 0 HD1 PHE A 156 -8.882 1.425 2.043 1.00 0.56 H new ATOM 0 HD2 PHE A 156 -11.014 2.983 5.381 1.00 0.77 H new ATOM 0 HE1 PHE A 156 -10.955 0.427 1.189 1.00 0.65 H new ATOM 0 HE2 PHE A 156 -13.086 1.986 4.529 1.00 0.82 H new ATOM 0 HZ PHE A 156 -13.058 0.704 2.434 1.00 0.72 H new ATOM 687 N ALA A 157 -10.182 5.155 2.990 1.00 0.57 N ATOM 688 CA ALA A 157 -11.165 6.233 3.117 1.00 0.65 C ATOM 689 C ALA A 157 -11.424 6.561 4.588 1.00 0.77 C ATOM 690 O ALA A 157 -11.699 7.709 4.943 1.00 0.95 O ATOM 691 CB ALA A 157 -12.463 5.852 2.428 1.00 0.71 C ATOM 0 H ALA A 157 -10.492 4.362 2.428 1.00 0.57 H new ATOM 0 HA ALA A 157 -10.759 7.121 2.633 1.00 0.65 H new ATOM 0 HB1 ALA A 157 -13.182 6.664 2.532 1.00 0.71 H new ATOM 0 HB2 ALA A 157 -12.273 5.669 1.370 1.00 0.71 H new ATOM 0 HB3 ALA A 157 -12.867 4.949 2.886 1.00 0.71 H new ATOM 697 N GLY A 158 -11.306 5.552 5.441 1.00 0.76 N ATOM 698 CA GLY A 158 -11.423 5.765 6.867 1.00 0.94 C ATOM 699 C GLY A 158 -11.077 4.527 7.660 1.00 0.91 C ATOM 700 O GLY A 158 -11.651 3.462 7.440 1.00 1.81 O ATOM 0 H GLY A 158 -11.130 4.585 5.167 1.00 0.76 H new ATOM 0 HA2 GLY A 158 -10.765 6.581 7.166 1.00 0.94 H new ATOM 0 HA3 GLY A 158 -12.441 6.073 7.104 1.00 0.94 H new ATOM 704 N GLY A 159 -10.127 4.657 8.573 1.00 0.72 N ATOM 705 CA GLY A 159 -9.753 3.539 9.411 1.00 0.81 C ATOM 706 C GLY A 159 -8.395 2.967 9.056 1.00 0.60 C ATOM 707 O GLY A 159 -7.371 3.420 9.569 1.00 0.78 O ATOM 0 H GLY A 159 -9.608 5.518 8.748 1.00 0.72 H new ATOM 0 HA2 GLY A 159 -9.746 3.858 10.453 1.00 0.81 H new ATOM 0 HA3 GLY A 159 -10.506 2.756 9.322 1.00 0.81 H new ATOM 711 N GLN A 160 -8.388 1.967 8.182 1.00 0.50 N ATOM 712 CA GLN A 160 -7.171 1.273 7.823 1.00 0.47 C ATOM 713 C GLN A 160 -6.200 2.154 7.046 1.00 0.40 C ATOM 714 O GLN A 160 -6.505 2.720 6.014 1.00 0.56 O ATOM 715 CB GLN A 160 -7.525 -0.013 7.102 1.00 0.71 C ATOM 716 CG GLN A 160 -7.814 0.145 5.650 1.00 0.64 C ATOM 717 CD GLN A 160 -8.001 -1.187 4.958 1.00 1.08 C ATOM 718 OE1 GLN A 160 -7.344 -2.167 5.295 1.00 1.43 O ATOM 719 NE2 GLN A 160 -8.924 -1.246 4.016 1.00 2.02 N ATOM 0 H GLN A 160 -9.223 1.621 7.709 1.00 0.50 H new ATOM 0 HA GLN A 160 -6.630 1.014 8.733 1.00 0.47 H new ATOM 0 HB2 GLN A 160 -6.702 -0.718 7.220 1.00 0.71 H new ATOM 0 HB3 GLN A 160 -8.396 -0.456 7.585 1.00 0.71 H new ATOM 0 HG2 GLN A 160 -8.713 0.748 5.523 1.00 0.64 H new ATOM 0 HG3 GLN A 160 -6.997 0.688 5.175 1.00 0.64 H new ATOM 0 HE21 GLN A 160 -9.450 -0.409 3.764 1.00 2.02 H new ATOM 0 HE22 GLN A 160 -9.112 -2.129 3.540 1.00 2.02 H new ATOM 728 N GLN A 161 -5.029 2.301 7.597 1.00 0.38 N ATOM 729 CA GLN A 161 -3.978 3.063 6.976 1.00 0.34 C ATOM 730 C GLN A 161 -2.638 2.479 7.389 1.00 0.39 C ATOM 731 O GLN A 161 -2.392 2.185 8.557 1.00 0.46 O ATOM 732 CB GLN A 161 -4.120 4.558 7.290 1.00 0.35 C ATOM 733 CG GLN A 161 -4.445 4.873 8.744 1.00 1.08 C ATOM 734 CD GLN A 161 -4.867 6.318 8.943 1.00 1.12 C ATOM 735 OE1 GLN A 161 -6.048 6.654 8.839 1.00 1.77 O ATOM 736 NE2 GLN A 161 -3.911 7.183 9.238 1.00 1.46 N ATOM 0 H GLN A 161 -4.773 1.893 8.496 1.00 0.38 H new ATOM 0 HA GLN A 161 -4.049 2.991 5.891 1.00 0.34 H new ATOM 0 HB2 GLN A 161 -3.191 5.062 7.022 1.00 0.35 H new ATOM 0 HB3 GLN A 161 -4.903 4.976 6.658 1.00 0.35 H new ATOM 0 HG2 GLN A 161 -5.243 4.214 9.086 1.00 1.08 H new ATOM 0 HG3 GLN A 161 -3.572 4.664 9.362 1.00 1.08 H new ATOM 0 HE21 GLN A 161 -2.944 6.868 9.316 1.00 1.46 H new ATOM 0 HE22 GLN A 161 -4.141 8.165 9.388 1.00 1.46 H new ATOM 745 N TRP A 162 -1.794 2.308 6.401 1.00 0.39 N ATOM 746 CA TRP A 162 -0.663 1.410 6.454 1.00 0.47 C ATOM 747 C TRP A 162 0.493 2.081 5.786 1.00 0.50 C ATOM 748 O TRP A 162 0.354 3.178 5.275 1.00 0.47 O ATOM 749 CB TRP A 162 -0.969 0.099 5.743 1.00 0.50 C ATOM 750 CG TRP A 162 -2.347 -0.431 6.052 1.00 0.47 C ATOM 751 CD1 TRP A 162 -3.538 0.026 5.540 1.00 0.43 C ATOM 752 CD2 TRP A 162 -2.681 -1.495 6.953 1.00 0.53 C ATOM 753 NE1 TRP A 162 -4.581 -0.684 6.082 1.00 0.47 N ATOM 754 CE2 TRP A 162 -4.083 -1.626 6.939 1.00 0.52 C ATOM 755 CE3 TRP A 162 -1.937 -2.352 7.770 1.00 0.62 C ATOM 756 CZ2 TRP A 162 -4.751 -2.574 7.708 1.00 0.60 C ATOM 757 CZ3 TRP A 162 -2.602 -3.295 8.531 1.00 0.68 C ATOM 758 CH2 TRP A 162 -3.998 -3.397 8.497 1.00 0.67 C ATOM 0 H TRP A 162 -1.876 2.803 5.513 1.00 0.39 H new ATOM 0 HA TRP A 162 -0.433 1.181 7.495 1.00 0.47 H new ATOM 0 HB2 TRP A 162 -0.875 0.245 4.667 1.00 0.50 H new ATOM 0 HB3 TRP A 162 -0.226 -0.646 6.030 1.00 0.50 H new ATOM 0 HD1 TRP A 162 -3.638 0.824 4.819 1.00 0.43 H new ATOM 0 HE1 TRP A 162 -5.569 -0.533 5.878 1.00 0.47 H new ATOM 0 HE3 TRP A 162 -0.860 -2.278 7.806 1.00 0.62 H new ATOM 0 HZ2 TRP A 162 -5.828 -2.656 7.682 1.00 0.60 H new ATOM 0 HZ3 TRP A 162 -2.036 -3.964 9.162 1.00 0.68 H new ATOM 0 HH2 TRP A 162 -4.489 -4.141 9.107 1.00 0.67 H new ATOM 769 N GLY A 163 1.636 1.481 5.853 1.00 0.58 N ATOM 770 CA GLY A 163 2.762 2.063 5.205 1.00 0.63 C ATOM 771 C GLY A 163 3.995 1.204 5.306 1.00 0.62 C ATOM 772 O GLY A 163 3.921 0.016 5.624 1.00 0.63 O ATOM 0 H GLY A 163 1.813 0.603 6.341 1.00 0.58 H new ATOM 0 HA2 GLY A 163 2.525 2.231 4.154 1.00 0.63 H new ATOM 0 HA3 GLY A 163 2.966 3.039 5.646 1.00 0.63 H new ATOM 776 N GLY A 164 5.122 1.833 5.076 1.00 0.66 N ATOM 777 CA GLY A 164 6.393 1.164 5.075 1.00 0.66 C ATOM 778 C GLY A 164 7.490 2.194 5.042 1.00 0.63 C ATOM 779 O GLY A 164 7.253 