USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 926 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 46 HIS : no HD1:sc= -0.635 K(o=0.31,f=-3.1!) USER MOD Set 1.2: A 48 THR OG1 : rot 84:sc= 0.161 USER MOD Set 1.3: A 83 HIS : no HE2:sc= 0.783 K(o=0.31,f=-3.1!) USER MOD Set 2.1: A 15 ASN : amide:sc= -0.312 K(o=-0.31,f=-2.2!) USER MOD Set 2.2: A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -159:sc= 1.3 USER MOD Single : A 19 TYR OH : rot 30:sc= 0.18 USER MOD Single : A 21 THR OG1 : rot 77:sc= 1.24 USER MOD Single : A 24 ASN : amide:sc= -0.104 K(o=-0.1,f=-6.9!) USER MOD Single : A 37 THR OG1 : rot 101:sc= 0.636 USER MOD Single : A 50 MET CE :methyl -173:sc= 0 (180deg=-0.0487) USER MOD Single : A 56 LYS NZ :NH3+ -166:sc= -0.058 (180deg=-0.956!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -165:sc= -0.166 (180deg=-0.668) USER MOD Single : A 72 LYS NZ :NH3+ -147:sc= 1.29 (180deg=0.57) USER MOD Single : A 78 LYS NZ :NH3+ 171:sc= 0.476 (180deg=0.432) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -175:sc= 1.15 (180deg=1.05) USER MOD Single : A 94 LYS NZ :NH3+ 144:sc= -1.18 (180deg=-3.16!) USER MOD Single : A 109 LYS NZ :NH3+ 179:sc= 0.582 (180deg=0.554) USER MOD Single : A 112 LYS NZ :NH3+ -176:sc= 1.19 (180deg=1.03) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 9.584 1.505 5.910 1.00 1.24 N ATOM 56 CA GLU A 5 8.810 1.333 7.144 1.00 1.08 C ATOM 57 C GLU A 5 7.320 1.161 6.828 1.00 0.98 C ATOM 58 O GLU A 5 6.643 2.094 6.400 1.00 1.44 O ATOM 59 CB GLU A 5 9.151 2.481 8.112 1.00 2.05 C ATOM 60 CG GLU A 5 10.579 2.231 8.631 1.00 2.78 C ATOM 61 CD GLU A 5 11.164 3.366 9.455 1.00 3.61 C ATOM 62 OE1 GLU A 5 11.583 4.385 8.867 1.00 4.03 O ATOM 63 OE2 GLU A 5 11.426 3.166 10.660 1.00 4.58 O ATOM 0 HA GLU A 5 9.084 0.412 7.658 1.00 1.08 H new ATOM 0 HB2 GLU A 5 9.089 3.443 7.604 1.00 2.05 H new ATOM 0 HB3 GLU A 5 8.441 2.511 8.939 1.00 2.05 H new ATOM 0 HG2 GLU A 5 10.577 1.324 9.236 1.00 2.78 H new ATOM 0 HG3 GLU A 5 11.233 2.044 7.779 1.00 2.78 H new ATOM 70 N GLY A 6 6.834 -0.075 6.955 1.00 1.02 N ATOM 71 CA GLY A 6 5.462 -0.489 6.642 1.00 0.97 C ATOM 72 C GLY A 6 5.038 -1.776 7.339 1.00 0.87 C ATOM 73 O GLY A 6 5.827 -2.375 8.065 1.00 1.18 O ATOM 0 H GLY A 6 7.408 -0.848 7.292 1.00 1.02 H new ATOM 0 HA2 GLY A 6 4.777 0.310 6.925 1.00 0.97 H new ATOM 0 HA3 GLY A 6 5.369 -0.622 5.564 1.00 0.97 H new ATOM 77 N TRP A 7 3.814 -2.225 7.055 1.00 0.79 N ATOM 78 CA TRP A 7 3.275 -3.521 7.446 1.00 0.75 C ATOM 79 C TRP A 7 2.191 -3.979 6.451 1.00 0.72 C ATOM 80 O TRP A 7 1.401 -3.163 5.974 1.00 0.66 O ATOM 81 CB TRP A 7 2.709 -3.443 8.869 1.00 0.98 C ATOM 82 CG TRP A 7 1.520 -2.545 9.069 1.00 1.10 C ATOM 83 CD1 TRP A 7 0.238 -2.955 9.214 1.00 1.31 C ATOM 84 CD2 TRP A 7 1.475 -1.083 9.145 1.00 1.42 C ATOM 85 NE1 TRP A 7 -0.591 -1.860 9.368 1.00 1.62 N ATOM 86 CE2 TRP A 7 0.115 -0.680 9.308 1.00 1.73 C ATOM 87 CE3 TRP A 7 2.446 -0.057 9.103 1.00 1.72 C ATOM 88 CZ2 TRP A 7 -0.263 0.666 9.397 1.00 2.21 C ATOM 89 CZ3 TRP A 7 2.076 1.299 9.189 1.00 2.23 C ATOM 90 CH2 TRP A 7 0.728 1.661 9.345 1.00 2.44 C ATOM 0 H TRP A 7 3.145 -1.668 6.523 1.00 0.79 H new ATOM 0 HA TRP A 7 4.079 -4.257 7.430 1.00 0.75 H new ATOM 0 HB2 TRP A 7 2.433 -4.450 9.182 1.00 0.98 H new ATOM 0 HB3 TRP A 7 3.505 -3.109 9.535 1.00 0.98 H new ATOM 0 HD1 TRP A 7 -0.088 -3.985 9.210 1.00 1.31 H new ATOM 0 HE1 TRP A 7 -1.600 -1.919 9.509 1.00 1.62 H new ATOM 0 HE3 TRP A 7 3.489 -0.317 9.003 1.00 1.72 H new ATOM 0 HZ2 TRP A 7 -1.303 0.936 9.504 1.00 2.21 H new ATOM 0 HZ3 TRP A 7 2.834 2.066 9.135 1.00 2.23 H new ATOM 0 HH2 TRP A 7 0.453 2.702 9.425 1.00 2.44 H new ATOM 101 N VAL A 8 2.108 -5.274 6.148 1.00 1.06 N ATOM 102 CA VAL A 8 0.951 -5.838 5.420 1.00 1.24 C ATOM 103 C VAL A 8 -0.172 -6.121 6.436 1.00 1.40 C ATOM 104 O VAL A 8 0.099 -6.240 7.632 1.00 1.39 O ATOM 105 CB VAL A 8 1.364 -7.061 4.571 1.00 1.43 C ATOM 106 CG1 VAL A 8 0.212 -7.669 3.758 1.00 1.65 C ATOM 107 CG2 VAL A 8 2.499 -6.688 3.600 1.00 1.39 C ATOM 0 H VAL A 8 2.823 -5.959 6.391 1.00 1.06 H new ATOM 0 HA VAL A 8 0.564 -5.122 4.694 1.00 1.24 H new ATOM 0 HB VAL A 8 1.694 -7.811 5.289 1.00 1.43 H new ATOM 0 HG11 VAL A 8 0.580 -8.523 3.188 1.00 1.65 H new ATOM 0 HG12 VAL A 8 -0.577 -7.997 4.434 1.00 1.65 H new ATOM 0 HG13 VAL A 8 -0.185 -6.920 3.073 1.00 1.65 H new ATOM 0 HG21 VAL A 8 2.776 -7.562 3.011 1.00 1.39 H new ATOM 0 HG22 VAL A 8 2.162 -5.894 2.934 1.00 1.39 H new ATOM 0 HG23 VAL A 8 3.364 -6.343 4.167 1.00 1.39 H new ATOM 117 N ARG A 9 -1.437 -6.177 6.000 1.00 1.74 N ATOM 118 CA ARG A 9 -2.584 -6.376 6.895 1.00 1.96 C ATOM 119 C ARG A 9 -2.879 -7.860 7.172 1.00 2.20 C ATOM 120 O ARG A 9 -2.736 -8.738 6.324 1.00 3.86 O ATOM 121 CB ARG A 9 -3.831 -5.605 6.411 1.00 2.05 C ATOM 122 CG ARG A 9 -4.738 -5.212 7.594 1.00 1.94 C ATOM 123 CD ARG A 9 -5.996 -4.409 7.223 1.00 2.63 C ATOM 124 NE ARG A 9 -6.671 -3.953 8.457 1.00 2.75 N ATOM 125 CZ ARG A 9 -6.234 -2.960 9.225 1.00 3.18 C ATOM 126 NH1 ARG A 9 -5.410 -2.046 8.768 1.00 4.19 N ATOM 127 NH2 ARG A 9 -6.577 -2.897 10.494 1.00 3.82 N ATOM 0 H ARG A 9 -1.694 -6.086 5.017 1.00 1.74 H new ATOM 0 HA ARG A 9 -2.301 -5.949 7.857 1.00 1.96 H new ATOM 0 HB2 ARG A 9 -3.522 -4.709 5.873 1.00 2.05 H new ATOM 0 HB3 ARG A 9 -4.392 -6.221 5.708 1.00 2.05 H new ATOM 0 HG2 ARG A 9 -5.047 -6.121 8.110 1.00 1.94 H new ATOM 0 HG3 ARG A 9 -4.150 -4.627 8.302 1.00 1.94 H new ATOM 0 HD2 ARG A 9 -5.725 -3.552 6.606 1.00 2.63 H new ATOM 0 HD3 ARG A 9 -6.673 -5.026 6.632 1.00 2.63 H new ATOM 0 HE ARG A 9 -7.527 -4.431 8.737 1.00 2.75 H new ATOM 0 HH11 ARG A 9 -5.089 -2.087 7.801 1.00 4.19 H new ATOM 0 HH12 ARG A 9 -5.091 -1.295 9.380 1.00 4.19 H new ATOM 0 HH21 ARG A 9 -7.182 -3.613 10.895 1.00 3.82 H new ATOM 0 HH22 ARG A 9 -6.237 -2.132 11.077 1.00 3.82 H new ATOM 141 N PHE A 10 -3.412 -8.066 8.372 1.00 1.02 N ATOM 142 CA PHE A 10 -3.996 -9.285 8.927 1.00 0.92 C ATOM 143 C PHE A 10 -5.351 -9.563 8.262 1.00 0.83 C ATOM 144 O PHE A 10 -6.185 -8.659 8.184 1.00 0.89 O ATOM 145 CB PHE A 10 -4.164 -9.053 10.441 1.00 0.96 C ATOM 146 CG PHE A 10 -5.141 -9.989 11.125 1.00 1.08 C ATOM 147 CD1 PHE A 10 -4.812 -11.343 11.281 1.00 1.69 C ATOM 148 CD2 PHE A 10 -6.396 -9.527 11.565 1.00 2.18 C ATOM 149 CE1 PHE A 10 -5.730 -12.243 11.842 1.00 1.72 C ATOM 150 CE2 PHE A 10 -7.313 -10.421 12.144 1.00 2.63 C ATOM 151 CZ PHE A 10 -6.984 -11.781 12.279 1.00 1.84 C ATOM 0 H PHE A 10 -3.450 -7.305 9.051 1.00 1.02 H new ATOM 0 HA PHE A 10 -3.359 -10.150 8.745 1.00 0.92 H new ATOM 0 HB2 PHE A 10 -3.190 -9.155 10.920 1.00 0.96 H new ATOM 0 HB3 PHE A 10 -4.493 -8.026 10.602 1.00 0.96 H new ATOM 0 HD1 PHE A 10 -3.841 -11.697 10.966 1.00 1.69 H new ATOM 0 HD2 PHE A 10 -6.655 -8.484 11.457 1.00 2.18 H new ATOM 0 HE1 PHE A 10 -5.474 -13.288 11.938 1.00 1.72 H new ATOM 0 HE2 PHE A 10 -8.273 -10.062 12.486 1.00 2.63 H new ATOM 0 HZ PHE A 10 -7.692 -12.469 12.717 1.00 1.84 H new ATOM 161 N SER A 11 -5.577 -10.803 7.827 1.00 0.85 N ATOM 162 CA SER A 11 -6.827 -11.311 7.231 1.00 0.87 C ATOM 163 C SER A 11 -6.691 -12.789 6.827 1.00 0.93 C ATOM 164 O SER A 11 -5.652 -13.157 6.276 1.00 1.09 O ATOM 165 CB SER A 11 -7.229 -10.519 5.978 1.00 1.06 C ATOM 166 OG SER A 11 -8.469 -10.976 5.463 1.00 2.25 O ATOM 0 H SER A 11 -4.858 -11.524 7.881 1.00 0.85 H new ATOM 0 HA SER A 11 -7.593 -11.196 7.998 1.00 0.87 H new ATOM 0 HB2 SER A 11 -7.301 -9.459 6.221 1.00 1.06 H new ATOM 0 HB3 SER A 11 -6.456 -10.620 5.216 1.00 1.06 H new ATOM 0 HG SER A 11 -8.545 -10.722 4.520 1.00 2.25 H new ATOM 172 N PRO A 12 -7.724 -13.640 7.009 1.00 1.02 N ATOM 173 CA PRO A 12 -7.736 -14.995 6.454 1.00 1.17 C ATOM 174 C PRO A 12 -7.945 -15.010 4.933 1.00 1.04 C ATOM 175 O PRO A 12 -7.477 -15.921 4.255 1.00 1.19 O ATOM 176 CB PRO A 12 -8.896 -15.689 7.166 1.00 1.41 C ATOM 177 CG PRO A 12 -9.884 -14.559 7.448 1.00 1.32 C ATOM 