3.342 4.664 1.00 0.69 O ATOM 0 H GLY A 164 5.179 2.833 4.883 1.00 0.66 H new ATOM 0 HA2 GLY A 164 6.490 0.539 5.963 1.00 0.66 H new ATOM 0 HA3 GLY A 164 6.470 0.504 4.211 1.00 0.66 H new ATOM 783 N VAL A 165 8.669 1.802 5.430 1.00 0.61 N ATOM 784 CA VAL A 165 9.739 2.724 5.647 1.00 0.59 C ATOM 785 C VAL A 165 11.040 2.118 5.130 1.00 0.60 C ATOM 786 O VAL A 165 11.355 0.954 5.390 1.00 0.78 O ATOM 787 CB VAL A 165 9.806 3.075 7.141 1.00 0.73 C ATOM 788 CG1 VAL A 165 11.229 3.368 7.598 1.00 0.96 C ATOM 789 CG2 VAL A 165 8.898 4.256 7.444 1.00 0.88 C ATOM 0 H VAL A 165 8.914 0.827 5.605 1.00 0.61 H new ATOM 0 HA VAL A 165 9.571 3.651 5.098 1.00 0.59 H new ATOM 0 HB VAL A 165 9.461 2.204 7.698 1.00 0.73 H new ATOM 0 HG11 VAL A 165 11.227 3.611 8.661 1.00 0.96 H new ATOM 0 HG12 VAL A 165 11.854 2.491 7.427 1.00 0.96 H new ATOM 0 HG13 VAL A 165 11.626 4.212 7.033 1.00 0.96 H new ATOM 0 HG21 VAL A 165 8.954 4.495 8.506 1.00 0.88 H new ATOM 0 HG22 VAL A 165 9.217 5.119 6.860 1.00 0.88 H new ATOM 0 HG23 VAL A 165 7.871 4.001 7.183 1.00 0.88 H new ATOM 799 N PHE A 166 11.763 2.911 4.392 1.00 0.55 N ATOM 800 CA PHE A 166 12.969 2.527 3.736 1.00 0.61 C ATOM 801 C PHE A 166 14.053 3.507 4.154 1.00 0.61 C ATOM 802 O PHE A 166 13.767 4.573 4.687 1.00 0.84 O ATOM 803 CB PHE A 166 12.720 2.579 2.234 1.00 1.00 C ATOM 804 CG PHE A 166 11.666 1.606 1.778 1.00 1.66 C ATOM 805 CD1 PHE A 166 11.906 0.239 1.815 1.00 1.99 C ATOM 806 CD2 PHE A 166 10.443 2.053 1.301 1.00 2.17 C ATOM 807 CE1 PHE A 166 10.948 -0.659 1.384 1.00 2.71 C ATOM 808 CE2 PHE A 166 9.483 1.158 0.870 1.00 2.96 C ATOM 809 CZ PHE A 166 9.702 -0.185 0.960 1.00 3.19 C ATOM 0 H PHE A 166 11.512 3.886 4.227 1.00 0.55 H new ATOM 0 HA PHE A 166 13.284 1.518 4.003 1.00 0.61 H new ATOM 0 HB2 PHE A 166 12.419 3.589 1.956 1.00 1.00 H new ATOM 0 HB3 PHE A 166 13.652 2.369 1.709 1.00 1.00 H new ATOM 0 HD1 PHE A 166 12.852 -0.127 2.185 1.00 1.99 H new ATOM 0 HD2 PHE A 166 10.239 3.113 1.266 1.00 2.17 H new ATOM 0 HE1 PHE A 166 11.160 -1.718 1.375 1.00 2.71 H new ATOM 0 HE2 PHE A 166 8.554 1.524 0.459 1.00 2.96 H new ATOM 0 HZ PHE A 166 8.916 -0.880 0.705 1.00 3.19 H new ATOM 819 N TYR A 167 15.287 3.140 3.969 1.00 0.74 N ATOM 820 CA TYR A 167 16.381 3.973 4.440 1.00 1.06 C ATOM 821 C TYR A 167 16.963 4.833 3.350 1.00 0.98 C ATOM 822 O TYR A 167 17.744 5.742 3.632 1.00 1.22 O ATOM 823 CB TYR A 167 17.470 3.155 5.147 1.00 1.45 C ATOM 824 CG TYR A 167 18.333 2.290 4.250 1.00 2.10 C ATOM 825 CD1 TYR A 167 17.862 1.065 3.790 1.00 2.48 C ATOM 826 CD2 TYR A 167 19.594 2.703 3.839 1.00 2.87 C ATOM 827 CE1 TYR A 167 18.623 0.277 2.951 1.00 3.52 C ATOM 828 CE2 TYR A 167 20.362 1.915 3.002 1.00 3.88 C ATOM 829 CZ TYR A 167 19.960 0.702 2.650 1.00 4.19 C ATOM 830 OH TYR A 167 20.624 -0.076 1.717 1.00 5.30 O ATOM 0 H TYR A 167 15.571 2.279 3.501 1.00 0.74 H new ATOM 0 HA TYR A 167 15.948 4.647 5.180 1.00 1.06 H new ATOM 0 HB2 TYR A 167 18.119 3.842 5.690 1.00 1.45 H new ATOM 0 HB3 TYR A 167 16.993 2.514 5.888 1.00 1.45 H new ATOM 0 HD1 TYR A 167 16.883 0.724 4.095 1.00 2.48 H new ATOM 0 HD2 TYR A 167 19.980 3.653 4.178 1.00 2.87 H new ATOM 0 HE1 TYR A 167 18.223 -0.635 2.532 1.00 3.52 H new ATOM 0 HE2 TYR A 167 21.303 2.293 2.630 1.00 3.88 H new ATOM 0 HH TYR A 167 21.524 0.284 1.572 1.00 5.30 H new ATOM 840 N ALA A 168 16.594 4.573 2.112 1.00 0.72 N ATOM 841 CA ALA A 168 17.315 5.151 1.024 1.00 0.72 C ATOM 842 C ALA A 168 16.497 5.154 -0.238 1.00 0.54 C ATOM 843 O ALA A 168 15.534 4.401 -0.377 1.00 0.67 O ATOM 844 CB ALA A 168 18.614 4.393 0.811 1.00 1.03 C ATOM 0 H ALA A 168 15.811 3.974 1.849 1.00 0.72 H new ATOM 0 HA ALA A 168 17.538 6.188 1.274 1.00 0.72 H new ATOM 0 HB1 ALA A 168 19.162 4.837 -0.020 1.00 1.03 H new ATOM 0 HB2 ALA A 168 19.220 4.448 1.716 1.00 1.03 H new ATOM 0 HB3 ALA A 168 18.394 3.350 0.585 1.00 1.03 H new ATOM 850 N GLU A 169 16.904 6.048 -1.116 1.00 0.55 N ATOM 851 CA GLU A 169 16.536 6.086 -2.553 1.00 0.73 C ATOM 852 C GLU A 169 15.072 6.365 -2.805 1.00 0.54 C ATOM 853 O GLU A 169 14.709 7.461 -3.228 1.00 0.78 O ATOM 854 CB GLU A 169 16.944 4.811 -3.335 1.00 1.19 C ATOM 855 CG GLU A 169 17.347 3.598 -2.511 1.00 1.40 C ATOM 856 CD GLU A 169 18.150 2.590 -3.305 1.00 1.80 C ATOM 857 OE1 GLU A 169 19.397 2.671 -3.289 1.00 2.18 O ATOM 858 OE2 GLU A 169 17.539 1.714 -3.949 1.00 2.02 O ATOM 0 H GLU A 169 17.529 6.811 -0.855 1.00 0.55 H new ATOM 0 HA GLU A 169 17.116 6.928 -2.930 1.00 0.73 H new ATOM 0 HB2 GLU A 169 16.110 4.524 -3.975 1.00 1.19 H new ATOM 0 HB3 GLU A 169 17.776 5.067 -3.991 1.00 1.19 H new ATOM 0 HG2 GLU A 169 17.932 3.926 -1.652 1.00 1.40 H new ATOM 0 HG3 GLU A 169 16.451 3.116 -2.121 1.00 1.40 H new ATOM 865 N ILE A 170 14.283 5.361 -2.502 1.00 0.56 N ATOM 866 CA ILE A 170 12.857 5.241 -2.831 1.00 0.54 C ATOM 867 C ILE A 170 12.182 6.524 -3.338 1.00 0.55 C ATOM 868 O ILE A 170 11.453 7.166 -2.607 1.00 0.65 O ATOM 869 CB ILE A 170 12.100 4.745 -1.578 1.00 0.67 C ATOM 870 CG1 ILE A 170 12.710 3.470 -1.045 1.00 0.97 C ATOM 871 CG2 ILE A 170 10.637 4.500 -1.841 1.00 0.83 C ATOM 872 CD1 ILE A 170 12.707 2.315 -2.018 1.00 1.07 C ATOM 0 H ILE A 170 14.628 4.550 -1.988 1.00 0.56 H new ATOM 0 HA ILE A 170 12.808 4.538 -3.662 1.00 0.54 H new ATOM 0 HB ILE A 170 12.190 5.544 -0.842 1.00 0.67 H new ATOM 0 HG12 ILE A 170 13.738 3.673 -0.746 1.00 0.97 H new ATOM 0 HG13 ILE A 170 12.169 3.172 -0.147 1.00 0.97 H new ATOM 0 HG21 ILE A 170 10.156 4.153 -0.926 1.00 0.83 H new ATOM 0 HG22 ILE A 170 10.166 5.427 -2.170 1.00 0.83 H new ATOM 0 HG23 ILE A 170 10.529 3.743 -2.617 1.00 0.83 H new ATOM 0 HD11 ILE A 170 13.164 1.443 -1.549 1.00 1.07 H new ATOM 0 HD12 ILE A 170 11.681 2.079 -2.300 1.00 1.07 H new ATOM 0 HD13 ILE A 170 13.274 2.588 -2.908 1.00 1.07 H new ATOM 884 N LYS A 171 12.424 6.910 -4.584 1.00 0.67 N ATOM 885 CA LYS A 171 11.578 7.930 -5.205 1.00 0.79 C ATOM 886 C LYS A 171 11.060 7.444 -6.534 1.00 0.84 C ATOM 887 O LYS A 171 10.197 8.056 -7.159 1.00 0.92 O ATOM 888 CB LYS A 171 12.378 9.196 -5.434 1.00 1.11 C ATOM 889 CG LYS A 171 13.817 8.908 -5.785 1.00 1.14 C ATOM 890 CD LYS A 171 14.596 10.196 -6.004 1.00 1.48 C ATOM 891 CE LYS A 171 15.894 10.209 -5.216 1.00 1.91 C ATOM 892 NZ LYS A 171 15.658 10.016 -3.763 1.00 2.68 N ATOM 0 H LYS A 171 13.174 6.548 -5.173 1.00 0.67 H new ATOM 0 HA LYS A 171 10.741 8.132 -4.537 1.00 0.79 H new ATOM 0 HB2 LYS A 171 11.919 9.773 -6.237 1.00 1.11 H new ATOM 0 HB3 LYS A 171 12.342 9.813 -4.537 1.00 1.11 H new ATOM 0 HG2 LYS A 171 14.281 8.330 -4.985 1.00 1.14 H new ATOM 0 HG3 LYS A 171 13.859 8.296 -6.686 1.00 1.14 H new ATOM 0 HD2 LYS A 171 14.814 10.313 -7.066 1.00 1.48 H new ATOM 0 HD3 LYS A 171 13.982 11.047 -5.708 1.00 1.48 H new ATOM 0 HE2 LYS A 171 16.551 9.422 -5.585 1.00 1.91 H new ATOM 0 HE3 LYS A 171 16.408 11.156 -5.378 1.00 1.91 H new ATOM 0 HZ1 LYS A 171 16.398 10.508 -3.223 1.00 2.68 H new ATOM 0 HZ2 LYS A 171 14.727 10.404 -3.508 1.00 2.68 H new ATOM 0 HZ3 LYS A 171 15.683 9.001 -3.539 1.00 2.68 H new ATOM 906 N SER A 172 11.605 6.338 -6.952 1.00 0.92 N ATOM 907 CA SER A 172 11.036 5.529 -7.987 1.00 1.13 C ATOM 908 C SER A 172 9.872 4.749 -7.427 1.00 1.05 C ATOM 909 O SER A 172 8.847 4.556 -8.065 1.00 1.12 O ATOM 910 CB SER A 172 12.139 4.669 -8.531 1.00 1.45 C ATOM 911 OG SER A 172 11.673 3.685 -9.433 1.00 1.86 O ATOM 0 H SER A 172 12.476 5.967 -6.573 1.00 0.92 H new ATOM 0 HA SER A 172 10.630 6.119 -8.809 1.00 1.13 H new ATOM 0 HB2 SER A 172 12.870 5.300 -9.035 1.00 1.45 H new ATOM 0 HB3 SER A 172 12.655 4.182 -7.704 1.00 1.45 H new ATOM 0 HG SER A 172 12.430 3.155 -9.758 1.00 1.86 H new ATOM 917 N SER A 173 10.071 4.309 -6.202 1.00 1.00 N ATOM 918 CA SER A 173 9.041 3.685 -5.420 1.00 1.09 C ATOM 919 C SER A 173 8.094 4.758 -4.916 1.00 0.94 C ATOM 920 O SER A 173 7.000 4.467 -4.461 1.00 1.14 O ATOM 921 CB SER A 173 9.669 2.906 -4.273 1.00 1.24 C ATOM 922 OG SER A 173 10.356 1.759 -4.751 1.00 1.47 O ATOM 0 H SER A 173 10.968 4.379 -5.721 1.00 1.00 H new ATOM 0 HA SER A 173 8.474 2.979 -6.027 1.00 1.09 H new ATOM 0 HB2 SER A 173 10.362 3.548 -3.729 1.00 1.24 H new ATOM 0 HB3 SER A 173 8.895 2.603 -3.568 1.00 1.24 H new ATOM 0 HG SER A 173 9.742 1.207 -5.279 1.00 1.47 H new ATOM 928 N CYS A 174 8.502 6.019 -5.094 1.00 0.76 N ATOM 929 CA CYS A 174 7.642 7.148 -4.780 1.00 0.85 C ATOM 930 C CYS A 174 6.623 7.269 -5.865 1.00 0.73 C ATOM 931 O CYS A 174 5.729 8.111 -5.819 1.00 0.88 O ATOM 932 CB CYS A 174 8.399 8.460 -4.751 1.00 1.09 C ATOM 933 SG CYS A 174 9.187 8.864 -3.187 1.00 1.63 S ATOM 0 H CYS A 174 9.421 6.276 -5.453 1.00 0.76 H new ATOM 0 HA CYS A 174 7.207 6.967 -3.797 1.00 0.85 H new ATOM 0 HB2 CYS A 174 9.164 8.436 -5.527 1.00 1.09 H new ATOM 0 HB3 CYS A 174 7.709 9.263 -5.008 1.00 1.09 H new ATOM 0 HG CYS A 174 9.957 7.882 -2.823 1.00 1.63 H new ATOM 939 N ALA A 175 6.801 6.451 -6.873 1.00 0.63 N ATOM 940 CA ALA A 175 5.809 6.326 -7.876 1.00 0.66 C ATOM 941 C ALA A 175 4.711 5.420 -7.339 1.00 0.59 C ATOM 942 O ALA A 175 4.977 4.286 -6.968 1.00 0.65 O ATOM 943 CB ALA A 175 6.396 5.796 -9.169 1.00 0.80 C ATOM 0 H ALA A 175 7.627 5.869 -7.008 1.00 0.63 H new ATOM 0 HA ALA A 175 5.391 7.304 -8.114 1.00 0.66 H new ATOM 0 HB1 ALA A 175 5.609 5.712 -9.918 1.00 0.80 H new ATOM 0 HB2 ALA A 175 7.166 6.480 -9.527 1.00 0.80 H new ATOM 0 HB3 ALA A 175 6.836 4.814 -8.993 1.00 0.80 H new ATOM 949 N LYS A 176 3.491 5.913 -7.277 1.00 0.60 N ATOM 950 CA LYS A 176 2.439 5.204 -6.565 1.00 0.59 C ATOM 951 C LYS A 176 1.168 5.204 -7.371 1.00 0.53 C ATOM 952 O LYS A 176 0.718 6.252 -7.842 1.00 0.66 O ATOM 953 CB LYS A 176 2.163 5.858 -5.212 1.00 0.83 C ATOM 954 CG LYS A 176 3.246 6.828 -4.772 1.00 0.84 C ATOM 955 CD LYS A 176 2.694 7.937 -3.895 1.00 1.59 C ATOM 956 CE LYS A 176 1.677 8.798 -4.625 1.00 2.27 C ATOM 957 NZ LYS A 176 1.189 9.919 -3.773 1.00 2.95 N ATOM 0 H LYS A 176 3.202 6.792 -7.705 1.00 0.60 H new ATOM 0 HA LYS A 176 2.777 4.180 -6.409 1.00 0.59 H new ATOM 0 HB2 LYS A 176 1.211 6.387 -5.261 1.00 0.83 H new ATOM 0 HB3 LYS A 176 2.056 5.079 -4.457 1.00 0.83 H new ATOM 0 HG2 LYS A 176 4.019 6.286 -4.227 1.00 0.84 H new ATOM 0 HG3 LYS A 176 3.721 7.263 -5.651 1.00 0.84 H new ATOM 0 HD2 LYS A 176 2.229 7.501 -3.011 1.00 1.59 H new ATOM 0 HD3 LYS A 176 3.515 8.564 -3.547 1.00 1.59 H new ATOM 0 HE2 LYS A 176 2.126 9.200 -5.533 1.00 2.27 H new ATOM 0 HE3 LYS A 176 0.833 8.181 -4.933 1.00 2.27 H new ATOM 0 HZ1 LYS A 176 0.402 10.402 -4.252 1.00 2.95 H new ATOM 0 HZ2 LYS A 176 0.861 9.544 -2.860 1.00 2.95 H new ATOM 0 HZ3 LYS A 176 1.963 10.595 -3.612 1.00 2.95 H new ATOM 971 N VAL A 177 0.589 4.038 -7.542 1.00 0.43 N ATOM 972 CA VAL A 177 -0.688 3.950 -8.234 1.00 0.41 C ATOM 973 C VAL A 177 -1.736 3.263 -7.396 1.00 