178 CD PRO A 12 -8.965 -13.370 7.726 1.00 1.14 C ATOM 0 HA PRO A 12 -6.779 -15.493 6.611 1.00 1.17 H new ATOM 0 HB2 PRO A 12 -9.342 -16.463 6.542 1.00 1.41 H new ATOM 0 HB3 PRO A 12 -8.568 -16.172 8.087 1.00 1.41 H new ATOM 0 HG2 PRO A 12 -10.540 -14.373 6.598 1.00 1.32 H new ATOM 0 HG3 PRO A 12 -10.524 -14.784 8.301 1.00 1.32 H new ATOM 0 HD2 PRO A 12 -9.418 -12.439 7.384 1.00 1.14 H new ATOM 0 HD3 PRO A 12 -8.781 -13.261 8.795 1.00 1.14 H new ATOM 186 N GLY A 13 -8.650 -13.998 4.413 1.00 0.88 N ATOM 187 CA GLY A 13 -9.099 -13.874 3.022 1.00 0.88 C ATOM 188 C GLY A 13 -10.568 -13.442 2.919 1.00 0.89 C ATOM 189 O GLY A 13 -11.261 -13.390 3.939 1.00 0.95 O ATOM 0 H GLY A 13 -8.938 -13.202 4.982 1.00 0.88 H new ATOM 0 HA2 GLY A 13 -8.472 -13.148 2.504 1.00 0.88 H new ATOM 0 HA3 GLY A 13 -8.967 -14.829 2.514 1.00 0.88 H new ATOM 193 N PRO A 14 -11.075 -13.111 1.714 1.00 0.95 N ATOM 194 CA PRO A 14 -10.393 -13.158 0.419 1.00 1.02 C ATOM 195 C PRO A 14 -9.528 -11.920 0.124 1.00 0.98 C ATOM 196 O PRO A 14 -8.910 -11.865 -0.941 1.00 1.12 O ATOM 197 CB PRO A 14 -11.533 -13.277 -0.600 1.00 1.15 C ATOM 198 CG PRO A 14 -12.643 -12.444 0.037 1.00 1.11 C ATOM 199 CD PRO A 14 -12.475 -12.746 1.526 1.00 1.01 C ATOM 0 HA PRO A 14 -9.686 -13.987 0.388 1.00 1.02 H new ATOM 0 HB2 PRO A 14 -11.245 -12.888 -1.577 1.00 1.15 H new ATOM 0 HB3 PRO A 14 -11.838 -14.313 -0.747 1.00 1.15 H new ATOM 0 HG2 PRO A 14 -12.526 -11.382 -0.177 1.00 1.11 H new ATOM 0 HG3 PRO A 14 -13.628 -12.736 -0.327 1.00 1.11 H new ATOM 0 HD2 PRO A 14 -12.735 -11.877 2.131 1.00 1.01 H new ATOM 0 HD3 PRO A 14 -13.133 -13.558 1.835 1.00 1.01 H new ATOM 207 N ASN A 15 -9.467 -10.932 1.032 1.00 0.84 N ATOM 208 CA ASN A 15 -8.575 -9.777 0.885 1.00 0.71 C ATOM 209 C ASN A 15 -7.958 -9.267 2.200 1.00 0.59 C ATOM 210 O ASN A 15 -8.476 -9.479 3.298 1.00 0.78 O ATOM 211 CB ASN A 15 -9.250 -8.649 0.082 1.00 0.87 C ATOM 212 CG ASN A 15 -10.215 -7.749 0.851 1.00 1.41 C ATOM 213 OD1 ASN A 15 -9.884 -7.136 1.856 1.00 2.50 O ATOM 214 ND2 ASN A 15 -11.433 -7.598 0.374 1.00 1.58 N ATOM 0 H ASN A 15 -10.031 -10.914 1.881 1.00 0.84 H new ATOM 0 HA ASN A 15 -7.722 -10.142 0.313 1.00 0.71 H new ATOM 0 HB2 ASN A 15 -8.469 -8.022 -0.349 1.00 0.87 H new ATOM 0 HB3 ASN A 15 -9.792 -9.099 -0.749 1.00 0.87 H new ATOM 0 HD21 ASN A 15 -12.090 -6.974 0.842 1.00 1.58 H new ATOM 0 HD22 ASN A 15 -11.719 -8.105 -0.464 1.00 1.58 H new ATOM 221 N ALA A 16 -6.837 -8.577 2.027 1.00 0.41 N ATOM 222 CA ALA A 16 -5.978 -7.843 2.974 1.00 0.37 C ATOM 223 C ALA A 16 -5.709 -6.426 2.409 1.00 0.35 C ATOM 224 O ALA A 16 -6.232 -6.043 1.363 1.00 0.36 O ATOM 225 CB ALA A 16 -4.679 -8.650 3.153 1.00 0.39 C ATOM 0 H ALA A 16 -6.448 -8.505 1.087 1.00 0.41 H new ATOM 0 HA ALA A 16 -6.453 -7.726 3.948 1.00 0.37 H new ATOM 0 HB1 ALA A 16 -4.021 -8.131 3.850 1.00 0.39 H new ATOM 0 HB2 ALA A 16 -4.916 -9.639 3.546 1.00 0.39 H new ATOM 0 HB3 ALA A 16 -4.179 -8.753 2.190 1.00 0.39 H new ATOM 231 N ALA A 17 -4.869 -5.647 3.087 1.00 0.40 N ATOM 232 CA ALA A 17 -4.356 -4.332 2.671 1.00 0.41 C ATOM 233 C ALA A 17 -2.827 -4.326 2.867 1.00 0.61 C ATOM 234 O ALA A 17 -2.307 -5.240 3.506 1.00 1.14 O ATOM 235 CB ALA A 17 -5.047 -3.246 3.496 1.00 0.63 C ATOM 0 H ALA A 17 -4.503 -5.928 3.997 1.00 0.40 H new ATOM 0 HA ALA A 17 -4.568 -4.133 1.620 1.00 0.41 H new ATOM 0 HB1 ALA A 17 -4.673 -2.267 3.195 1.00 0.63 H new ATOM 0 HB2 ALA A 17 -6.123 -3.291 3.328 1.00 0.63 H new ATOM 0 HB3 ALA A 17 -4.838 -3.404 4.554 1.00 0.63 H new ATOM 241 N ALA A 18 -2.113 -3.305 2.390 1.00 0.48 N ATOM 242 CA ALA A 18 -0.696 -3.098 2.695 1.00 0.54 C ATOM 243 C ALA A 18 -0.320 -1.611 2.769 1.00 0.49 C ATOM 244 O ALA A 18 -0.711 -0.792 1.930 1.00 0.54 O ATOM 245 CB ALA A 18 0.193 -3.857 1.700 1.00 0.64 C ATOM 0 H ALA A 18 -2.506 -2.592 1.775 1.00 0.48 H new ATOM 0 HA ALA A 18 -0.519 -3.507 3.690 1.00 0.54 H new ATOM 0 HB1 ALA A 18 1.241 -3.688 1.946 1.00 0.64 H new ATOM 0 HB2 ALA A 18 -0.026 -4.923 1.756 1.00 0.64 H new ATOM 0 HB3 ALA A 18 -0.004 -3.499 0.689 1.00 0.64 H new ATOM 251 N TYR A 19 0.460 -1.294 3.797 1.00 0.51 N ATOM 252 CA TYR A 19 0.898 0.040 4.206 1.00 0.57 C ATOM 253 C TYR A 19 2.433 0.071 4.245 1.00 0.67 C ATOM 254 O TYR A 19 3.046 -0.915 4.662 1.00 1.45 O ATOM 255 CB TYR A 19 0.307 0.315 5.601 1.00 0.64 C ATOM 256 CG TYR A 19 -1.173 -0.012 5.724 1.00 0.77 C ATOM 257 CD1 TYR A 19 -2.141 0.858 5.190 1.00 1.64 C ATOM 258 CD2 TYR A 19 -1.579 -1.223 6.313 1.00 2.12 C ATOM 259 CE1 TYR A 19 -3.508 0.518 5.249 1.00 1.75 C ATOM 260 CE2 TYR A 19 -2.941 -1.558 6.405 1.00 2.31 C ATOM 261 CZ TYR A 19 -3.913 -0.684 5.868 1.00 1.32 C ATOM 262 OH TYR A 19 -5.237 -0.998 5.940 1.00 1.64 O ATOM 0 H TYR A 19 0.832 -2.016 4.414 1.00 0.51 H new ATOM 0 HA TYR A 19 0.559 0.805 3.507 1.00 0.57 H new ATOM 0 HB2 TYR A 19 0.859 -0.267 6.339 1.00 0.64 H new ATOM 0 HB3 TYR A 19 0.457 1.366 5.847 1.00 0.64 H new ATOM 0 HD1 TYR A 19 -1.836 1.788 4.734 1.00 1.64 H new ATOM 0 HD2 TYR A 19 -0.835 -1.904 6.699 1.00 2.12 H new ATOM 0 HE1 TYR A 19 -4.247 1.179 4.820 1.00 1.75 H new ATOM 0 HE2 TYR A 19 -3.243 -2.478 6.883 1.00 2.31 H new ATOM 0 HH TYR A 19 -5.707 -0.611 5.172 1.00 1.64 H new ATOM 272 N LEU A 20 3.068 1.173 3.816 1.00 1.28 N ATOM 273 CA LEU A 20 4.528 1.279 3.625 1.00 1.32 C ATOM 274 C LEU A 20 5.031 2.682 3.264 1.00 1.16 C ATOM 275 O LEU A 20 4.405 3.400 2.493 1.00 0.96 O ATOM 276 CB LEU A 20 5.073 0.230 2.621 1.00 1.40 C ATOM 277 CG LEU A 20 4.566 0.299 1.160 1.00 1.17 C ATOM 278 CD1 LEU A 20 5.480 -0.529 0.248 1.00 1.73 C ATOM 279 CD2 LEU A 20 3.133 -0.233 0.972 1.00 1.98 C ATOM 0 H LEU A 20 2.573 2.035 3.587 1.00 1.28 H new ATOM 0 HA LEU A 20 4.934 1.060 4.613 1.00 1.32 H new ATOM 0 HB2 LEU A 20 6.159 0.316 2.603 1.00 1.40 H new ATOM 0 HB3 LEU A 20 4.838 -0.760 3.011 1.00 1.40 H new ATOM 0 HG LEU A 20 4.574 1.358 0.901 1.00 1.17 H new ATOM 0 HD11 LEU A 20 5.116 -0.475 -0.778 1.00 1.73 H new ATOM 0 HD12 LEU A 20 6.495 -0.134 0.294 1.00 1.73 H new ATOM 0 HD13 LEU A 20 5.480 -1.568 0.579 1.00 1.73 H new ATOM 0 HD21 LEU A 20 2.849 -0.152 -0.077 1.00 1.98 H new ATOM 0 HD22 LEU A 20 3.089 -1.278 1.280 1.00 1.98 H new ATOM 0 HD23 LEU A 20 2.444 0.353 1.580 1.00 1.98 H new ATOM 291 N THR A 21 6.202 3.051 3.785 1.00 1.43 N ATOM 292 CA THR A 21 6.859 4.339 3.530 1.00 1.42 C ATOM 293 C THR A 21 7.573 4.331 2.179 1.00 1.49 C ATOM 294 O THR A 21 8.459 3.510 1.944 1.00 1.79 O ATOM 295 CB THR A 21 7.785 4.690 4.694 1.00 1.54 C ATOM 296 OG1 THR A 21 7.000 4.764 5.863 1.00 1.79 O ATOM 297 CG2 THR A 21 8.478 6.042 4.513 1.00 1.93 C ATOM 0 H THR A 21 6.735 2.449 4.412 1.00 1.43 H new ATOM 0 HA THR A 21 6.106 5.125 3.468 1.00 1.42 H new ATOM 0 HB THR A 21 8.557 3.922 4.749 1.00 1.54 H new ATOM 0 HG1 THR A 21 6.790 3.859 6.174 1.00 1.79 H new ATOM 0 HG21 THR A 21 9.123 6.238 5.370 1.00 1.93 H new ATOM 0 HG22 THR A 21 9.079 6.024 3.604 1.00 1.93 H new ATOM 0 HG23 THR A 21 7.727 6.828 4.436 1.00 1.93 H new ATOM 305 N LEU A 22 7.181 5.253 1.291 1.00 1.46 N ATOM 306 CA LEU A 22 7.784 5.506 -0.025 1.00 1.72 C ATOM 307 C LEU A 22 8.760 6.684 0.081 1.00 1.49 C ATOM 308 O LEU A 22 8.423 7.723 0.655 1.00 1.45 O ATOM 309 CB LEU A 22 6.660 5.823 -1.042 1.00 2.24 C ATOM 310 CG LEU A 22 6.887 5.435 -2.513 1.00 2.75 C ATOM 311 CD1 LEU A 22 8.184 5.976 -3.129 1.00 3.24 C ATOM 312 CD2 LEU A 22 6.819 3.917 -2.672 1.00 3.00 C ATOM 0 H LEU A 22 6.395 5.875 1.480 1.00 1.46 H new ATOM 0 HA LEU A 22 8.333 4.627 -0.363 1.00 1.72 H new ATOM 0 HB2 LEU A 22 5.752 5.326 -0.702 1.00 2.24 H new ATOM 0 HB3 LEU A 22 6.469 6.895 -1.005 1.00 2.24 H new ATOM 0 HG LEU A 22 6.081 5.914 -3.069 1.00 2.75 H new ATOM 0 HD11 LEU A 22 8.257 5.651 -4.167 1.00 3.24 H new ATOM 0 HD12 LEU A 22 8.179 7.065 -3.089 1.00 3.24 H new ATOM 0 HD13 LEU A 22 9.039 5.596 -2.569 1.00 3.24 H new ATOM 0 HD21 LEU A 22 6.981 3.653 -3.717 1.00 