0.37 C ATOM 974 O VAL A 177 -1.458 2.301 -6.689 1.00 0.41 O ATOM 975 CB VAL A 177 -0.587 3.276 -9.622 1.00 0.49 C ATOM 976 CG1 VAL A 177 -1.920 3.357 -10.352 1.00 0.68 C ATOM 977 CG2 VAL A 177 0.520 3.902 -10.456 1.00 0.77 C ATOM 0 H VAL A 177 0.969 3.148 -7.220 1.00 0.43 H new ATOM 0 HA VAL A 177 -0.996 4.982 -8.400 1.00 0.41 H new ATOM 0 HB VAL A 177 -0.338 2.226 -9.470 1.00 0.49 H new ATOM 0 HG11 VAL A 177 -1.831 2.878 -11.327 1.00 0.68 H new ATOM 0 HG12 VAL A 177 -2.687 2.849 -9.767 1.00 0.68 H new ATOM 0 HG13 VAL A 177 -2.199 4.402 -10.486 1.00 0.68 H new ATOM 0 HG21 VAL A 177 0.568 3.408 -11.427 1.00 0.77 H new ATOM 0 HG22 VAL A 177 0.313 4.963 -10.598 1.00 0.77 H new ATOM 0 HG23 VAL A 177 1.474 3.784 -9.942 1.00 0.77 H new ATOM 987 N GLN A 178 -2.946 3.786 -7.469 1.00 0.38 N ATOM 988 CA GLN A 178 -4.051 3.206 -6.763 1.00 0.37 C ATOM 989 C GLN A 178 -5.213 2.940 -7.697 1.00 0.33 C ATOM 990 O GLN A 178 -5.459 3.680 -8.651 1.00 0.40 O ATOM 991 CB GLN A 178 -4.478 4.082 -5.572 1.00 0.48 C ATOM 992 CG GLN A 178 -5.914 3.851 -5.115 1.00 0.64 C ATOM 993 CD GLN A 178 -6.864 4.942 -5.588 1.00 1.70 C ATOM 994 OE1 GLN A 178 -6.659 5.552 -6.636 1.00 2.52 O ATOM 995 NE2 GLN A 178 -7.914 5.194 -4.823 1.00 2.30 N ATOM 0 H GLN A 178 -3.179 4.615 -8.015 1.00 0.38 H new ATOM 0 HA GLN A 178 -3.722 2.248 -6.361 1.00 0.37 H new ATOM 0 HB2 GLN A 178 -3.806 3.892 -4.735 1.00 0.48 H new ATOM 0 HB3 GLN A 178 -4.359 5.131 -5.844 1.00 0.48 H new ATOM 0 HG2 GLN A 178 -6.259 2.887 -5.489 1.00 0.64 H new ATOM 0 HG3 GLN A 178 -5.941 3.799 -4.027 1.00 0.64 H new ATOM 0 HE21 GLN A 178 -8.054 4.669 -3.960 1.00 2.30 H new ATOM 0 HE22 GLN A 178 -8.584 5.913 -5.097 1.00 2.30 H new ATOM 1004 N THR A 179 -5.895 1.847 -7.424 1.00 0.32 N ATOM 1005 CA THR A 179 -7.064 1.457 -8.185 1.00 0.32 C ATOM 1006 C THR A 179 -8.275 1.431 -7.279 1.00 0.31 C ATOM 1007 O THR A 179 -8.211 0.873 -6.198 1.00 0.30 O ATOM 1008 CB THR A 179 -6.904 0.047 -8.774 1.00 0.33 C ATOM 1009 OG1 THR A 179 -5.602 -0.099 -9.360 1.00 0.36 O ATOM 1010 CG2 THR A 179 -7.970 -0.231 -9.825 1.00 0.42 C ATOM 0 H THR A 179 -5.655 1.204 -6.669 1.00 0.32 H new ATOM 0 HA THR A 179 -7.184 2.181 -8.991 1.00 0.32 H new ATOM 0 HB THR A 179 -7.021 -0.672 -7.963 1.00 0.33 H new ATOM 0 HG1 THR A 179 -5.261 -1.000 -9.179 1.00 0.36 H new ATOM 0 HG21 THR A 179 -7.833 -1.236 -10.225 1.00 0.42 H new ATOM 0 HG22 THR A 179 -8.958 -0.153 -9.371 1.00 0.42 H new ATOM 0 HG23 THR A 179 -7.883 0.496 -10.632 1.00 0.42 H new ATOM 1018 N ARG A 180 -9.355 2.045 -7.705 1.00 0.38 N ATOM 1019 CA ARG A 180 -10.619 1.886 -7.021 1.00 0.44 C ATOM 1020 C ARG A 180 -11.754 2.065 -7.998 1.00 0.55 C ATOM 1021 O ARG A 180 -11.691 2.890 -8.908 1.00 0.64 O ATOM 1022 CB ARG A 180 -10.737 2.825 -5.819 1.00 0.60 C ATOM 1023 CG ARG A 180 -10.603 4.309 -6.127 1.00 0.95 C ATOM 1024 CD ARG A 180 -11.932 4.927 -6.515 1.00 1.44 C ATOM 1025 NE ARG A 180 -11.973 6.356 -6.218 1.00 1.98 N ATOM 1026 CZ ARG A 180 -12.738 7.228 -6.864 1.00 2.68 C ATOM 1027 NH1 ARG A 180 -13.545 6.821 -7.832 1.00 3.12 N ATOM 1028 NH2 ARG A 180 -12.714 8.506 -6.530 1.00 3.41 N ATOM 0 H ARG A 180 -9.384 2.658 -8.520 1.00 0.38 H new ATOM 0 HA ARG A 180 -10.672 0.874 -6.619 1.00 0.44 H new ATOM 0 HB2 ARG A 180 -11.703 2.657 -5.343 1.00 0.60 H new ATOM 0 HB3 ARG A 180 -9.972 2.553 -5.092 1.00 0.60 H new ATOM 0 HG2 ARG A 180 -10.203 4.826 -5.255 1.00 0.95 H new ATOM 0 HG3 ARG A 180 -9.887 4.449 -6.937 1.00 0.95 H new ATOM 0 HD2 ARG A 180 -12.108 4.772 -7.579 1.00 1.44 H new ATOM 0 HD3 ARG A 180 -12.737 4.422 -5.982 1.00 1.44 H new ATOM 0 HE ARG A 180 -11.377 6.706 -5.468 1.00 1.98 H new ATOM 0 HH11 ARG A 180 -13.581 5.833 -8.084 1.00 3.12 H new ATOM 0 HH12 ARG A 180 -14.131 7.495 -8.325 1.00 3.12 H new ATOM 0 HH21 ARG A 180 -12.107 8.824 -5.775 1.00 3.41 H new ATOM 0 HH22 ARG A 180 -13.302 9.174 -7.028 1.00 3.41 H new ATOM 1042 N LYS A 181 -12.764 1.253 -7.818 1.00 0.61 N ATOM 1043 CA LYS A 181 -13.896 1.218 -8.716 1.00 0.75 C ATOM 1044 C LYS A 181 -15.084 0.639 -7.977 1.00 0.71 C ATOM 1045 O LYS A 181 -16.164 0.463 -8.534 1.00 0.89 O ATOM 1046 CB LYS A 181 -13.546 0.340 -9.926 1.00 0.91 C ATOM 1047 CG LYS A 181 -13.270 -1.114 -9.549 1.00 0.92 C ATOM 1048 CD LYS A 181 -14.515 -1.976 -9.707 1.00 1.36 C ATOM 1049 CE LYS A 181 -14.317 -3.384 -9.170 1.00 1.64 C ATOM 1050 NZ LYS A 181 -13.407 -4.201 -10.018 1.00 2.13 N ATOM 0 H LYS A 181 -12.827 0.594 -7.042 1.00 0.61 H new ATOM 0 HA LYS A 181 -14.141 2.222 -9.063 1.00 0.75 H new ATOM 0 HB2 LYS A 181 -14.367 0.374 -10.642 1.00 0.91 H new ATOM 0 HB3 LYS A 181 -12.670 0.753 -10.426 1.00 0.91 H new ATOM 0 HG2 LYS A 181 -12.471 -1.508 -10.176 1.00 0.92 H new ATOM 0 HG3 LYS A 181 -12.920 -1.164 -8.518 1.00 0.92 H new ATOM 0 HD2 LYS A 181 -15.348 -1.505 -9.185 1.00 1.36 H new ATOM 0 HD3 LYS A 181 -14.787 -2.027 -10.761 1.00 1.36 H new ATOM 0 HE2 LYS A 181 -13.913 -3.329 -8.159 1.00 1.64 H new ATOM 0 HE3 LYS A 181 -15.285 -3.881 -9.100 1.00 1.64 H new ATOM 0 HZ1 LYS A 181 -13.387 -5.179 -9.664 1.00 2.13 H new ATOM 0 HZ2 LYS A 181 -13.749 -4.195 -11.000 1.00 2.13 H new ATOM 0 HZ3 LYS A 181 -12.448 -3.801 -9.983 1.00 2.13 H new ATOM 1064 N GLY A 182 -14.863 0.343 -6.708 1.00 0.64 N ATOM 1065 CA GLY A 182 -15.813 -0.430 -5.961 1.00 0.73 C ATOM 1066 C GLY A 182 -15.214 -0.985 -4.695 1.00 0.65 C ATOM 1067 O GLY A 182 -14.753 -0.243 -3.832 1.00 0.78 O ATOM 0 H GLY A 182 -14.036 0.629 -6.184 1.00 0.64 H new ATOM 0 HA2 GLY A 182 -16.673 0.192 -5.713 1.00 0.73 H new ATOM 0 HA3 GLY A 182 -16.180 -1.250 -6.579 1.00 0.73 H new ATOM 1071 N SER A 183 -15.181 -2.299 -4.612 1.00 0.61 N ATOM 1072 CA SER A 183 -14.757 -2.979 -3.401 1.00 0.70 C ATOM 1073 C SER A 183 -13.271 -3.349 -3.424 1.00 0.66 C ATOM 1074 O SER A 183 -12.818 -4.132 -2.592 1.00 0.81 O ATOM 1075 CB SER A 183 -15.607 -4.232 -3.208 1.00 0.88 C ATOM 1076 OG SER A 183 -16.989 -3.938 -3.364 1.00 1.60 O ATOM 0 H SER A 183 -15.445 -2.923 -5.374 1.00 0.61 H new ATOM 0 HA SER A 183 -14.897 -2.292 -2.566 1.00 0.70 H new ATOM 0 HB2 SER A 183 -15.309 -4.993 -3.930 1.00 0.88 H new ATOM 0 HB3 SER A 183 -15.429 -4.647 -2.216 1.00 0.88 H new ATOM 0 HG SER A 183 -17.514 -4.756 -3.238 1.00 1.60 H new ATOM 1082 N LEU A 184 -12.512 -2.811 -4.373 1.00 0.53 N ATOM 1083 CA LEU A 184 -11.074 -3.053 -4.391 1.00 0.51 C ATOM 1084 C LEU A 184 -10.280 -1.766 -4.591 1.00 0.39 C ATOM 1085 O LEU A 184 -10.567 -0.966 -5.487 1.00 0.43 O ATOM 1086 CB LEU A 184 -10.699 -4.124 -5.429 1.00 0.68 C ATOM 1087 CG LEU A 184 -11.149 -3.880 -6.874 1.00 1.14 C ATOM 1088 CD1 LEU A 184 -10.142 -3.024 -7.635 1.00 1.80 C ATOM 1089 CD2 LEU A 184 -11.353 -5.209 -7.576 1.00 2.15 C ATOM 0 H LEU A 184 -12.859 -2.216 -5.125 1.00 0.53 H new ATOM 0 HA LEU A 184 -10.800 -3.440 -3.410 1.00 0.51 H new ATOM 0 HB2 LEU A 184 -9.615 -4.234 -5.426 1.00 0.68 H new ATOM 0 HB3 LEU A 184 -11.117 -5.076 -5.100 1.00 0.68 H new ATOM 0 HG LEU A 184 -12.092 -3.334 -6.852 1.00 1.14 H new ATOM 0 HD11 LEU A 184 -10.493 -2.871 -8.656 1.00 1.80 H new ATOM 0 HD12 LEU A 184 -10.036 -2.059 -7.139 1.00 1.80 H new ATOM 0 HD13 LEU A 184 -9.176 -3.529 -7.655 1.00 1.80 H new ATOM 0 HD21 LEU A 184 -11.673 -5.033 -8.603 1.00 2.15 H new ATOM 0 HD22 LEU A 184 -10.417 -5.767 -7.578 1.00 2.15 H new ATOM 0 HD23 LEU A 184 -12.116 -5.784 -7.052 1.00 2.15 H new ATOM 1101 N LEU A 185 -9.317 -1.564 -3.703 1.00 0.32 N ATOM 1102 CA LEU A 185 -8.382 -0.453 -3.767 1.00 0.30 C ATOM 1103 C LEU A 185 -6.983 -1.015 -3.913 1.00 0.29 C ATOM 1104 O LEU A 185 -6.661 -2.005 -3.299 1.00 0.48 O ATOM 1105 CB LEU A 185 -8.449 0.444 -2.519 1.00 0.38 C ATOM 1106 CG LEU A 185 -9.679 1.360 -2.399 1.00 0.55 C ATOM 1107 CD1 LEU A 185 -10.986 0.594 -2.531 1.00 0.99 C ATOM 1108 CD2 LEU A 185 -9.642 2.104 -1.076 1.00 1.07 C ATOM 0 H LEU A 185 -9.162 -2.179 -2.904 1.00 0.32 H new ATOM 0 HA LEU A 185 -8.649 0.169 -4.622 1.00 0.30 H new ATOM 0 HB2 LEU A 185 -8.412 -0.195 -1.637 1.00 0.38 H new ATOM 0 HB3 LEU A 185 -7.555 1.068 -2.499 1.00 0.38 H new ATOM 0 HG LEU A 185 -9.638 2.071 -3.224 1.00 0.55 H new ATOM 0 HD11 LEU A 185 -11.824 1.285 -2.439 1.00 0.99 H new ATOM 0 HD12 LEU A 185 -11.024 0.105 -3.504 1.00 0.99 H new ATOM 0 HD13 LEU A 185 -11.048 -0.158 -1.744 1.00 0.99 H new ATOM 0 HD21 LEU A 185 -10.516 2.751 -0.998 1.00 1.07 H new ATOM 0 HD22 LEU A 185 -9.647 1.387 -0.255 1.00 1.07 H new ATOM 0 HD23 LEU A 185 -8.737 2.709 -1.024 1.00 1.07 H new ATOM 1120 N HIS A 186 -6.187 -0.421 -4.757 1.00 0.27 N ATOM 1121 CA HIS A 186 -4.845 -0.922 -5.051 1.00 0.30 C ATOM 1122 C HIS A 186 -3.794 0.107 -4.699 1.00 0.40 C ATOM 1123 O HIS A 186 -4.024 1.279 -4.896 1.00 0.67 O ATOM 1124 CB HIS A 186 -4.691 -1.171 -6.543 1.00 0.44 C ATOM 1125 CG HIS A 186 -5.063 -2.536 -7.034 1.00 0.67 C ATOM 1126 ND1 HIS A 186 -5.552 -2.761 -8.302 1.00 1.18 N ATOM 1127 CD2 HIS A 186 -4.943 -3.749 -6.462 1.00 1.54 C ATOM 1128 CE1 HIS A 186 -5.718 -4.056 -8.486 1.00 1.51 C ATOM 1129 NE2 HIS A 186 -5.353 -4.686 -7.383 1.00 1.79 N ATOM 0 H HIS A 186 -6.437 0.426 -5.268 1.00 0.27 H new ATOM 0 HA HIS A 186 -4.716 -1.835 -4.469 1.00 0.30 H new ATOM 0 HB2 HIS A 186 -5.299 -0.439 -7.076 1.00 0.44 H new ATOM 0 HB3 HIS A 186 -3.653 -0.982 -6.815 1.00 0.44 H new ATOM 0 HD2 HIS A 186 -4.589 -3.950 -5.462 1.00 1.54 H new ATOM 0 HE1 HIS A 186 -6.090 -4.523 -9.386 1.00 1.51 H new ATOM 0 HE2 HIS A 186 -5.372 -5.696 -7.239 1.00 1.79 H new ATOM 1138 N LEU A 187 -2.680 -0.322 -4.146 1.00 0.32 N ATOM 1139 CA LEU A 187 -1.462 0.432 -4.247 1.00 0.37 C ATOM 1140 C LEU A 187 -0.522 -0.425 -5.034 1.00 0.36 C ATOM 1141 O LEU A 187 -0.231 -1.547 -4.600 1.00 0.35 O ATOM 1142 CB LEU A 187 -0.813 0.711 -2.899 1.00 0.43 C ATOM 1143 CG LEU A 187 0.156 1.910 -2.871 1.00 0.55 C ATOM 1144 CD1 LEU A 187 0.628 2.159 -1.463 1.00 1.38 C ATOM 1145 CD2 LEU A 187 1.357 1.696 -3.777 1.00 1.26 C ATOM 0 H LEU A 187 -2.599 -1.193 -3.621 1.00 0.32 H new ATOM 0 HA LEU A 187 -1.680 1.398 -4.701 1.00 0.37 H new ATOM 0 HB2 LEU A 187 -1.599 0.883 -2.164 1.00 0.43 H new ATOM 0 HB3 LEU A 187 -0.271 -0.181 -2.583 1.00 0.43 H new ATOM 0 HG LEU A 187 -0.391 2.777 -3.240 1.00 0.55 H new ATOM 0 HD11 LEU A 187 1.312 3.008 -1.453 1.00 1.38 H new ATOM 0 HD12 LEU A 187 -0.229 2.376 -0.825 1.00 1.38 H new ATOM 0 HD13 LEU A 187 1.143 1.274 -1.090 1.00 1.38 H new ATOM 0 HD21 LEU A 187 2.012 2.566 -3.725 1.00 1.26 H new ATOM 0 HD22 LEU A 187 1.904 0.810 -3.453 1.00 1.26 H new ATOM 0 HD23 LEU A 187 1.018 1.558 -4.804 1.00 1.26 H new ATOM 1157 N THR A 188 -0.096 0.076 -6.179 1.00 0.39 N ATOM 1158 CA THR A 188 0.962 -0.542 -6.934 1.00 0.44 C ATOM 1159 C THR A 188 2.271 0.156 -6.615 1.00 0.50 C ATOM 1160 O THR A 188 2.456 1.348 -6.906 1.00 0.55 O ATOM 1161 CB THR A 188 0.679 -0.517 -8.444 1.00 0.51 C ATOM 