3.00 H new ATOM 0 HD22 LEU A 22 7.589 3.452 -2.057 1.00 3.00 H new ATOM 0 HD23 LEU A 22 5.838 3.562 -2.356 1.00 3.00 H new ATOM 324 N GLU A 23 9.939 6.537 -0.517 1.00 1.44 N ATOM 325 CA GLU A 23 11.081 7.441 -0.401 1.00 1.20 C ATOM 326 C GLU A 23 11.734 7.603 -1.775 1.00 1.13 C ATOM 327 O GLU A 23 11.757 6.655 -2.569 1.00 1.31 O ATOM 328 CB GLU A 23 12.060 6.812 0.608 1.00 1.38 C ATOM 329 CG GLU A 23 13.341 7.605 0.897 1.00 2.55 C ATOM 330 CD GLU A 23 13.034 8.991 1.447 1.00 3.89 C ATOM 331 OE1 GLU A 23 12.654 9.065 2.641 1.00 4.54 O ATOM 332 OE2 GLU A 23 13.152 9.949 0.647 1.00 5.15 O ATOM 0 H GLU A 23 10.134 5.743 -1.127 1.00 1.44 H new ATOM 0 HA GLU A 23 10.780 8.430 -0.055 1.00 1.20 H new ATOM 0 HB2 GLU A 23 11.531 6.661 1.549 1.00 1.38 H new ATOM 0 HB3 GLU A 23 12.344 5.826 0.240 1.00 1.38 H new ATOM 0 HG2 GLU A 23 13.954 7.057 1.613 1.00 2.55 H new ATOM 0 HG3 GLU A 23 13.926 7.698 -0.018 1.00 2.55 H new ATOM 339 N ASN A 24 12.280 8.787 -2.048 1.00 1.06 N ATOM 340 CA ASN A 24 12.984 9.081 -3.289 1.00 1.05 C ATOM 341 C ASN A 24 14.330 9.768 -2.980 1.00 1.25 C ATOM 342 O ASN A 24 14.377 10.986 -2.773 1.00 1.31 O ATOM 343 CB ASN A 24 12.098 9.947 -4.198 1.00 0.86 C ATOM 344 CG ASN A 24 12.624 9.948 -5.627 1.00 0.81 C ATOM 345 OD1 ASN A 24 13.802 9.731 -5.885 1.00 1.65 O ATOM 346 ND2 ASN A 24 11.773 10.209 -6.600 1.00 0.76 N ATOM 0 H ASN A 24 12.244 9.577 -1.404 1.00 1.06 H new ATOM 0 HA ASN A 24 13.199 8.153 -3.819 1.00 1.05 H new ATOM 0 HB2 ASN A 24 11.076 9.570 -4.183 1.00 0.86 H new ATOM 0 HB3 ASN A 24 12.067 10.968 -3.817 1.00 0.86 H new ATOM 0 HD21 ASN A 24 12.095 10.230 -7.567 1.00 0.76 H new ATOM 0 HD22 ASN A 24 10.792 10.390 -6.385 1.00 0.76 H new ATOM 353 N PRO A 25 15.459 9.032 -2.992 1.00 1.45 N ATOM 354 CA PRO A 25 16.783 9.624 -2.789 1.00 1.67 C ATOM 355 C PRO A 25 17.243 10.493 -3.973 1.00 1.77 C ATOM 356 O PRO A 25 18.176 11.280 -3.811 1.00 2.03 O ATOM 357 CB PRO A 25 17.715 8.427 -2.568 1.00 1.88 C ATOM 358 CG PRO A 25 17.054 7.315 -3.381 1.00 1.82 C ATOM 359 CD PRO A 25 15.565 7.593 -3.199 1.00 1.55 C ATOM 0 HA PRO A 25 16.780 10.311 -1.943 1.00 1.67 H new ATOM 0 HB2 PRO A 25 18.726 8.634 -2.917 1.00 1.88 H new ATOM 0 HB3 PRO A 25 17.790 8.164 -1.513 1.00 1.88 H new ATOM 0 HG2 PRO A 25 17.346 7.354 -4.430 1.00 1.82 H new ATOM 0 HG3 PRO A 25 17.328 6.327 -3.011 1.00 1.82 H new ATOM 0 HD2 PRO A 25 14.998 7.280 -4.075 1.00 1.55 H new ATOM 0 HD3 PRO A 25 15.165 7.044 -2.347 1.00 1.55 H new ATOM 367 N GLY A 26 16.571 10.379 -5.123 1.00 1.63 N ATOM 368 CA GLY A 26 16.815 11.074 -6.384 1.00 1.68 C ATOM 369 C GLY A 26 17.588 10.225 -7.381 1.00 1.55 C ATOM 370 O GLY A 26 18.519 9.500 -7.042 1.00 3.51 O ATOM 0 H GLY A 26 15.776 9.744 -5.198 1.00 1.63 H new ATOM 0 HA2 GLY A 26 15.861 11.366 -6.824 1.00 1.68 H new ATOM 0 HA3 GLY A 26 17.370 11.992 -6.187 1.00 1.68 H new ATOM 374 N ASP A 27 17.157 10.366 -8.629 1.00 1.65 N ATOM 375 CA ASP A 27 17.321 9.451 -9.760 1.00 4.00 C ATOM 376 C ASP A 27 16.485 10.094 -10.878 1.00 3.83 C ATOM 377 O ASP A 27 17.013 10.509 -11.907 1.00 4.90 O ATOM 378 CB ASP A 27 16.822 8.044 -9.332 1.00 5.69 C ATOM 379 CG ASP A 27 16.909 6.927 -10.379 1.00 7.37 C ATOM 380 OD1 ASP A 27 16.651 7.164 -11.580 1.00 8.24 O ATOM 381 OD2 ASP A 27 17.077 5.750 -9.982 1.00 8.39 O ATOM 0 H ASP A 27 16.636 11.199 -8.903 1.00 1.65 H new ATOM 0 HA ASP A 27 18.348 9.307 -10.097 1.00 4.00 H new ATOM 0 HB2 ASP A 27 17.393 7.734 -8.457 1.00 5.69 H new ATOM 0 HB3 ASP A 27 15.782 8.134 -9.018 1.00 5.69 H new ATOM 386 N LEU A 28 15.196 10.316 -10.552 1.00 2.44 N ATOM 387 CA LEU A 28 14.063 10.840 -11.297 1.00 2.01 C ATOM 388 C LEU A 28 12.779 10.834 -10.426 1.00 1.44 C ATOM 389 O LEU A 28 12.840 10.312 -9.308 1.00 1.22 O ATOM 390 CB LEU A 28 13.973 10.040 -12.585 1.00 2.16 C ATOM 391 CG LEU A 28 13.707 8.525 -12.551 1.00 3.44 C ATOM 392 CD1 LEU A 28 12.276 8.138 -12.169 1.00 4.01 C ATOM 393 CD2 LEU A 28 14.012 7.961 -13.951 1.00 4.37 C ATOM 0 H LEU A 28 14.894 10.090 -9.604 1.00 2.44 H new ATOM 0 HA LEU A 28 14.190 11.889 -11.563 1.00 2.01 H new ATOM 0 HB2 LEU A 28 13.185 10.491 -13.188 1.00 2.16 H new ATOM 0 HB3 LEU A 28 14.910 10.189 -13.122 1.00 2.16 H new ATOM 0 HG LEU A 28 14.349 8.109 -11.775 1.00 3.44 H new ATOM 0 HD11 LEU A 28 12.180 7.052 -12.171 1.00 4.01 H new ATOM 0 HD12 LEU A 28 12.049 8.521 -11.174 1.00 4.01 H new ATOM 0 HD13 LEU A 28 11.579 8.565 -12.890 1.00 4.01 H new ATOM 0 HD21 LEU A 28 13.832 6.886 -13.957 1.00 4.37 H new ATOM 0 HD22 LEU A 28 13.366 8.441 -14.686 1.00 4.37 H new ATOM 0 HD23 LEU A 28 15.055 8.156 -14.203 1.00 4.37 H new ATOM 405 N PRO A 29 11.626 11.394 -10.859 1.00 1.29 N ATOM 406 CA PRO A 29 10.388 11.338 -10.081 1.00 1.03 C ATOM 407 C PRO A 29 9.686 9.989 -10.253 1.00 0.96 C ATOM 408 O PRO A 29 9.550 9.472 -11.362 1.00 1.19 O ATOM 409 CB PRO A 29 9.525 12.498 -10.571 1.00 1.03 C ATOM 410 CG PRO A 29 9.957 12.664 -12.026 1.00 1.20 C ATOM 411 CD PRO A 29 11.415 12.188 -12.063 1.00 1.40 C ATOM 0 HA PRO A 29 10.585 11.430 -9.013 1.00 1.03 H new ATOM 0 HB2 PRO A 29 8.462 12.271 -10.490 1.00 1.03 H new ATOM 0 HB3 PRO A 29 9.703 13.404 -9.992 1.00 1.03 H new ATOM 0 HG2 PRO A 29 9.331 12.072 -12.694 1.00 1.20 H new ATOM 0 HG3 PRO A 29 9.872 13.702 -12.347 1.00 1.20 H new ATOM 0 HD2 PRO A 29 11.606 11.594 -12.957 1.00 1.40 H new ATOM 0 HD3 PRO A 29 12.099 13.036 -12.092 1.00 1.40 H new ATOM 419 N LEU A 30 9.234 9.427 -9.133 1.00 0.80 N ATOM 420 CA LEU A 30 8.618 8.101 -9.057 1.00 0.75 C ATOM 421 C LEU A 30 7.105 8.194 -9.158 1.00 0.72 C ATOM 422 O LEU A 30 6.473 9.068 -8.570 1.00 0.77 O ATOM 423 CB LEU A 30 8.967 7.399 -7.735 1.00 0.78 C ATOM 424 CG LEU A 30 10.456 7.071 -7.611 1.00 0.86 C ATOM 425 CD1 LEU A 30 10.838 6.936 -6.132 1.00 2.22 C ATOM 426 CD2 LEU A 30 10.895 5.803 -8.346 1.00 1.51 C ATOM 0 H LEU A 30 9.287 9.894 -8.228 1.00 0.80 H new ATOM 0 HA LEU A 30 9.011 7.525 -9.895 1.00 0.75 H new ATOM 0 HB2 LEU A 30 8.670 8.036 -6.902 1.00 0.78 H new ATOM 0 HB3 LEU A 30 8.389 6.478 -7.655 1.00 0.78 H new ATOM 0 HG LEU A 30 10.974 7.903 -8.088 1.00 0.86 H new ATOM 0 HD11 LEU A 30 11.900 6.702 -6.050 1.00 2.22 H new ATOM 0 HD12 LEU A 30 10.632 7.874 -5.616 1.00 2.22 H new ATOM 0 HD13 LEU A 30 10.254 6.136 -5.677 1.00 2.22 H new ATOM 0 HD21 LEU A 30 11.965 5.651 -8.202 1.00 1.51 H new ATOM 0 HD22 LEU A 30 10.350 4.946 -7.950 1.00 1.51 H new ATOM 0 HD23 LEU A 30 10.683 5.908 -9.410 1.00 1.51 H new ATOM 438 N ARG A 31 6.574 7.168 -9.803 1.00 0.70 N ATOM 439 CA ARG A 31 5.139 6.991 -10.055 1.00 0.68 C ATOM 440 C ARG A 31 4.699 5.548 -9.815 1.00 0.66 C ATOM 441 O ARG A 31 4.833 4.682 -10.678 1.00 0.82 O ATOM 442 CB ARG A 31 4.797 7.531 -11.446 1.00 0.65 C ATOM 443 CG ARG A 31 3.295 7.451 -11.757 1.00 0.83 C ATOM 444 CD ARG A 31 2.739 8.675 -12.493 1.00 0.64 C ATOM 445 NE ARG A 31 3.460 8.993 -13.741 1.00 1.72 N ATOM 446 CZ ARG A 31 4.370 9.950 -13.903 1.00 1.77 C ATOM 447 NH1 ARG A 31 4.820 10.688 -12.913 1.00 2.51 N ATOM 448 NH2 ARG A 31 4.850 10.194 -15.103 1.00 2.96 N ATOM 0 H ARG A 31 7.140 6.408 -10.180 1.00 0.70 H new ATOM 0 HA ARG A 31 4.562 7.574 -9.337 1.00 0.68 H new ATOM 0 HB2 ARG A 31 5.125 8.568 -11.520 1.00 0.65 H new ATOM 0 HB3 ARG A 31 5.350 6.967 -12.197 1.00 0.65 H new ATOM 0 HG2 ARG A 31 3.107 6.562 -12.360 1.00 0.83 H new ATOM 0 HG3 ARG A 31 2.748 7.324 -10.823 1.00 0.83 H new ATOM 0 HD2 ARG A 31 1.688 8.503 -12.725 1.00 0.64 H new ATOM 0 HD3 ARG A 31 2.782 9.538 -11.829 1.00 0.64 H new ATOM 0 HE ARG A 31 3.239 8.424 -14.558 1.00 1.72 H new ATOM 0 HH11 ARG A 31 4.471 10.539 -11.966 1.00 2.51 H new ATOM 0 HH12 ARG A 31 5.519 11.409 -13.091 1.00 2.51 H new ATOM 0 HH21 ARG A 31 4.524 9.651 -15.903 1.00 2.96 H new ATOM 0 HH22 ARG A 31 5.548 10.926 -15.234 1.00 2.96 H new ATOM 462 N LEU A 32 4.263 5.273 -8.591 1.00 0.54 N ATOM 463 CA LEU A 32 3.975 3.947 -8.060 1.00 0.52 C ATOM 464 C LEU A 32 2.587 3.519 -8.552 1.00 0.58 C ATOM 465 O LEU A 32 1.576 3.955 -8.007 1.00 0.73 O ATOM 466 CB LEU A 32 4.103 4.030 -6.524 1.00 0.48 C ATOM 467 CG LEU A 32 4.415 2.719 -5.763 1.00 0.76 C ATOM 468 CD1 LEU A 32 3.784 2.788 -4.368 1.00 1.68 C ATOM 469 CD2 LEU A 32 4.015 1.422 -6.474 1.00 1.83 C ATOM 0 H LEU A 32 4.092 6.009 -7.906 1.00 0.54 H new ATOM 0 HA LEU A 32 4.672 3.183 -8.406 1.00 0.52 H new ATOM 0 HB2 LEU A 32 4.887 4.750 -6.290 1.00 0.48 H new ATOM 0 HB3 LEU A 32 3.171 4.435 -6.130 1.00 0.48 H new ATOM 0 HG LEU A 32 5.502 2.662 -5.706 1.00 0.76 H new ATOM 0 HD11 LEU A 32 3.999 1.868 -3.825 1.00 1.68 H new ATOM 0 HD12 LEU A 32 4.198 3.636 -3.823 1.00 1.68 H new ATOM 0 HD13 LEU A 32 2.705 2.909 -4.462 1.00 1.68 H new ATOM 0 HD21 LEU A 32 4.280 0.568 -5.850 1.00 1.83 H new ATOM 0 HD22 LEU A 32 2.940 1.421 -6.652 1.00 1.83 H new ATOM 0 HD23 LEU A 32 4.540 1.352 -7.427 1.00 1.83 H new ATOM 481 N VAL A 33 2.567 2.719 -9.619 1.00 0.46 N ATOM 482 CA VAL A 33 1.361 2.360 -10.393 1.00 0.51 C ATOM 483 C VAL A 33 0.739 1.037 -9.919 1.00 0.52 C ATOM 484 O VAL A 33 -0.470 0.845 -10.035 1.00 0.56 O ATOM 485 CB VAL A 33 1.655 2.259 -11.917 1.00 0.59 C ATOM 486 CG1 VAL A 33 1.848 3.643 -12.562 1.00 0.64 C ATOM 487 CG2 VAL A 33 2.886 1.400 -12.271 1.00 0.60 C ATOM 0 H VAL A 33 3.414 2.285 -9.986 1.00 0.46 H new ATOM 0 HA VAL A 33 0.650 3.168 -10.219 1.00 0.51 H new ATOM 0 HB VAL A 33 0.768 1.767 -12.317 1.00 0.59 H new ATOM 0 HG11 VAL A 33 2.051 3.523 -13.626 1.00 0.64 H new ATOM 0 HG12 VAL A 33 0.943 4.236 -12.430 1.00 0.64 H new ATOM 0 HG13 VAL A 33 2.687 4.152 -12.088 1.00 0.64 H new ATOM 0 HG21 VAL A 33 3.019 1.383 -13.353 1.00 0.60 H new ATOM 0 HG22 VAL A 33 3.774 1.826 -11.803 1.00 0.60 H new ATOM 0 HG23 VAL A 33 2.737 0.383 -11.908 1.00 0.60 H new ATOM 497 N GLY A 34 1.556 0.101 -9.414 1.00 0.51 N ATOM 498 CA GLY A 34 1.097 -1.193 -8.900 1.00 0.53 C ATOM 499 C GLY A 34 2.085 -1.864 -7.960 1.00 0.56 C ATOM 500 O GLY A 34 3.156 -1.329 -7.669 1.00 0.60 O ATOM 0 H GLY A 34 2.566 0.225 -9.351 1.00 0.51 H new ATOM 0 HA2 GLY A 34 0.151 -1.051 -8.377 1.00 0.53 H new ATOM 0 HA3 GLY A 34 0.900 -1.858 -9.741 1.00 0.53 H new ATOM 504 N ALA A 35 1.733 -3.072 -7.525 1.00 0.57 N ATOM 505 CA ALA A 35 2.596 -3.947 -6.741 1.00 0.57 C ATOM 506 C ALA A 35 2.451 -5.428 -7.148 1.00 0.60 C ATOM 507 O ALA A 35 1.608 -5.762 -7.980 1.00 0.67 O ATOM 508 CB ALA A 35 2.275 -3.705 -5.257 1.00 0.52 C ATOM 0 H ALA A 35 0.816 -3.478 -7.714 1.00 0.57 H new ATOM 0 HA ALA A 35 3.643 -3.710 -6.932 1.00 0.57 H new ATOM 0 HB1 ALA A 35 2.905 -4.346 -4.639 1.00 0.52 H new ATOM 0 HB2 ALA A 35 2.466 -2.661 -5.009 1.00 0.52 H new ATOM 0 HB3 ALA A 35 1.227 -3.937 -5.069 1.00 0.52 H new ATOM 514 N ARG A 36 3.240 -6.306 -6.523 1.00 0.60 N ATOM 515 CA ARG A 36 3.154 -7.779 -6.540 1.00 0.63 C ATOM 516 C ARG A 36 3.770 -8.312 -5.236 1.00 0.63 C ATOM 517 O ARG A 36 4.546 -7.610 -4.593 1.00 0.79 O ATOM 518 CB ARG A 36 3.898 -8.391 -7.751 1.00 0.78 C ATOM 519 CG ARG A 36 3.197 -8.332 -9.113 1.00 1.23 C ATOM 520 CD ARG A 36 1.846 -9.063 -9.176 1.00 2.73 C ATOM 521 NE ARG A 36 1.972 -10.530 -9.013 1.00 3.02 N ATOM 522 CZ ARG A 36 0.979 -11.406 -9.177 1.00 4.36 C ATOM 523 NH1 ARG A 36 -0.244 -11.026 -9.425 1.00 5.77 N ATOM 524 NH2 ARG A 36 1.144 -12.708 -9.095 1.00 4.98 N ATOM 0 H ARG A 36 4.018 -5.986 -5.946 1.00 0.60 H new ATOM 0 HA ARG A 36 2.106 -8.065 -6.626 1.00 0.63 H new ATOM 0 HB2 ARG A 36 4.860 -7.887 -7.845 1.00 0.78 H new ATOM 0 HB3 ARG A 36 4.107 -9.437 -7.525 1.00 0.78 H new ATOM 0 HG2 ARG A 36 3.041 -7.287 -9.381 1.00 1.23 H new ATOM 0 HG3 ARG A 36 3.860 -8.758 -9.866 1.00 1.23 H new ATOM 0 HD2 ARG A 36 1.191 -8.672 -8.398 1.00 2.73 H new ATOM 0 HD3 ARG A 36 1.368 -8.849 -10.132 1.00 2.73 H new ATOM 0 HE ARG A 36 2.888 -10.899 -8.756 1.00 3.02 H new ATOM 0 HH11 ARG A 36 -0.464 -10.033 -9.499 1.00 5.77 H new ATOM 0 HH12 ARG A 36 -0.980 -11.722 -9.545 1.00 5.77 H new ATOM 0 HH21 ARG A 36 2.067 -13.094 -8.897 1.00 4.98 H new ATOM 0 HH22 ARG A 36 0.349 -13.332 -9.229 1.00 4.98 H new ATOM 538 N THR A 37 3.415 -9.534 -4.811 1.00 0.62 N ATOM 539 CA THR A 37 3.882 -10.132 -3.538 1.00 0.63 C ATOM 540 C THR A 37 3.574 -11.629 -3.464 1.00 0.80 C ATOM 541 O THR A 37 2.590 -12.055 -4.065 1.00 0.97 O ATOM 542 CB THR A 37 3.300 -9.362 -2.345 1.00 0.74 C ATOM 543 OG1 THR A 37 3.613 -9.988 -1.135 1.00 0.92 O ATOM 544 CG2 THR A 37 1.781 -9.191 -2.381 1.00 0.84 C ATOM 0 H THR A 37 2.792 -10.144 -5.340 1.00 0.62 H new ATOM 0 HA THR A 37 4.968 -10.043 -3.498 1.00 0.63 H new ATOM 0 HB THR A 37 3.759 -8.376 -2.421 1.00 0.74 H new ATOM 0 HG1 THR A 37 4.357 -9.517 -0.706 1.00 0.92 H new ATOM 0 HG21 THR A 37 1.456 -8.636 -1.501 1.00 0.84 H new ATOM 0 HG22 THR A 37 1.498 -8.644 -3.280 1.00 0.84 H new ATOM 0 HG23 THR A 37 1.305 -10.171 -2.388 1.00 0.84 H new ATOM 552 N PRO A 38 4.355 -12.437 -2.718 1.00 0.89 N ATOM 553 CA PRO A 38 4.107 -13.871 -2.580 1.00 1.13 C ATOM 554 C PRO A 38 2.900 -14.253 -1.724 1.00 1.24 C ATOM 555 O PRO A 38 2.535 -15.425 -1.718 1.00 1.52 O ATOM 556 CB PRO A 38 5.401 -14.447 -2.014 1.00 1.20 C ATOM 557 CG PRO A 38 6.042 -13.292 -1.257 1.00 1.04 C ATOM 558 CD PRO A 38 5.631 -12.089 -2.096 1.00 0.84 C ATOM 0 HA PRO A 38 3.841 -14.282 -3.554 1.00 1.13 H new ATOM 0 HB2 PRO A 38 5.203 -15.291 -1.354 1.00 1.20 H new ATOM 0 HB3 PRO A 38 6.053 -14.810 -2.808 1.00 1.20 H new ATOM 0 HG2 PRO A 38 5.672 -13.220 -0.234 1.00 1.04 H new ATOM 0 HG3 PRO A 38 7.125 -13.396 -1.197 1.00 1.04 H new ATOM 0 HD2 PRO A 38 5.531 -11.199 -1.475 1.00 0.84 H new ATOM 0 HD3 PRO A 38 6.384 -11.867 -2.852 1.00 0.84 H new ATOM 566 N VAL A 39 2.276 -13.298 -1.030 1.00 1.08 N ATOM 567 CA VAL A 39 1.077 -13.551 -0.203 1.00 1.09 C ATOM 568 C VAL A 39 -0.266 -13.114 -0.817 1.00 0.86 C ATOM 569 O VAL A 39 -1.296 -13.311 -0.180 1.00 0.76 O ATOM 570 CB VAL A 39 1.221 -12.965 1.212 1.00 1.17 C ATOM 571 CG1 VAL A 39 2.432 -13.587 1.923 1.00 1.48 C ATOM 572 CG2 VAL A 39 1.278 -11.435 1.172 1.00 1.01 C ATOM 0 H VAL A 39 2.582 -12.325 -1.021 1.00 1.08 H new ATOM 0 HA VAL A 39 1.035 -14.639 -0.153 1.00 1.09 H new ATOM 0 HB VAL A 39 0.337 -13.222 1.795 1.00 1.17 H new ATOM 0 HG11 VAL A 39 2.523 -13.164 2.923 1.00 1.48 H new ATOM 0 HG12 VAL A 39 2.296 -14.666 1.996 1.00 1.48 H new ATOM 0 HG13 VAL A 39 3.337 -13.373 1.355 1.00 1.48 H new ATOM 0 HG21 VAL A 39 1.380 -11.048 2.186 1.00 1.01 H new ATOM 0 HG22 VAL A 39 2.133 -11.118 0.575 1.00 1.01 H new ATOM 0 HG23 VAL A 39 0.361 -11.048 0.726 1.00 1.01 H new ATOM 582 N ALA A 40 -0.290 -12.554 -2.035 1.00 0.92 N ATOM 583 CA ALA A 40 -1.499 -12.075 -2.723 1.00 0.89 C ATOM 584 C ALA A 40 -1.359 -12.134 -4.246 1.00 1.05 C ATOM 585 O ALA A 40 -0.267 -12.337 -4.765 1.00 1.19 O ATOM 586 CB ALA A 40 -1.858 -10.675 -2.215 1.00 0.95 C ATOM 0 H ALA A 40 0.557 -12.417 -2.586 1.00 0.92 H new ATOM 0 HA ALA A 40 -2.326 -12.744 -2.485 1.00 0.89 H new ATOM 0 HB1 ALA A 40 -2.754 -10.321 -2.725 1.00 0.95 H new ATOM 0 HB2 ALA A 40 -2.044 -10.714 -1.142 1.00 0.95 H new ATOM 0 HB3 ALA A 40 -1.032 -9.992 -2.416 1.00 0.95 H new ATOM 592 N GLU A 41 -2.490 -12.038 -4.945 1.00 1.18 N ATOM 593 CA GLU A 41 -2.582 -12.335 -6.367 1.00 1.24 C ATOM 594 C GLU A 41 -3.161 -11.153 -7.148 1.00 0.99 C ATOM 595 O GLU A 41 -2.496 -10.473 -7.929 1.00 1.56 O ATOM 596 CB GLU A 41 -3.478 -13.582 -6.486 1.00 1.39 C ATOM 597 CG GLU A 41 -3.518 -14.082 -7.938 1.00 1.54 C ATOM 598 CD GLU A 41 -2.108 -14.250 -8.526 1.00 3.16 C ATOM 599 OE1 GLU A 41 -1.390 -15.171 -8.086 1.00 4.14 O ATOM 600 OE2 GLU A 41 -1.672 -13.367 -9.297 1.00 4.39 O ATOM 0 H GLU A 41 -3.376 -11.748 -4.531 1.00 1.18 H new ATOM 0 HA GLU A 41 -1.596 -12.518 -6.795 1.00 1.24 H new ATOM 0 HB2 GLU A 41 -3.102 -14.371 -5.834 1.00 1.39 H new ATOM 0 HB3 GLU A 41 -4.487 -13.345 -6.149 1.00 1.39 H new ATOM 0 HG2 GLU A 41 -4.044 -15.036 -7.979 