1162 OG1 THR A 188 0.095 0.729 -8.803 1.00 0.70 O ATOM 1163 CG2 THR A 188 -0.263 -1.645 -8.840 1.00 0.47 C ATOM 0 H THR A 188 -0.477 0.921 -6.605 1.00 0.39 H new ATOM 0 HA THR A 188 1.028 -1.591 -6.647 1.00 0.44 H new ATOM 0 HB THR A 188 1.625 -0.650 -8.970 1.00 0.51 H new ATOM 0 HG1 THR A 188 -0.860 0.603 -8.984 1.00 0.70 H new ATOM 0 HG21 THR A 188 -0.447 -1.605 -9.914 1.00 0.47 H new ATOM 0 HG22 THR A 188 0.189 -2.603 -8.585 1.00 0.47 H new ATOM 0 HG23 THR A 188 -1.207 -1.536 -8.306 1.00 0.47 H new ATOM 1171 N LEU A 189 3.137 -0.600 -5.968 1.00 0.52 N ATOM 1172 CA LEU A 189 4.383 -0.106 -5.416 1.00 0.58 C ATOM 1173 C LEU A 189 5.546 -0.634 -6.246 1.00 0.61 C ATOM 1174 O LEU A 189 5.877 -1.805 -6.118 1.00 0.67 O ATOM 1175 CB LEU A 189 4.515 -0.682 -4.005 1.00 0.67 C ATOM 1176 CG LEU A 189 5.373 0.075 -3.005 1.00 0.75 C ATOM 1177 CD1 LEU A 189 6.684 0.541 -3.614 1.00 1.08 C ATOM 1178 CD2 LEU A 189 4.570 1.223 -2.464 1.00 1.21 C ATOM 0 H LEU A 189 2.990 -1.597 -5.808 1.00 0.52 H new ATOM 0 HA LEU A 189 4.393 0.984 -5.413 1.00 0.58 H new ATOM 0 HB2 LEU A 189 3.513 -0.772 -3.585 1.00 0.67 H new ATOM 0 HB3 LEU A 189 4.916 -1.692 -4.092 1.00 0.67 H new ATOM 0 HG LEU A 189 5.649 -0.594 -2.190 1.00 0.75 H new ATOM 0 HD11 LEU A 189 7.264 1.077 -2.863 1.00 1.08 H new ATOM 0 HD12 LEU A 189 7.251 -0.323 -3.962 1.00 1.08 H new ATOM 0 HD13 LEU A 189 6.479 1.203 -4.455 1.00 1.08 H new ATOM 0 HD21 LEU A 189 5.170 1.779 -1.744 1.00 1.21 H new ATOM 0 HD22 LEU A 189 4.282 1.883 -3.282 1.00 1.21 H new ATOM 0 HD23 LEU A 189 3.675 0.841 -1.973 1.00 1.21 H new ATOM 1190 N PRO A 190 6.196 0.174 -7.087 1.00 0.66 N ATOM 1191 CA PRO A 190 7.336 -0.321 -7.854 1.00 0.73 C ATOM 1192 C PRO A 190 8.429 -0.834 -6.921 1.00 0.89 C ATOM 1193 O PRO A 190 8.910 -0.113 -6.043 1.00 0.98 O ATOM 1194 CB PRO A 190 7.816 0.912 -8.624 1.00 0.86 C ATOM 1195 CG PRO A 190 6.647 1.838 -8.641 1.00 0.86 C ATOM 1196 CD PRO A 190 5.893 1.579 -7.367 1.00 0.78 C ATOM 0 HA PRO A 190 7.079 -1.155 -8.508 1.00 0.73 H new ATOM 0 HB2 PRO A 190 8.676 1.371 -8.136 1.00 0.86 H new ATOM 0 HB3 PRO A 190 8.126 0.649 -9.636 1.00 0.86 H new ATOM 0 HG2 PRO A 190 6.973 2.877 -8.697 1.00 0.86 H new ATOM 0 HG3 PRO A 190 6.017 1.655 -9.511 1.00 0.86 H new ATOM 0 HD2 PRO A 190 6.226 2.232 -6.561 1.00 0.78 H new ATOM 0 HD3 PRO A 190 4.823 1.745 -7.490 1.00 0.78 H new ATOM 1204 N LYS A 191 8.812 -2.083 -7.121 1.00 1.06 N ATOM 1205 CA LYS A 191 9.807 -2.725 -6.286 1.00 1.32 C ATOM 1206 C LYS A 191 11.211 -2.403 -6.755 1.00 1.50 C ATOM 1207 O LYS A 191 11.539 -2.587 -7.926 1.00 1.61 O ATOM 1208 CB LYS A 191 9.573 -4.237 -6.255 1.00 1.60 C ATOM 1209 CG LYS A 191 10.648 -5.024 -5.520 1.00 1.99 C ATOM 1210 CD LYS A 191 10.219 -6.466 -5.322 1.00 2.64 C ATOM 1211 CE LYS A 191 11.362 -7.347 -4.853 1.00 3.26 C ATOM 1212 NZ LYS A 191 12.393 -7.526 -5.907 1.00 3.64 N ATOM 0 H LYS A 191 8.443 -2.677 -7.864 1.00 1.06 H new ATOM 0 HA LYS A 191 9.705 -2.336 -5.273 1.00 1.32 H new ATOM 0 HB2 LYS A 191 8.610 -4.434 -5.784 1.00 1.60 H new ATOM 0 HB3 LYS A 191 9.508 -4.603 -7.279 1.00 1.60 H new ATOM 0 HG2 LYS A 191 11.580 -4.991 -6.085 1.00 1.99 H new ATOM 0 HG3 LYS A 191 10.846 -4.562 -4.553 1.00 1.99 H new ATOM 0 HD2 LYS A 191 9.410 -6.505 -4.593 1.00 2.64 H new ATOM 0 HD3 LYS A 191 9.823 -6.857 -6.259 1.00 2.64 H new ATOM 0 HE2 LYS A 191 11.821 -6.906 -3.968 1.00 3.26 H new ATOM 0 HE3 LYS A 191 10.972 -8.321 -4.558 1.00 3.26 H new ATOM 0 HZ1 LYS A 191 12.825 -8.467 -5.814 1.00 3.64 H new ATOM 0 HZ2 LYS A 191 11.950 -7.440 -6.844 1.00 3.64 H new ATOM 0 HZ3 LYS A 191 13.127 -6.796 -5.802 1.00 3.64 H new ATOM 1226 N LYS A 192 12.038 -1.921 -5.844 1.00 1.73 N ATOM 1227 CA LYS A 192 13.440 -1.712 -6.157 1.00 2.06 C ATOM 1228 C LYS A 192 14.333 -2.196 -5.015 1.00 2.14 C ATOM 1229 O LYS A 192 15.542 -2.349 -5.183 1.00 2.45 O ATOM 1230 CB LYS A 192 13.720 -0.241 -6.487 1.00 2.43 C ATOM 1231 CG LYS A 192 13.922 0.656 -5.272 1.00 2.74 C ATOM 1232 CD LYS A 192 14.182 2.103 -5.678 1.00 3.41 C ATOM 1233 CE LYS A 192 15.273 2.218 -6.738 1.00 4.16 C ATOM 1234 NZ LYS A 192 16.546 1.573 -6.324 1.00 4.71 N ATOM 0 H LYS A 192 11.768 -1.670 -4.893 1.00 1.73 H new ATOM 0 HA LYS A 192 13.676 -2.303 -7.042 1.00 2.06 H new ATOM 0 HB2 LYS A 192 14.610 -0.186 -7.114 1.00 2.43 H new ATOM 0 HB3 LYS A 192 12.890 0.150 -7.076 1.00 2.43 H new ATOM 0 HG2 LYS A 192 13.039 0.610 -4.634 1.00 2.74 H new ATOM 0 HG3 LYS A 192 14.761 0.287 -4.682 1.00 2.74 H new ATOM 0 HD2 LYS A 192 13.260 2.543 -6.059 1.00 3.41 H new ATOM 0 HD3 LYS A 192 14.470 2.679 -4.799 1.00 3.41 H new ATOM 0 HE2 LYS A 192 14.924 1.761 -7.664 1.00 4.16 H new ATOM 0 HE3 LYS A 192 15.457 3.271 -6.951 1.00 4.16 H new ATOM 0 HZ1 LYS A 192 17.349 2.118 -6.697 1.00 4.71 H new ATOM 0 HZ2 LYS A 192 16.599 1.545 -5.286 1.00 4.71 H new ATOM 0 HZ3 LYS A 192 16.582 0.604 -6.699 1.00 4.71 H new ATOM 1248 N VAL A 193 13.728 -2.436 -3.856 1.00 2.09 N ATOM 1249 CA VAL A 193 14.453 -2.961 -2.704 1.00 2.30 C ATOM 1250 C VAL A 193 13.984 -4.371 -2.378 1.00 2.34 C ATOM 1251 O VAL A 193 12.952 -4.579 -1.736 1.00 2.29 O ATOM 1252 CB VAL A 193 14.322 -2.041 -1.469 1.00 2.58 C ATOM 1253 CG1 VAL A 193 15.228 -0.827 -1.612 1.00 2.90 C ATOM 1254 CG2 VAL A 193 12.875 -1.603 -1.264 1.00 2.95 C ATOM 0 H VAL A 193 12.735 -2.275 -3.689 1.00 2.09 H new ATOM 0 HA VAL A 193 15.510 -2.995 -2.970 