1.00 1.54 H new ATOM 0 HG3 GLU A 41 -4.084 -13.379 -8.549 1.00 1.54 H new ATOM 607 N ARG A 42 -4.420 -10.838 -6.866 1.00 0.69 N ATOM 608 CA ARG A 42 -4.986 -9.575 -7.270 1.00 0.99 C ATOM 609 C ARG A 42 -4.475 -8.559 -6.256 1.00 0.77 C ATOM 610 O ARG A 42 -4.181 -8.861 -5.106 1.00 0.95 O ATOM 611 CB ARG A 42 -6.516 -9.699 -7.381 1.00 1.38 C ATOM 612 CG ARG A 42 -6.930 -10.509 -8.624 1.00 1.66 C ATOM 613 CD ARG A 42 -6.756 -9.724 -9.932 1.00 1.62 C ATOM 614 NE ARG A 42 -6.678 -10.625 -11.095 1.00 2.73 N ATOM 615 CZ ARG A 42 -6.905 -10.296 -12.362 1.00 3.60 C ATOM 616 NH1 ARG A 42 -7.362 -9.105 -12.711 1.00 4.02 N ATOM 617 NH2 ARG A 42 -6.669 -11.175 -13.310 1.00 4.79 N ATOM 0 H ARG A 42 -5.062 -11.447 -6.358 1.00 0.69 H new ATOM 0 HA ARG A 42 -4.683 -9.245 -8.264 1.00 0.99 H new ATOM 0 HB2 ARG A 42 -6.909 -10.180 -6.485 1.00 1.38 H new ATOM 0 HB3 ARG A 42 -6.960 -8.705 -7.429 1.00 1.38 H new ATOM 0 HG2 ARG A 42 -6.336 -11.421 -8.672 1.00 1.66 H new ATOM 0 HG3 ARG A 42 -7.972 -10.812 -8.524 1.00 1.66 H new ATOM 0 HD2 ARG A 42 -7.592 -9.036 -10.059 1.00 1.62 H new ATOM 0 HD3 ARG A 42 -5.851 -9.119 -9.877 1.00 1.62 H new ATOM 0 HE ARG A 42 -6.425 -11.596 -10.909 1.00 2.73 H new ATOM 0 HH11 ARG A 42 -7.552 -8.402 -11.997 1.00 4.02 H new ATOM 0 HH12 ARG A 42 -7.524 -8.889 -13.695 1.00 4.02 H new ATOM 0 HH21 ARG A 42 -6.315 -12.101 -13.070 1.00 4.79 H new ATOM 0 HH22 ARG A 42 -6.840 -10.931 -14.286 1.00 4.79 H new ATOM 631 N VAL A 43 -4.283 -7.353 -6.733 1.00 0.86 N ATOM 632 CA VAL A 43 -3.744 -6.229 -5.979 1.00 0.62 C ATOM 633 C VAL A 43 -4.209 -4.943 -6.652 1.00 0.65 C ATOM 634 O VAL A 43 -4.205 -4.857 -7.880 1.00 0.96 O ATOM 635 CB VAL A 43 -2.210 -6.330 -5.813 1.00 0.69 C ATOM 636 CG1 VAL A 43 -1.403 -6.337 -7.122 1.00 0.97 C ATOM 637 CG2 VAL A 43 -1.659 -5.252 -4.871 1.00 0.74 C ATOM 0 H VAL A 43 -4.505 -7.110 -7.698 1.00 0.86 H new ATOM 0 HA VAL A 43 -4.124 -6.237 -4.957 1.00 0.62 H new ATOM 0 HB VAL A 43 -2.070 -7.315 -5.368 1.00 0.69 H new ATOM 0 HG11 VAL A 43 -0.340 -6.411 -6.894 1.00 0.97 H new ATOM 0 HG12 VAL A 43 -1.704 -7.190 -7.730 1.00 0.97 H new ATOM 0 HG13 VAL A 43 -1.593 -5.415 -7.671 1.00 0.97 H new ATOM 0 HG21 VAL A 43 -0.578 -5.362 -4.785 1.00 0.74 H new ATOM 0 HG22 VAL A 43 -1.893 -4.265 -5.271 1.00 0.74 H new ATOM 0 HG23 VAL A 43 -2.114 -5.362 -3.887 1.00 0.74 H new ATOM 647 N GLU A 44 -4.662 -3.999 -5.833 1.00 0.49 N ATOM 648 CA GLU A 44 -5.145 -2.672 -6.210 1.00 0.47 C ATOM 649 C GLU A 44 -4.412 -1.618 -5.392 1.00 0.48 C ATOM 650 O GLU A 44 -3.962 -1.878 -4.275 1.00 0.72 O ATOM 651 CB GLU A 44 -6.641 -2.517 -5.893 1.00 0.85 C ATOM 652 CG GLU A 44 -7.533 -3.469 -6.684 1.00 1.15 C ATOM 653 CD GLU A 44 -9.008 -3.206 -6.374 1.00 1.86 C ATOM 654 OE1 GLU A 44 -9.347 -3.099 -5.172 1.00 2.83 O ATOM 655 OE2 GLU A 44 -9.778 -3.060 -7.344 1.00 2.51 O ATOM 0 H GLU A 44 -4.705 -4.148 -4.825 1.00 0.49 H new ATOM 0 HA GLU A 44 -4.973 -2.550 -7.279 1.00 0.47 H new ATOM 0 HB2 GLU A 44 -6.798 -2.686 -4.828 1.00 0.85 H new ATOM 0 HB3 GLU A 44 -6.944 -1.491 -6.101 1.00 0.85 H new ATOM 0 HG2 GLU A 44 -7.352 -3.343 -7.751 1.00 1.15 H new ATOM 0 HG3 GLU A 44 -7.282 -4.501 -6.437 1.00 1.15 H new ATOM 662 N LEU A 45 -4.366 -0.399 -5.921 1.00 0.49 N ATOM 663 CA LEU A 45 -3.917 0.786 -5.194 1.00 0.50 C ATOM 664 C LEU A 45 -5.130 1.644 -4.831 1.00 0.44 C ATOM 665 O LEU A 45 -5.927 1.998 -5.700 1.00 0.42 O ATOM 666 CB LEU A 45 -2.908 1.534 -6.076 1.00 0.66 C ATOM 667 CG LEU A 45 -2.348 2.803 -5.410 1.00 0.60 C ATOM 668 CD1 LEU A 45 -1.403 2.503 -4.240 1.00 0.77 C ATOM 669 CD2 LEU A 45 -1.607 3.620 -6.463 1.00 0.98 C ATOM 0 H LEU A 45 -4.644 -0.203 -6.883 1.00 0.49 H new ATOM 0 HA LEU A 45 -3.422 0.521 -4.260 1.00 0.50 H new ATOM 0 HB2 LEU A 45 -2.083 0.865 -6.321 1.00 0.66 H new ATOM 0 HB3 LEU A 45 -3.388 1.806 -7.016 1.00 0.66 H new ATOM 0 HG LEU A 45 -3.192 3.357 -4.998 1.00 0.60 H new ATOM 0 HD11 LEU A 45 -1.043 3.439 -3.814 1.00 0.77 H new ATOM 0 HD12 LEU A 45 -1.938 1.939 -3.476 1.00 0.77 H new ATOM 0 HD13 LEU A 45 -0.556 1.917 -4.597 1.00 0.77 H new ATOM 0 HD21 LEU A 45 -1.204 4.524 -6.005 1.00 0.98 H new ATOM 0 HD22 LEU A 45 -0.791 3.027 -6.875 1.00 0.98 H new ATOM 0 HD23 LEU A 45 -2.296 3.894 -7.262 1.00 0.98 H new ATOM 681 N HIS A 46 -5.266 1.977 -3.550 1.00 0.50 N ATOM 682 CA HIS A 46 -6.378 2.709 -2.944 1.00 0.49 C ATOM 683 C HIS A 46 -5.951 3.976 -2.180 1.00 0.50 C ATOM 684 O HIS A 46 -4.833 4.117 -1.680 1.00 0.63 O ATOM 685 CB HIS A 46 -7.099 1.793 -1.928 1.00 0.58 C ATOM 686 CG HIS A 46 -7.968 0.672 -2.432 1.00 0.57 C ATOM 687 ND1 HIS A 46 -8.671 -0.188 -1.601 1.00 0.67 N ATOM 688 CD2 HIS A 46 -8.180 0.273 -3.717 1.00 0.54 C ATOM 689 CE1 HIS A 46 -9.295 -1.070 -2.385 1.00 0.70 C ATOM 690 NE2 HIS A 46 -9.022 -0.822 -3.670 1.00 0.63 N ATOM 0 H HIS A 46 -4.556 1.727 -2.861 1.00 0.50 H new ATOM 0 HA HIS A 46 -7.018 3.012 -3.772 1.00 0.49 H new ATOM 0 HB2 HIS A 46 -6.336 1.353 -1.286 1.00 0.58 H new ATOM 0 HB3 HIS A 46 -7.719 2.429 -1.296 1.00 0.58 H new ATOM 0 HD2 HIS A 46 -7.768 0.727 -4.606 1.00 0.54 H new ATOM 0 HE1 HIS A 46 -9.929 -1.869 -2.032 1.00 0.70 H new ATOM 0 HE2 HIS A 46 -9.372 -1.347 -4.472 1.00 0.63 H new ATOM 698 N GLU A 47 -6.940 4.840 -1.986 1.00 0.44 N ATOM 699 CA GLU A 47 -6.993 5.855 -0.937 1.00 0.45 C ATOM 700 C GLU A 47 -8.018 5.478 0.147 1.00 0.46 C ATOM 701 O GLU A 47 -8.908 4.652 -0.091 1.00 0.55 O ATOM 702 CB GLU A 47 -7.308 7.213 -1.578 1.00 0.46 C ATOM 703 CG GLU A 47 -8.752 7.357 -2.057 1.00 0.54 C ATOM 704 CD GLU A 47 -9.112 8.791 -2.428 1.00 0.97 C ATOM 705 OE1 GLU A 47 -8.506 9.368 -3.353 1.00 2.06 O ATOM 706 OE2 GLU A 47 -10.132 9.285 -1.901 1.00 1.76 O ATOM 0 H GLU A 47 -7.767 4.854 -2.583 1.00 0.44 H new ATOM 0 HA GLU A 47 -6.026 5.918 -0.438 1.00 0.45 H new ATOM 0 HB2 GLU A 47 -7.096 8.001 -0.856 1.00 0.46 H new ATOM 0 HB3 GLU A 47 -6.639 7.367 -2.424 1.00 0.46 H new ATOM 0 HG2 GLU A 47 -8.909 6.713 -2.922 1.00 0.54 H new ATOM 0 HG3 GLU A 47 -9.426 7.009 -1.274 1.00 0.54 H new ATOM 713 N THR A 48 -7.913 6.138 1.303 1.00 0.55 N ATOM 714 CA THR A 48 -8.924 6.197 2.372 1.00 0.53 C ATOM 715 C THR A 48 -9.365 7.657 2.476 1.00 0.45 C ATOM 716 O THR A 48 -8.512 8.539 2.384 1.00 0.57 O ATOM 717 CB THR A 48 -8.318 5.754 3.709 1.00 0.74 C ATOM 718 OG1 THR A 48 -7.879 4.418 3.639 1.00 1.04 O ATOM 719 CG2 THR A 48 -9.296 5.827 4.884 1.00 0.84 C ATOM 0 H THR A 48 -7.078 6.675 1.535 1.00 0.55 H new ATOM 0 HA THR A 48 -9.761 5.536 2.146 1.00 0.53 H new ATOM 0 HB THR A 48 -7.497 6.450 3.884 1.00 0.74 H new ATOM 0 HG1 THR A 48 -6.979 4.389 3.251 1.00 1.04 H new ATOM 0 HG21 THR A 48 -8.796 5.498 5.795 1.00 0.84 H new ATOM 0 HG22 THR A 48 -9.639 6.854 5.009 1.00 0.84 H new ATOM 0 HG23 THR A 48 -10.151 5.181 4.686 1.00 0.84 H new ATOM 727 N PHE A 49 -10.658 7.914 2.694 1.00 0.46 N ATOM 728 CA PHE A 49 -11.240 9.260 2.757 1.00 0.56 C ATOM 729 C PHE A 49 -12.396 9.382 3.774 1.00 0.60 C ATOM 730 O PHE A 49 -12.740 8.438 4.488 1.00 0.55 O ATOM 731 CB PHE A 49 -11.638 9.717 1.339 1.00 0.63 C ATOM 732 CG PHE A 49 -12.805 8.989 0.680 1.00 0.66 C ATOM 733 CD1 PHE A 49 -14.113 9.489 0.836 1.00 1.67 C ATOM 734 CD2 PHE A 49 -12.592 7.863 -0.141 1.00 2.02 C ATOM 735 CE1 PHE A 49 -15.195 8.861 0.200 1.00 1.67 C ATOM 736 CE2 PHE A 49 -13.682 7.233 -0.770 1.00 2.09 C ATOM 737 CZ PHE A 49 -14.983 7.725 -0.598 1.00 0.86 C ATOM 0 H PHE A 49 -11.347 7.175 2.835 1.00 0.46 H new ATOM 0 HA PHE A 49 -10.476 9.938 3.138 1.00 0.56 H new ATOM 0 HB2 PHE A 49 -11.881 10.779 1.381 1.00 0.63 H new ATOM 0 HB3 PHE A 49 -10.766 9.615 0.693 1.00 0.63 H new ATOM 0 HD1 PHE A 49 -14.284 10.361 1.449 1.00 1.67 H new ATOM 0 HD2 PHE A 49 -11.592 7.484 -0.287 1.00 2.02 H new ATOM 0 HE1 PHE A 49 -16.194 9.253 0.325 1.00 1.67 H new ATOM 0 HE2 PHE A 49 -13.515 6.364 -1.390 1.00 2.09 H new ATOM 0 HZ PHE A 49 -15.817 7.234 -1.076 1.00 0.86 H new ATOM 747 N MET A 50 -13.002 10.573 3.859 1.00 0.89 N ATOM 748 CA MET A 50 -14.085 10.912 4.794 1.00 0.91 C ATOM 749 C MET A 50 -15.314 11.499 4.090 1.00 0.98 C ATOM 750 O MET A 50 -15.193 12.249 3.122 1.00 1.08 O ATOM 751 CB MET A 50 -13.566 11.915 5.833 1.00 0.99 C ATOM 752 CG MET A 50 -12.589 11.261 6.815 1.00 2.06 C ATOM 753 SD MET A 50 -12.036 12.355 8.145 1.00 2.45 S ATOM 754 CE MET A 50 -10.920 13.423 7.200 1.00 3.64 C ATOM 0 H MET A 50 -12.743 11.355 3.258 1.00 0.89 H new ATOM 0 HA MET A 50 -14.399 9.985 5.275 1.00 0.91 H new ATOM 0 HB2 MET A 50 -13.071 12.742 5.324 1.00 0.99 H new ATOM 0 HB3 MET A 50 -14.407 12.337 6.383 1.00 0.99 H new ATOM 0 HG2 MET A 50 -13.065 10.384 7.254 1.00 2.06 H new ATOM 0 HG3 MET A 50 -11.718 10.908 6.263 1.00 2.06 H new ATOM 0 HE1 MET A 50 -10.387 14.086 7.881 1.00 3.64 H new ATOM 0 HE2 MET A 50 -10.202 12.809 6.656 1.00 3.64 H new ATOM 0 HE3 MET A 50 -11.498 14.018 6.492 1.00 3.64 H new ATOM 764 N ARG A 51 -16.505 11.170 4.602 1.00 1.03 N ATOM 765 CA ARG A 51 -17.808 11.634 4.108 1.00 1.19 C ATOM 766 C ARG A 51 -18.738 12.047 5.257 1.00 1.14 C ATOM 767 O ARG A 51 -18.920 11.306 6.218 1.00 1.24 O ATOM 768 CB ARG A 51 -18.503 10.516 3.311 1.00 1.46 C ATOM 769 CG ARG A 51 -17.969 10.372 1.876 1.00 1.50 C ATOM 770 CD ARG A 51 -18.689 11.186 0.784 1.00 1.79 C ATOM 771 NE ARG A 51 -18.819 12.620 1.110 1.00 3.15 N ATOM 772 CZ ARG A 51 -19.877 13.193 1.688 1.00 4.30 C ATOM 773 NH1 ARG A 51 -20.986 12.532 1.928 1.00 4.28 N ATOM 774 NH2 ARG A 51 -19.844 14.448 2.081 1.00 6.00 N ATOM 0 H ARG A 51 -16.592 10.547 5.405 1.00 1.03 H new ATOM 0 HA ARG A 51 -17.617 12.499 3.473 1.00 1.19 H new ATOM 0 HB2 ARG A 51 -18.373 9.570 3.836 1.00 1.46 H new ATOM 0 HB3 ARG A 51 -19.574 10.716 3.275 1.00 1.46 H new ATOM 0 HG2 ARG A 51 -16.917 10.657 1.874 1.00 1.50 H new ATOM 0 HG3 ARG A 51 -18.014 9.318 1.600 1.00 1.50 H new ATOM 0 HD2 ARG A 51 -18.144 11.082 -0.154 1.00 1.79 H new ATOM 0 HD3 ARG A 51 -19.682 10.766 0.624 1.00 1.79 H new ATOM 0 HE ARG A 51 -18.033 13.225 0.873 1.00 3.15 H new ATOM 0 HH11 ARG A 51 -21.059 11.548 1.671 1.00 4.28 H new ATOM 0 HH12 ARG A 51 -21.775 13.003 2.372 1.00 4.28 H new ATOM 0 HH21 ARG A 51 -18.999 15.003 1.946 1.00 6.00 H new ATOM 0 HH22 ARG A 51 -20.664 14.866 2.521 1.00 6.00 H new ATOM 788 N GLU A 52 -19.410 13.183 5.084 1.00 1.10 N ATOM 789 CA GLU A 52 -20.503 13.650 5.900 1.00 1.12 C ATOM 790 C GLU A 52 -21.848 13.468 5.188 1.00 1.33 C ATOM 791 O GLU A 52 -22.003 13.929 4.052 1.00 1.67 O ATOM 792 CB GLU A 52 -20.251 15.139 6.152 1.00 1.39 C ATOM 793 CG GLU A 52 -20.746 15.503 7.535 1.00 1.82 C ATOM 794 CD GLU A 52 -19.942 14.844 8.654 1.00 2.29 C ATOM 795 OE1 GLU A 52 -18.825 14.358 8.369 1.00 3.16 O ATOM 796 OE2 GLU A 52 -20.499 14.745 9.771 1.00 2.75 O ATOM 0 H GLU A 52 -19.186 13.829 4.327 1.00 1.10 H new ATOM 0 HA GLU A 52 -20.551 13.082 6.829 1.00 1.12 H new ATOM 0 HB2 GLU A 52 -19.187 15.359 6.064 1.00 1.39 H new ATOM 0 HB3 GLU A 52 -20.764 15.739 5.400 1.00 1.39 H new ATOM 0 HG2 GLU A 52 -20.705 16.586 7.656 1.00 1.82 H new ATOM 0 HG3 GLU A 52 -21.792 15.212 7.628 1.00 1.82 H new ATOM 803 N VAL A 53 -22.818 12.828 5.842 1.00 1.36 N ATOM 804 CA VAL A 53 -24.190 12.643 5.335 1.00 1.65 C ATOM 805 C VAL A 53 -25.156 12.963 6.481 1.00 1.74 C ATOM 806 O VAL A 53 -24.986 12.419 7.560 1.00 2.09 O ATOM 807 CB VAL A 53 -24.414 11.202 4.809 1.00 1.80 C ATOM 808 CG1 VAL A 53 -25.818 11.051 4.199 1.00 2.67 C ATOM 809 CG2 VAL A 53 -23.388 10.820 3.722 1.00 2.17 C ATOM 0 H VAL A 53 -22.674 12.412 6.762 1.00 1.36 H new ATOM 0 HA VAL A 53 -24.365 13.311 4.491 1.00 1.65 H new ATOM 0 HB VAL A 53 -24.297 10.543 5.669 1.00 1.80 H new ATOM 0 HG11 VAL A 53 -25.950 10.031 3.837 1.00 2.67 H new ATOM 0 HG12 VAL A 53 -26.570 11.267 4.958 1.00 2.67 H new ATOM 0 HG13 VAL A 53 -25.931 11.748 3.368 1.00 2.67 H new ATOM 0 HG21 VAL A 53 -23.581 9.803 3.381 1.00 2.17 H new ATOM 0 HG22 VAL A 53 -23.476 11.508 2.881 1.00 2.17 H new ATOM 0 HG23 VAL A 53 -22.381 10.879 4.135 1.00 2.17 H new ATOM 819 N GLU A 54 -26.084 13.903 6.266 1.00 1.85 N ATOM 820 CA GLU A 54 -26.971 14.534 7.274 1.00 2.05 C ATOM 821 C GLU A 54 -26.244 15.340 8.377 1.00 1.88 C ATOM 822 O GLU A 54 -26.844 15.673 9.398 1.00 2.13 O ATOM 823 CB GLU A 54 -27.899 13.546 8.005 1.00 2.40 C ATOM 824 CG GLU A 54 -28.591 12.370 7.317 1.00 2.41 C ATOM 825 CD GLU A 54 -29.076 11.478 8.460 1.00 3.09 C ATOM 826 OE1 GLU A 54 -30.031 11.885 9.161 1.00 3.98 O ATOM 827 OE2 GLU A 54 -28.327 10.569 8.870 1.00 3.54 O ATOM 0 H GLU A 54 -26.253 14.272 5.330 1.00 1.85 H new ATOM 0 HA GLU A 54 -27.548 15.211 6.644 1.00 2.05 H new ATOM 0 HB2 GLU A 54 -27.314 13.122 8.821 1.00 2.40 H new ATOM 0 HB3 GLU A 54 -28.690 14.145 8.457 1.00 2.40 H new ATOM 0 HG2 GLU A 54 -29.423 12.707 6.699 1.00 2.41 H new ATOM 0 HG3 GLU A 54 -27.903 11.835 6.662 1.00 2.41 H new ATOM 834 N GLY A 55 -24.942 15.592 8.233 1.00 1.66 N ATOM 835 CA GLY A 55 -24.097 16.046 9.352 1.00 1.71 C ATOM 836 C GLY A 55 -23.702 14.907 10.302 1.00 1.52 C ATOM 837 O GLY A 55 -23.542 15.118 11.501 1.00 1.74 O ATOM 0 H GLY A 55 -24.442 15.490 7.350 1.00 1.66 H new ATOM 0 HA2 GLY A 55 -23.195 16.510 8.954 1.00 1.71 H new ATOM 0 HA3 GLY A 55 -24.629 16.813 9.914 1.00 1.71 H new ATOM 841 N LYS A 56 -23.585 13.687 9.768 1.00 1.28 N ATOM 842 CA LYS A 56 -23.010 12.515 10.424 1.00 1.23 C ATOM 843 C LYS A 56 -21.788 12.060 9.612 1.00 1.11 C ATOM 844 O LYS A 56 -21.873 11.847 8.393 1.00 1.04 O ATOM 845 CB LYS A 56 -23.995 11.329 10.566 1.00 1.32 C ATOM 846 CG LYS A 56 -25.484 11.655 10.681 1.00 1.43 C ATOM 847 CD LYS A 56 -25.993 12.342 11.955 1.00 2.12 C ATOM 848 CE LYS A 56 -27.419 12.874 11.706 1.00 2.67 C ATOM 849 NZ LYS A 56 -28.374 11.805 11.309 1.00 2.74 N ATOM 0 H LYS A 56 -23.905 13.483 8.821 1.00 1.28 H new ATOM 0 HA LYS A 56 -22.742 12.813 11.438 1.00 1.23 H new ATOM 0 HB2 LYS A 56 -23.860 10.675 9.704 1.00 1.32 H new ATOM 0 HB3 LYS A 56 -23.707 10.757 11.448 1.00 1.32 H new ATOM 0 HG2 LYS A 56 -25.749 12.289 9.835 1.00 1.43 H new ATOM 0 HG3 LYS A 56 -26.036 10.722 10.566 1.00 1.43 H new ATOM 0 HD2 LYS A 56 -25.994 11.638 12.787 1.00 2.12 H new ATOM 0 HD3 LYS A 56 -25.329 13.161 12.232 1.00 2.12 H new ATOM 0 HE2 LYS A 56 -27.783 13.362 12.611 1.00 2.67 H new ATOM 0 HE3 LYS A 56 -27.387 13.634 10.925 1.00 2.67 H new ATOM 0 HZ1 LYS A 56 -29.240 12.237 10.929 1.00 2.74 H new ATOM 0 HZ2 LYS A 56 -27.939 11.203 10.581 1.00 2.74 H new ATOM 0 HZ3 LYS A 56 -28.612 11.226 12.140 1.00 2.74 H new ATOM 863 N LYS A 57 -20.669 11.873 10.300 1.00 1.31 N ATOM 864 CA LYS A 57 -19.375 11.492 9.746 1.00 1.33 C ATOM 865 C LYS A 57 -19.221 9.971 9.620 1.00 1.35 C ATOM 866 O LYS A 57 -19.356 9.238 10.598 1.00 1.51 O ATOM 867 CB LYS A 57 -18.245 12.136 10.574 1.00 1.54 C ATOM 868 CG LYS A 57 -18.241 11.832 12.078 1.00 2.93 C ATOM 869 CD LYS A 57 -17.324 12.838 12.788 1.00 3.38 C ATOM 870 CE LYS A 57 -17.424 12.673 14.305 1.00 4.88 C ATOM 871 NZ LYS A 57 -16.662 13.734 15.006 1.00 6.14 N ATOM 0 H LYS A 57 -20.637 11.989 11.313 1.00 1.31 H new ATOM 0 HA LYS A 57 -19.309 11.874 8.727 1.00 1.33 H new ATOM 0 HB2 LYS A 57 -17.291 11.813 10.158 1.00 1.54 H new ATOM 0 HB3 LYS A 57 -18.300 13.217 10.444 1.00 1.54 H new ATOM 0 HG2 LYS A 57 -19.253 11.897 12.478 1.00 2.93 H new ATOM 0 HG3 LYS A 57 -17.893 10.814 12.256 1.00 2.93 H new ATOM 0 HD2 LYS A 57 -16.293 12.689 12.467 1.00 3.38 H new ATOM 0 HD3 LYS A 57 -17.602 13.854 12.507 1.00 3.38 H new ATOM 0 HE2 LYS A 57 -18.470 12.709 14.610 1.00 4.88 H new ATOM 0 HE3 LYS A 57 -17.041 11.694 14.594 1.00 4.88 H new ATOM 0 HZ1 LYS A 57 -16.746 13.600 16.034 1.00 6.14 H new ATOM 0 HZ2 LYS A 57 -15.661 13.682 14.730 1.00 6.14 H new ATOM 0 HZ3 LYS A 57 -17.045 14.666 14.746 1.00 6.14 H new ATOM 885 N VAL A 58 -18.877 9.526 8.417 1.00 1.25 N ATOM 886 CA VAL A 58 -18.583 8.133 8.050 1.00 1.28 C