1.00 2.30 H new ATOM 0 HB VAL A 193 14.632 -2.608 -0.591 1.00 2.58 H new ATOM 0 HG11 VAL A 193 15.124 -0.190 -0.734 1.00 2.90 H new ATOM 0 HG12 VAL A 193 16.264 -1.155 -1.702 1.00 2.90 H new ATOM 0 HG13 VAL A 193 14.947 -0.266 -2.503 1.00 2.90 H new ATOM 0 HG21 VAL A 193 12.811 -0.957 -0.389 1.00 2.95 H new ATOM 0 HG22 VAL A 193 12.532 -1.058 -2.143 1.00 2.95 H new ATOM 0 HG23 VAL A 193 12.247 -2.481 -1.113 1.00 2.95 H new ATOM 1264 N PRO A 194 14.726 -5.364 -2.869 1.00 2.59 N ATOM 1265 CA PRO A 194 14.358 -6.764 -2.761 1.00 2.88 C ATOM 1266 C PRO A 194 14.677 -7.396 -1.411 1.00 3.13 C ATOM 1267 O PRO A 194 15.555 -6.931 -0.684 1.00 3.21 O ATOM 1268 CB PRO A 194 15.185 -7.452 -3.853 1.00 3.34 C ATOM 1269 CG PRO A 194 15.985 -6.375 -4.510 1.00 3.19 C ATOM 1270 CD PRO A 194 16.000 -5.210 -3.568 1.00 2.80 C ATOM 0 HA PRO A 194 13.279 -6.873 -2.867 1.00 2.88 H new ATOM 0 HB2 PRO A 194 15.836 -8.215 -3.426 1.00 3.34 H new ATOM 0 HB3 PRO A 194 14.538 -7.952 -4.574 1.00 3.34 H new ATOM 0 HG2 PRO A 194 16.999 -6.718 -4.717 1.00 3.19 H new ATOM 0 HG3 PRO A 194 15.543 -6.094 -5.466 1.00 3.19 H new ATOM 0 HD2 PRO A 194 16.848 -5.250 -2.884 1.00 2.80 H new ATOM 0 HD3 PRO A 194 16.062 -4.259 -4.097 1.00 2.80 H new ATOM 1278 N MET A 195 13.880 -8.410 -1.079 1.00 3.35 N ATOM 1279 CA MET A 195 14.203 -9.441 -0.071 1.00 3.77 C ATOM 1280 C MET A 195 14.169 -8.896 1.341 1.00 3.52 C ATOM 1281 O MET A 195 14.609 -9.551 2.287 1.00 3.93 O ATOM 1282 CB MET A 195 15.563 -10.117 -0.328 1.00 4.38 C ATOM 1283 CG MET A 195 16.764 -9.336 0.189 1.00 4.43 C ATOM 1284 SD MET A 195 18.219 -10.374 0.417 1.00 5.16 S ATOM 1285 CE MET A 195 19.350 -9.202 1.163 1.00 5.60 C ATOM 0 H MET A 195 12.966 -8.549 -1.510 1.00 3.35 H new ATOM 0 HA MET A 195 13.422 -10.194 -0.173 1.00 3.77 H new ATOM 0 HB2 MET A 195 15.558 -11.102 0.138 1.00 4.38 H new ATOM 0 HB3 MET A 195 15.681 -10.272 -1.401 1.00 4.38 H new ATOM 0 HG2 MET A 195 17.000 -8.534 -0.511 1.00 4.43 H new ATOM 0 HG3 MET A 195 16.506 -8.865 1.138 1.00 4.43 H new ATOM 0 HE1 MET A 195 20.302 -9.693 1.366 1.00 5.60 H new ATOM 0 HE2 MET A 195 19.511 -8.367 0.481 1.00 5.60 H new ATOM 0 HE3 MET A 195 18.927 -8.831 2.097 1.00 5.60 H new ATOM 1295 N LEU A 196 13.621 -7.719 1.486 1.00 2.98 N ATOM 1296 CA LEU A 196 13.544 -7.093 2.778 1.00 2.89 C ATOM 1297 C LEU A 196 12.378 -7.672 3.550 1.00 2.64 C ATOM 1298 O LEU A 196 11.295 -7.879 3.001 1.00 2.41 O ATOM 1299 CB LEU A 196 13.366 -5.609 2.611 1.00 2.77 C ATOM 1300 CG LEU A 196 13.780 -4.748 3.811 1.00 3.23 C ATOM 1301 CD1 LEU A 196 15.263 -4.922 4.111 1.00 3.64 C ATOM 1302 CD2 LEU A 196 13.452 -3.281 3.556 1.00 3.80 C ATOM 0 H LEU A 196 13.220 -7.173 0.723 1.00 2.98 H new ATOM 0 HA LEU A 196 14.466 -7.279 3.329 1.00 2.89 H new ATOM 0 HB2 LEU A 196 13.941 -5.289 1.742 1.00 2.77 H new ATOM 0 HB3 LEU A 196 12.317 -5.410 2.390 1.00 2.77 H new ATOM 0 HG LEU A 196 13.215 -5.080 4.682 1.00 3.23 H new ATOM 0 HD11 LEU A 196 15.536 -4.303 4.965 1.00 3.64 H new ATOM 0 HD12 LEU A 196 15.468 -5.968 4.340 1.00 3.64 H new ATOM 0 HD13 LEU A 196 15.848 -4.620 3.242 1.00 3.64 H new ATOM 0 HD21 LEU A 196 13.753 -2.686 4.418 1.00 3.80 H new ATOM 0 HD22 LEU A 196 13.989 -2.936 2.672 1.00 3.80 H new ATOM 0 HD23 LEU A 196 12.380 -3.171 3.395 1.00 3.80 H new ATOM 1314 N THR A 197 12.607 -7.956 4.807 1.00 2.86 N ATOM 1315 CA THR A 197 11.631 -8.646 5.611 1.00 2.73 C ATOM 1316 C THR A 197 11.022 -7.722 6.645 1.00 2.44 C ATOM 1317 O THR A 197 11.695 -7.249 7.561 1.00 2.80 O ATOM 1318 CB THR A 197 12.307 -9.855 6.249 1.00 3.34 C ATOM 1319 OG1 THR A 197 13.257 -9.436 7.241 1.00 3.71 O ATOM 1320 CG2 THR A 197 13.028 -10.592 5.142 1.00 3.84 C ATOM 0 H THR A 197 13.468 -7.718 5.299 1.00 2.86 H new ATOM 0 HA THR A 197 10.805 -8.987 4.987 1.00 2.73 H new ATOM 0 HB THR A 197 11.568 -10.490 6.737 1.00 3.34 H new ATOM 0 HG1 THR A 197 13.062 -8.515 7.513 1.00 3.71 H new ATOM 0 HG21 THR A 197 13.528 -11.468 5.554 1.00 3.84 H new ATOM 0 HG22 THR A 197 12.309 -10.907 4.386 1.00 3.84 H new ATOM 0 HG23 THR A 197 13.767 -9.933 4.687 1.00 3.84 H new ATOM 1328 N TRP A 198 9.743 -7.462 6.471 1.00 2.12 N ATOM 1329 CA TRP A 198 9.038 -6.477 7.266 1.00 2.18 C ATOM 1330 C TRP A 198 8.552 -7.091 8.570 1.00 2.10 C ATOM 1331 O TRP A 198 8.234 -8.282 8.635 1.00 1.86 O ATOM 1332 CB TRP A 198 7.862 -5.926 6.458 1.00 2.35 C ATOM 1333 CG TRP A 198 7.919 -6.319 5.011 1.00 2.45 C ATOM 1334 CD1 TRP A 198 8.859 -5.947 4.090 1.00 2.79 C ATOM 1335 CD2 TRP A 198 7.000 -7.175 4.325 1.00 2.74 C ATOM 1336 NE1 TRP A 198 8.582 -6.529 2.877 1.00 2.99 N ATOM 1337 CE2 TRP A 198 7.442 -7.280 2.995 1.00 2.99 C ATOM 1338 CE3 TRP A 198 5.845 -7.863 4.708 1.00 3.25 C ATOM 1339 CZ2 TRP A 198 6.773 -8.047 2.048 1.00 3.56 C ATOM 1340 CZ3 TRP A 198 5.179 -8.623 3.766 1.00 3.96 C ATOM 1341 CH2 TRP A 198 5.646 -8.711 2.449 1.00 4.04 C ATOM 0 H TRP A 198 9.162 -7.928 5.774 1.00 2.12 H new ATOM 0 HA TRP A 198 9.717 -5.661 7.514 1.00 2.18 H new ATOM 0 HB2 TRP A 198 6.929 -6.285 6.891 1.00 2.35 H new ATOM 0 HB3 TRP A 198 7.851 -4.839 6.535 1.00 2.35 H new ATOM 0 HD1 TRP A 198 9.695 -5.293 4.287 1.00 2.79 H new ATOM 0 HE1 TRP A 198 9.135 -6.420 2.027 1.00 2.99 H new ATOM 0 HE3 TRP A 198 5.480 -7.801 5.722 1.00 3.25 H new ATOM 0 HZ2 TRP A 198 7.130 -8.116 1.031 1.00 3.56 H new ATOM 0 HZ3 TRP A 198 4.284 -9.157 4.050 1.00 3.96 H new ATOM 0 HH2 TRP A 198 5.106 -9.315 1.735 1.00 4.04 H new ATOM 1352 N PRO A 199 8.504 -6.271 9.630 1.00 2.57 N ATOM 1353 CA PRO A 199 8.169 -6.716 10.986 1.00 2.78 C ATOM 1354 C PRO A 199 6.692 -7.075 11.100 1.00 2.32 C ATOM 1355 O PRO A 199 6.282 -7.846 11.968 1.00 2.35 O ATOM 1356 CB PRO A 199 8.519 -5.496 11.857 1.00 3.36 C ATOM 1357 CG PRO A 199 9.300 -4.586 10.959 1.00 3.70 C ATOM 1358 CD PRO A 199 8.763 -4.828 9.593 1.00 3.21 C ATOM 0 HA PRO A 199 8.706 -7.617 11.284 1.00 2.78 H new ATOM 0 HB2 PRO A 199 7.619 -5.006 12.229 1.00 3.36 H new ATOM 0 HB3 PRO A 199 9.105 -5.789 12.728 1.00 3.36 H new ATOM 0 HG2 PRO A 199 9.176 -3.543 11.251 1.00 3.70 H new ATOM 0 HG3 PRO A 199 10.366 -4.806 11.007 1.00 3.70 H new ATOM 0 HD2 PRO A 199 7.857 -4.254 9.401 1.00 3.21 H new ATOM 0 HD3 PRO A 199 9.480 -4.560 8.817 1.00 3.21 H new ATOM 1366 N SER A 200 5.917 -6.491 10.202 1.00 1.98 N ATOM 1367 CA SER A 200 4.530 -6.813 9.986 1.00 1.64 C ATOM 1368 C SER A 200 4.244 -6.410 8.553 1.00 1.46 C ATOM 1369 O SER A 200 5.082 -5.757 7.938 1.00 1.48 O ATOM 1370 CB SER A 200 3.608 -6.068 10.956 1.00 1.61 C ATOM 1371 OG SER A 200 3.912 -6.375 12.307 1.00 2.22 O ATOM 0 H SER A 200 6.256 -5.753 9.584 1.00 1.98 H new ATOM 0 HA SER A 200 4.343 -7.872 10.162 1.00 1.64 H new ATOM 0 HB2 SER A 200 3.703 -4.994 10.796 1.00 1.61 H new ATOM 0 HB3 SER A 200 2.571 -6.331 10.747 1.00 1.61 H new ATOM 0 HG SER A 200 4.651 -7.018 12.338 1.00 2.22 H new ATOM 1377 N LEU A 201 3.098 -6.785 8.022 1.00 1.48 N ATOM 1378 CA LEU A 201 2.832 -6.585 6.592 1.00 1.53 C ATOM 1379 C LEU A 201 2.932 -5.117 6.250 1.00 1.27 C ATOM 1380 O LEU A 201 3.605 -4.724 5.301 1.00 1.34 O ATOM 1381 CB LEU A 201 1.429 -7.055 6.183 1.00 1.86 C ATOM 1382 CG LEU A 201 0.871 -8.290 6.903 1.00 2.53 C ATOM 1383 CD1 LEU A 201 1.961 -9.320 7.105 1.00 3.12 C ATOM 1384 CD2 LEU A 201 0.236 -7.902 8.229 1.00 3.06 C ATOM 0 H LEU A 201 2.339 -7.225 8.542 1.00 1.48 H new ATOM 0 HA LEU A 201 3.575 -7.175 6.056 1.00 1.53 H new ATOM 0 HB2 LEU A 201 0.736 -6.229 6.341 1.00 1.86 H new ATOM 0 HB3 LEU A 201 1.440 -7.263 5.113 1.00 1.86 H new ATOM 0 HG LEU A 201 0.095 -8.732 6.278 1.00 2.53 H new ATOM 0 HD11 LEU A 201 1.549 -10.190 7.617 1.00 3.12 H new ATOM 0 HD12 LEU A 201 2.359 -9.623 6.137 1.00 3.12 H new ATOM 0 HD13 LEU A 201 2.761 -8.890 7.707 1.00 3.12 H new ATOM 0 HD21 LEU A 201 -0.152 -8.794 8.721 1.00 3.06 H new ATOM 0 HD22 LEU A 201 0.984 -7.432 8.867 1.00 3.06 H new ATOM 0 HD23 LEU A 201 -0.580 -7.202 8.051 1.00 3.06 H new ATOM 1396 N LEU A 202 2.269 -4.313 7.055 1.00 1.16 N ATOM 1397 CA LEU A 202 2.313 -2.894 6.913 1.00 1.12 C ATOM 1398 C LEU A 202 2.541 -2.278 8.267 1.00 1.18 C ATOM 1399 O LEU A 202 1.723 -2.457 9.173 1.00 1.36 O ATOM 1400 CB LEU A 202 0.983 -2.395 6.359 1.00 1.37 C ATOM 1401 CG LEU A 202 0.771 -2.539 4.854 1.00 2.56 C ATOM 1402 CD1 LEU A 202 1.968 -1.993 4.118 1.00 3.06 C ATOM 1403 CD2 LEU A 202 0.487 -3.979 4.452 1.00 3.24 C ATOM 0 H LEU A 202 1.685 -4.638 7.826 1.00 1.16 H new ATOM 0 HA LEU A 202 3.118 -2.618 6.232 1.00 1.12 H new ATOM 0 HB2 LEU A 202 0.180 -2.928 6.868 1.00 1.37 H new ATOM 0 HB3 LEU A 202 0.880 -1.341 6.618 1.00 1.37 H new ATOM 0 HG LEU A 202 -0.111 -1.960 4.578 1.00 2.56 H new ATOM 0 HD11 LEU A 202 1.813 -2.097 3.044 1.00 3.06 H new ATOM 0 HD12 LEU A 202 2.098 -0.939 4.365 1.00 3.06 H new ATOM 0 HD13 LEU A 202 2.860 -2.547 4.412 1.00 3.06 H new ATOM 0 HD21 LEU A 202 0.343 -4.034 3.373 1.00 3.24 H new ATOM 0 HD22 LEU A 202 1.329 -4.609 4.738 1.00 3.24 H new ATOM 0 HD23 LEU A 202 -0.414 -4.327 4.957 1.00 3.24 H new ATOM 1415 N VAL A 203 3.604 -1.508 8.376 1.00 1.19 N ATOM 1416 CA VAL A 203 3.938 -0.787 9.587 1.00 1.44 C ATOM 1417 C VAL A 203 4.980 0.243 9.243 1.00 1.43 C ATOM 1418 O VAL A 203 4.745 1.451 9.248 1.00 2.00 O ATOM 1419 CB VAL A 203 4.564 -1.651 10.716 1.00 1.69 C ATOM 1420 CG1 VAL A 203 4.888 -0.767 11.904 1.00 2.05 C ATOM 1421 CG2 VAL A 203 3.668 -2.789 11.167 1.00 2.01 C ATOM 0 H VAL A 203 4.269 -1.363 7.616 1.00 1.19 H new ATOM 0 HA VAL A 203 2.995 -0.384 9.956 1.00 1.44 H new ATOM 0 HB VAL A 203 5.468 -2.102 10.306 1.00 1.69 H new ATOM 0 HG11 VAL A 203 5.327 -1.371 12.698 1.00 2.05 H new ATOM 0 HG12 VAL A 203 5.596 0.005 11.601 1.00 2.05 H new ATOM 0 HG13 VAL A 203 3.974 -0.298 12.269 1.00 2.05 H new ATOM 0 HG21 VAL A 203 4.165 -3.352 11.957 1.00 2.01 H new ATOM 0 HG22 VAL A 203 2.729 -2.385 11.545 1.00 2.01 H new ATOM 0 HG23 VAL A 203 3.465 -3.449 10.323 1.00 2.01 H new ATOM 1431 N GLU A 204 6.134 -0.296 8.910 1.00 1.46 N ATOM 1432 CA GLU A 204 7.340 0.468 8.718 1.00 1.75 C ATOM 1433 C GLU A 204 8.435 -0.446 8.182 1.00 2.25 C ATOM 1434 O GLU A 204 8.681 -0.432 6.962 1.00 2.80 O ATOM 1435 CB GLU A 204 7.762 1.073 10.057 1.00 2.00 C ATOM 1436 CG GLU A 204 9.103 1.784 10.034 1.00 2.67 C ATOM 1437 CD GLU A 204 9.638 2.052 11.421 1.00 3.03 C ATOM 1438 OE1 GLU A 204 10.458 1.250 11.910 1.00 3.44 O ATOM 1439 OE2 GLU A 204 9.242 3.071 12.030 1.00 3.27 O ATOM 1440 OXT GLU A 204 9.018 -1.201 8.991 1.00 2.67 O ATOM 0 H GLU A 204 6.258 -1.298 8.763 1.00 1.46 H new ATOM 0 HA GLU A 204 7.168 1.270 8.000 1.00 1.75 H new ATOM 0 HB2 GLU A 204 6.997 1.779 10.379 1.00 2.00 H new ATOM 0 HB3 GLU A 204 7.799 0.280 10.804 1.00 2.00 H new ATOM 0 HG2 GLU A 204 9.822 1.179 9.481 1.00 2.67 H new ATOM 0 HG3 GLU A 204 9.001 2.728 9.498 1.00 2.67 H new TER 1447 GLU A 204