ATOM 887 C VAL A 58 -17.405 8.102 7.067 1.00 1.18 C ATOM 888 O VAL A 58 -17.257 9.005 6.248 1.00 1.34 O ATOM 889 CB VAL A 58 -19.850 7.436 7.489 1.00 1.39 C ATOM 890 CG1 VAL A 58 -20.370 8.059 6.178 1.00 1.91 C ATOM 891 CG2 VAL A 58 -19.623 5.927 7.296 1.00 2.93 C ATOM 0 H VAL A 58 -18.789 10.158 7.622 1.00 1.25 H new ATOM 0 HA VAL A 58 -18.290 7.570 8.936 1.00 1.28 H new ATOM 0 HB VAL A 58 -20.621 7.593 8.244 1.00 1.39 H new ATOM 0 HG11 VAL A 58 -21.257 7.520 5.846 1.00 1.91 H new ATOM 0 HG12 VAL A 58 -20.624 9.105 6.348 1.00 1.91 H new ATOM 0 HG13 VAL A 58 -19.597 7.993 5.412 1.00 1.91 H new ATOM 0 HG21 VAL A 58 -20.531 5.470 6.902 1.00 2.93 H new ATOM 0 HG22 VAL A 58 -18.803 5.769 6.595 1.00 2.93 H new ATOM 0 HG23 VAL A 58 -19.374 5.471 8.254 1.00 2.93 H new ATOM 901 N MET A 59 -16.521 7.106 7.166 1.00 1.02 N ATOM 902 CA MET A 59 -15.347 6.985 6.279 1.00 0.85 C ATOM 903 C MET A 59 -15.621 6.205 4.991 1.00 0.78 C ATOM 904 O MET A 59 -16.607 5.484 4.868 1.00 0.97 O ATOM 905 CB MET A 59 -14.149 6.391 7.027 1.00 0.86 C ATOM 906 CG MET A 59 -13.510 7.481 7.889 1.00 0.89 C ATOM 907 SD MET A 59 -12.101 6.915 8.873 1.00 2.15 S ATOM 908 CE MET A 59 -11.574 8.506 9.558 1.00 2.65 C ATOM 0 H MET A 59 -16.593 6.360 7.858 1.00 1.02 H new ATOM 0 HA MET A 59 -15.107 8.002 5.970 1.00 0.85 H new ATOM 0 HB2 MET A 59 -14.471 5.557 7.651 1.00 0.86 H new ATOM 0 HB3 MET A 59 -13.421 5.996 6.318 1.00 0.86 H new ATOM 0 HG2 MET A 59 -13.184 8.296 7.242 1.00 0.89 H new ATOM 0 HG3 MET A 59 -14.267 7.889 8.559 1.00 0.89 H new ATOM 0 HE1 MET A 59 -10.706 8.356 10.199 1.00 2.65 H new ATOM 0 HE2 MET A 59 -11.312 9.183 8.745 1.00 2.65 H new ATOM 0 HE3 MET A 59 -12.387 8.938 10.142 1.00 2.65 H new ATOM 918 N GLY A 60 -14.708 6.373 4.033 1.00 0.60 N ATOM 919 CA GLY A 60 -14.720 5.726 2.731 1.00 0.59 C ATOM 920 C GLY A 60 -13.324 5.309 2.274 1.00 0.55 C ATOM 921 O GLY A 60 -12.320 5.589 2.920 1.00 0.57 O ATOM 0 H GLY A 60 -13.907 6.992 4.154 1.00 0.60 H new ATOM 0 HA2 GLY A 60 -15.364 4.847 2.771 1.00 0.59 H new ATOM 0 HA3 GLY A 60 -15.152 6.404 1.995 1.00 0.59 H new ATOM 925 N MET A 61 -13.276 4.623 1.139 1.00 0.57 N ATOM 926 CA MET A 61 -12.078 4.099 0.493 1.00 0.54 C ATOM 927 C MET A 61 -12.381 3.906 -0.993 1.00 0.56 C ATOM 928 O MET A 61 -13.526 3.618 -1.339 1.00 0.62 O ATOM 929 CB MET A 61 -11.757 2.782 1.200 1.00 0.61 C ATOM 930 CG MET A 61 -10.635 1.956 0.575 1.00 0.72 C ATOM 931 SD MET A 61 -10.473 0.283 1.261 1.00 0.85 S ATOM 932 CE MET A 61 -10.597 0.656 3.031 1.00 1.51 C ATOM 0 H MET A 61 -14.122 4.404 0.613 1.00 0.57 H new ATOM 0 HA MET A 61 -11.219 4.766 0.564 1.00 0.54 H new ATOM 0 HB2 MET A 61 -11.491 3.001 2.234 1.00 0.61 H new ATOM 0 HB3 MET A 61 -12.661 2.174 1.225 1.00 0.61 H new ATOM 0 HG2 MET A 61 -10.809 1.881 -0.499 1.00 0.72 H new ATOM 0 HG3 MET A 61 -9.691 2.485 0.709 1.00 0.72 H new ATOM 0 HE1 MET A 61 -10.256 -0.203 3.609 1.00 1.51 H new ATOM 0 HE2 MET A 61 -9.976 1.520 3.265 1.00 1.51 H new ATOM 0 HE3 MET A 61 -11.634 0.875 3.285 1.00 1.51 H new ATOM 942 N ARG A 62 -11.391 4.068 -1.874 1.00 0.54 N ATOM 943 CA ARG A 62 -11.576 3.940 -3.333 1.00 0.54 C ATOM 944 C ARG A 62 -10.239 3.712 -4.056 1.00 0.45 C ATOM 945 O ARG A 62 -9.210 4.129 -3.518 1.00 0.45 O ATOM 946 CB ARG A 62 -12.356 5.154 -3.898 1.00 0.60 C ATOM 947 CG ARG A 62 -11.608 6.490 -3.822 1.00 1.58 C ATOM 948 CD ARG A 62 -12.447 7.660 -4.355 1.00 1.75 C ATOM 949 NE ARG A 62 -11.734 8.919 -4.116 1.00 2.79 N ATOM 950 CZ ARG A 62 -11.489 9.932 -4.927 1.00 3.68 C ATOM 951 NH1 ARG A 62 -12.157 10.134 -6.045 1.00 3.73 N ATOM 952 NH2 ARG A 62 -10.533 10.760 -4.589 1.00 4.68 N ATOM 0 H ARG A 62 -10.434 4.292 -1.601 1.00 0.54 H new ATOM 0 HA ARG A 62 -12.181 3.053 -3.521 1.00 0.54 H new ATOM 0 HB2 ARG A 62 -12.608 4.953 -4.939 1.00 0.60 H new ATOM 0 HB3 ARG A 62 -13.296 5.249 -3.355 1.00 0.60 H new ATOM 0 HG2 ARG A 62 -11.328 6.689 -2.787 1.00 1.58 H new ATOM 0 HG3 ARG A 62 -10.683 6.419 -4.394 1.00 1.58 H new ATOM 0 HD2 ARG A 62 -12.634 7.532 -5.421 1.00 1.75 H new ATOM 0 HD3 ARG A 62 -13.419 7.680 -3.861 1.00 1.75 H new ATOM 0 HE ARG A 62 -11.368 9.030 -3.170 1.00 2.79 H new ATOM 0 HH11 ARG A 62 -12.902 9.492 -6.317 1.00 3.73 H new ATOM 0 HH12 ARG A 62 -11.929 10.932 -6.638 1.00 3.73 H new ATOM 0 HH21 ARG A 62 -10.009 10.610 -3.727 1.00 4.68 H new ATOM 0 HH22 ARG A 62 -10.312 11.556 -5.188 1.00 4.68 H new ATOM 966 N PRO A 63 -10.221 3.064 -5.237 1.00 0.47 N ATOM 967 CA PRO A 63 -8.991 2.846 -5.983 1.00 0.46 C ATOM 968 C PRO A 63 -8.505 4.125 -6.667 1.00 0.43 C ATOM 969 O PRO A 63 -9.294 5.025 -6.946 1.00 0.45 O ATOM 970 CB PRO A 63 -9.292 1.723 -6.969 1.00 0.52 C ATOM 971 CG PRO A 63 -10.778 1.926 -7.261 1.00 0.56 C ATOM 972 CD PRO A 63 -11.331 2.399 -5.912 1.00 0.56 C ATOM 0 HA PRO A 63 -8.170 2.564 -5.325 1.00 0.46 H new ATOM 0 HB2 PRO A 63 -8.687 1.803 -7.872 1.00 0.52 H new ATOM 0 HB3 PRO A 63 -9.094 0.741 -6.538 1.00 0.52 H new ATOM 0 HG2 PRO A 63 -10.938 2.666 -8.045 1.00 0.56 H new ATOM 0 HG3 PRO A 63 -11.254 1.003 -7.592 1.00 0.56 H new ATOM 0 HD2 PRO A 63 -12.169 3.082 -6.051 1.00 0.56 H new ATOM 0 HD3 PRO A 63 -11.699 1.558 -5.324 1.00 0.56 H new ATOM 980 N VAL A 64 -7.194 4.182 -6.925 1.00 0.43 N ATOM 981 CA VAL A 64 -6.477 5.321 -7.530 1.00 0.42 C ATOM 982 C VAL A 64 -5.399 4.806 -8.512 1.00 0.45 C ATOM 983 O VAL A 64 -4.920 3.682 -8.338 1.00 0.50 O ATOM 984 CB VAL A 64 -5.874 6.270 -6.456 1.00 0.40 C ATOM 985 CG1 VAL A 64 -6.965 6.917 -5.589 1.00 0.50 C ATOM 986 CG2 VAL A 64 -4.842 5.590 -5.545 1.00 0.59 C ATOM 0 H VAL A 64 -6.572 3.403 -6.710 1.00 0.43 H new ATOM 0 HA VAL A 64 -7.198 5.916 -8.091 1.00 0.42 H new ATOM 0 HB VAL A 64 -5.355 7.041 -7.025 1.00 0.40 H new ATOM 0 HG11 VAL A 64 -6.502 7.573 -4.851 1.00 0.50 H new ATOM 0 HG12 VAL A 64 -7.635 7.499 -6.222 1.00 0.50 H new ATOM 0 HG13 VAL A 64 -7.533 6.139 -5.078 1.00 0.50 H new ATOM 0 HG21 VAL A 64 -4.464 6.312 -4.821 1.00 0.59 H new ATOM 0 HG22 VAL A 64 -5.313 4.760 -5.018 1.00 0.59 H new ATOM 0 HG23 VAL A 64 -4.015 5.215 -6.148 1.00 0.59 H new ATOM 996 N PRO A 65 -5.043 5.569 -9.572 1.00 0.45 N ATOM 997 CA PRO A 65 -4.292 5.056 -10.721 1.00 0.47 C ATOM 998 C PRO A 65 -2.787 4.940 -10.464 1.00 0.46 C ATOM 999 O PRO A 65 -2.117 4.184 -11.159 1.00 0.46 O ATOM 1000 CB PRO A 65 -4.589 6.042 -11.856 1.00 0.52 C ATOM 1001 CG PRO A 65 -4.758 7.370 -11.123 1.00 0.52 C ATOM 1002 CD PRO A 65 -5.423 6.955 -9.809 1.00 0.48 C ATOM 0 HA PRO A 65 -4.599 4.037 -10.956 1.00 0.47 H new ATOM 0 HB2 PRO A 65 -3.775 6.081 -12.580 1.00 0.52 H new ATOM 0 HB3 PRO A 65 -5.490 5.766 -12.404 1.00 0.52 H new ATOM 0 HG2 PRO A 65 -3.800 7.862 -10.953 1.00 0.52 H new ATOM 0 HG3 PRO A 65 -5.378 8.066 -11.687 1.00 0.52 H new ATOM 0 HD2 PRO A 65 -5.093 7.593 -8.989 1.00 0.48 H new ATOM 0 HD3 PRO A 65 -6.506 7.054 -9.874 1.00 0.48 H new ATOM 1010 N PHE A 66 -2.282 5.680 -9.474 1.00 0.45 N ATOM 1011 CA PHE A 66 -0.892 5.694 -9.018 1.00 0.45 C ATOM 1012 C PHE A 66 -0.721 6.643 -7.826 1.00 0.45 C ATOM 1013 O PHE A 66 -1.557 7.513 -7.584 1.00 0.46 O ATOM 1014 CB PHE A 66 0.078 6.087 -10.144 1.00 0.51 C ATOM 1015 CG PHE A 66 -0.202 7.450 -10.735 1.00 0.52 C ATOM 1016 CD1 PHE A 66 0.313 8.595 -10.107 1.00 1.74 C ATOM 1017 CD2 PHE A 66 -1.035 7.576 -11.858 1.00 1.63 C ATOM 1018 CE1 PHE A 66 -0.019 9.872 -10.578 1.00 1.70 C ATOM 1019 CE2 PHE A 66 -1.343 8.858 -12.355 1.00 1.70 C ATOM 1020 CZ PHE A 66 -0.843 10.005 -11.711 1.00 0.58 C ATOM 0 H PHE A 66 -2.867 6.322 -8.939 1.00 0.45 H new ATOM 0 HA PHE A 66 -0.648 4.679 -8.705 1.00 0.45 H new ATOM 0 HB2 PHE A 66 1.097 6.070 -9.757 1.00 0.51 H new ATOM 0 HB3 PHE A 66 0.025 5.339 -10.935 1.00 0.51 H new ATOM 0 HD1 PHE A 66 0.969 8.491 -9.256 1.00 1.74 H new ATOM 0 HD2 PHE A 66 -1.437 6.696 -12.338 1.00 1.63 H new ATOM 0 HE1 PHE A 66 0.356 10.750 -10.074 1.00 1.70 H new ATOM 0 HE2 PHE A 66 -1.964 8.961 -13.232 1.00 1.70 H new ATOM 0 HZ PHE A 66 -1.092 10.987 -12.086 1.00 0.58 H new ATOM 1030 N LEU A 67 0.420 6.524 -7.140 1.00 0.48 N ATOM 1031 CA LEU A 67 0.983 7.579 -6.294 1.00 0.47 C ATOM 1032 C LEU A 67 2.205 8.205 -6.961 1.00 0.49 C ATOM 1033 O LEU A 67 2.968 7.503 -7.619 1.00 0.61 O ATOM 1034 CB LEU A 67 1.421 7.009 -4.934 1.00 0.48 C ATOM 1035 CG LEU A 67 0.336 6.352 -4.067 1.00 0.52 C ATOM 1036 CD1 LEU A 67 0.893 6.216 -2.646 1.00 0.67 C ATOM 1037 CD2 LEU A 67 -0.990 7.117 -4.023 1.00 0.49 C ATOM 0 H LEU A 67 0.988 5.677 -7.158 1.00 0.48 H new ATOM 0 HA LEU A 67 0.208 8.332 -6.150 1.00 0.47 H new ATOM 0 HB2 LEU A 67 2.203 6.271 -5.113 1.00 0.48 H new ATOM 0 HB3 LEU A 67 1.871 7.817 -4.358 1.00 0.48 H new ATOM 0 HG LEU A 67 0.101 5.388 -4.518 1.00 0.52 H new ATOM 0 HD11 LEU A 67 0.144 5.752 -2.005 1.00 0.67 H new ATOM 0 HD12 LEU A 67 1.790 5.596 -2.664 1.00 0.67 H new ATOM 0 HD13 LEU A 67 1.142 7.203 -2.257 1.00 0.67 H new ATOM 0 HD21 LEU A 67 -1.698 6.583 -3.389 1.00 0.49 H new ATOM 0 HD22 LEU A 67 -0.821 8.115 -3.618 1.00 0.49 H new ATOM 0 HD23 LEU A 67 -1.396 7.199 -5.031 1.00 0.49 H new ATOM 1049 N GLU A 68 2.408 9.503 -6.749 1.00 0.48 N ATOM 1050 CA GLU A 68 3.579 10.245 -7.221 1.00 0.55 C ATOM 1051 C GLU A 68 4.499 10.529 -6.032 1.00 0.62 C ATOM 1052 O GLU A 68 4.008 10.907 -4.969 1.00 0.68 O ATOM 1053 CB GLU A 68 3.137 11.580 -7.846 1.00 0.64 C ATOM 1054 CG GLU A 68 4.285 12.330 -8.550 1.00 0.74 C ATOM 1055 CD GLU A 68 4.703 11.688 -9.877 1.00 0.96 C ATOM 1056 OE1 GLU A 68 4.076 10.691 -10.294 1.00 1.87 O ATOM 1057 OE2 GLU A 68 5.638 12.199 -10.531 1.00 1.63 O ATOM 0 H GLU A 68 1.748 10.084 -6.232 1.00 0.48 H new ATOM 0 HA GLU A 68 4.104 9.654 -7.971 1.00 0.55 H new ATOM 0 HB2 GLU A 68 2.340 11.391 -8.565 1.00 0.64 H new ATOM 0 HB3 GLU A 68 2.719 12.218 -7.067 1.00 0.64 H new ATOM 0 HG2 GLU A 68 3.979 13.360 -8.733 1.00 0.74 H new ATOM 0 HG3 GLU A 68 5.148 12.367 -7.885 1.00 0.74 H new ATOM 1064 N VAL A 69 5.816 10.420 -6.229 1.00 0.68 N ATOM 1065 CA VAL A 69 6.812 10.958 -5.289 1.00 0.73 C ATOM 1066 C VAL A 69 8.005 11.572 -6.050 1.00 0.84 C ATOM 1067 O VAL A 69 8.763 10.829 -6.684 1.00 0.98 O ATOM 1068 CB VAL A 69 7.305 9.900 -4.262 1.00 0.74 C ATOM 1069 CG1 VAL A 69 8.231 10.546 -3.222 1.00 0.82 C ATOM 1070 CG2 VAL A 69 6.163 9.199 -3.505 1.00 0.84 C ATOM 0 H VAL A 69 6.224 9.958 -7.042 1.00 0.68 H new ATOM 0 HA VAL A 69 6.312 11.741 -4.719 1.00 0.73 H new ATOM 0 HB VAL A 69 7.834 9.151 -4.852 1.00 0.74 H new ATOM 0 HG11 VAL A 69 8.565 9.789 -2.512 1.00 0.82 H new ATOM 0 HG12 VAL A 69 9.096 10.980 -3.724 1.00 0.82 H new ATOM 0 HG13 VAL A 69 7.690 11.329 -2.690 1.00 0.82 H new ATOM 0 HG21 VAL A 69 6.581 8.475 -2.806 1.00 0.84 H new ATOM 0 HG22 VAL A 69 5.582 9.940 -2.956 1.00 0.84 H new ATOM 0 HG23 VAL A 69 5.516 8.685 -4.216 1.00 0.84 H new ATOM 1080 N PRO A 70 8.214 12.906 -5.990 1.00 1.05 N ATOM 1081 CA PRO A 70 9.307 13.597 -6.676 1.00 1.24 C ATOM 1082 C PRO A 70 10.659 13.365 -5.974 1.00 0.97 C ATOM 1083 O PRO A 70 10.670 12.966 -4.811 1.00 0.92 O ATOM 1084 CB PRO A 70 8.907 15.077 -6.661 1.00 1.74 C ATOM 1085 CG PRO A 70 8.126 15.210 -5.358 1.00 1.75 C ATOM 1086 CD PRO A 70 7.398 13.873 -5.263 1.00 1.33 C ATOM 0 HA PRO A 70 9.448 13.225 -7.691 1.00 1.24 H new ATOM 0 HB2 PRO A 70 9.779 15.731 -6.677 1.00 1.74 H new ATOM 0 HB3 PRO A 70 8.297 15.339 -7.525 1.00 1.74 H new ATOM 0 HG2 PRO A 70 8.786 15.373 -4.506 1.00 1.75 H new ATOM 0 HG3 PRO A 70 7.430 16.048 -5.387 1.00 1.75 H new ATOM 0 HD2 PRO A 70 7.274 13.572 -4.223 1.00 1.33 H new ATOM 0 HD3 PRO A 70 6.400 13.943 -5.696 1.00 1.33 H new ATOM 1094 N PRO A 71 11.804 13.617 -6.647 1.00 1.01 N ATOM 1095 CA PRO A 71 13.127 13.376 -6.080 1.00 0.83 C ATOM 1096 C PRO A 71 13.390 14.257 -4.860 1.00 1.09 C ATOM 1097 O PRO A 71 13.061 15.440 -4.854 1.00 1.52 O ATOM 1098 CB PRO A 71 14.128 13.588 -7.217 1.00 1.03 C ATOM 1099 CG PRO A 71 13.396 14.526 -8.172 1.00 1.39 C ATOM 1100 CD PRO A 71 11.935 14.116 -8.008 1.00 1.35 C ATOM 0 HA PRO A 71 13.219 12.360 -5.696 1.00 0.83 H new ATOM 0 HB2 PRO A 71 15.057 14.029 -6.856 1.00 1.03 H new ATOM 0 HB3 PRO A 71 14.389 12.647 -7.701 1.00 1.03 H new ATOM 0 HG2 PRO A 71 13.553 15.572 -7.909 1.00 1.39 H new ATOM 0 HG3 PRO A 71 13.737 14.401 -9.200 1.00 1.39 H new ATOM 0 HD2 PRO A 71 11.271 14.964 -8.177 1.00 1.35 H new ATOM 0 HD3 PRO A 71 11.662 13.348 -8.732 1.00 1.35 H new ATOM 1108 N LYS A 72 13.974 13.639 -3.824 1.00 1.16 N ATOM 1109 CA LYS A 72 14.257 14.181 -2.484 1.00 1.62 C ATOM 1110 C LYS A 72 13.020 14.313 -1.577 1.00 1.86 C ATOM 1111 O LYS A 72 13.160 14.675 -0.410 1.00 2.25 O ATOM 1112 CB LYS A 72 15.013 15.516 -2.557 1.00 1.91 C ATOM 1113 CG LYS A 72 16.206 15.556 -3.522 1.00 1.98 C ATOM 1114 CD LYS A 72 17.226 14.419 -3.358 1.00 1.66 C ATOM 1115 CE LYS A 72 17.689 14.242 -1.904 1.00 3.11 C ATOM 1116 NZ LYS A 72 18.659 13.126 -1.786 1.00 3.51 N ATOM 0 H LYS A 72 14.286 12.671 -3.906 1.00 1.16 H new ATOM 0 HA LYS A 72 14.898 13.434 -2.015 1.00 1.62 H new ATOM 0 HB2 LYS A 72 14.309 16.295 -2.847 1.00 1.91 H new ATOM 0 HB3 LYS A 72 15.370 15.765 -1.558 1.00 1.91 H new ATOM 0 HG2 LYS A 72 15.826 15.536 -4.543 1.00 1.98 H new ATOM 0 HG3 LYS A 72 16.724 16.507 -3.393 1.00 1.98 H new ATOM 0 HD2 LYS A 72 16.784 13.487 -3.710 1.00 1.66 H new ATOM 0 HD3 LYS A 72 18.092 14.620 -3.989 1.00 1.66 H new ATOM 0 HE2 LYS A 72 18.147 15.165 -1.550 1.00 3.11 H new ATOM 0 HE3 LYS A 72 16.827 14.048 -1.265 1.00 3.11 H new ATOM 0 HZ1 LYS A 72 18.542 12.661 -0.863 1.00 3.51 H new ATOM 0 HZ2 LYS A 72 18.489 12.436 -2.545 1.00 3.51 H new ATOM 0 HZ3 LYS A 72 19.627 13.497 -1.867 1.00 3.51 H new ATOM 1130 N GLY A 73 11.833 14.028 -2.109 1.00 1.72 N ATOM 1131 CA GLY A 73 10.576 13.902 -1.364 1.00 1.83 C ATOM 1132 C GLY A 73 10.314 12.461 -0.914 1.00 1.70 C ATOM 1133 O GLY A 73 10.768 11.520 -1.562 1.00 1.68 O ATOM 0 H GLY A 73 11.713 13.872 -3.110 1.00 1.72 H new ATOM 0 HA2 GLY A 73 10.606 14.554 -0.491 1.00 1.83 H new ATOM 0 HA3 GLY A 73 9.750 14.242 -1.988 1.00 1.83 H new ATOM 1137 N ARG A 74 9.524 12.309 0.157 1.00 1.72 N ATOM 1138 CA ARG A 74 9.018 11.024 0.668 1.00 1.57 C ATOM 1139 C ARG A 74 7.531 11.139 1.022 1.00 1.70 C ATOM 1140 O ARG A 74 7.070 12.226 1.370 1.00 2.07 O ATOM 1141 CB ARG A 74 9.859 10.543 1.863 1.00 1.77 C ATOM 1142 CG ARG A 74 9.573 11.206 3.224 1.00 2.04 C ATOM 1143 CD ARG A 74 10.296 10.483 4.341 1.00 2.22 C ATOM 1144 NE ARG A 74 10.062 11.113 5.656 1.00 2.95 N ATOM 1145 CZ ARG A 74 10.125 10.509 6.841 1.00 3.08 C ATOM 1146 NH1 ARG A 74 10.419 9.228 6.955 1.00 2.99 N ATOM 1147 NH2 ARG A 74 9.886 11.192 7.943 1.00 4.20 N ATOM 0 H ARG A 74 9.207 13.104 0.712 1.00 1.72 H new ATOM 0 HA ARG A 74 9.113 10.272 -0.115 1.00 1.57 H new ATOM 0 HB2 ARG A 74 9.713 9.468 1.971 1.00 1.77 H new ATOM 0 HB3 ARG A 74 10.911 10.699 1.623 1.00 1.77 H new ATOM 0 HG2 ARG A 74 9.887 12.249 3.198 1.00 2.04 H new ATOM 0 HG3 ARG A 74 8.500 11.201 3.417 1.00 2.04 H new ATOM 0 HD2 ARG A 74 9.965 9.445 4.373 1.00 2.22 H new ATOM 0 HD3 ARG A 74 11.366 10.471 4.131 1.00 2.22 H new ATOM 0 HE ARG A 74 9.830 12.106 5.657 1.00 2.95 H new ATOM 0 HH11 ARG A 74 10.606 8.671 6.121 1.00 2.99 H new ATOM 0 HH12 ARG A 74 10.460 8.794 7.877 1.00 2.99 H new ATOM 0 HH21 ARG A 74 9.653 12.183 7.888 1.00 4.20 H new ATOM 0 HH22 ARG A 74 9.934 10.729 8.851 1.00 4.20 H new ATOM 1161 N VAL A 75 6.797 10.026 0.974 1.00 1.71 N ATOM 1162 CA VAL A 75 5.349 9.942 1.267 1.00 2.23 C ATOM 1163 C VAL A 75 5.023 8.524 1.734 1.00 1.80 C ATOM 1164 O VAL A 75 5.383 7.563 1.066 1.00 1.73 O ATOM 1165 CB VAL A 75 4.468 10.260 0.026 1.00 3.02 C ATOM 1166 CG1 VAL A 75 2.966 10.162 0.362 1.00 3.67 C ATOM 1167 CG2 VAL A 75 4.718 11.651 -0.583 1.00 3.52 C ATOM 0 H VAL A 75 7.200 9.123 0.723 1.00 1.71 H new ATOM 0 HA VAL A 75 5.128 10.683 2.035 1.00 2.23 H new ATOM 0 HB VAL A 75 4.758 9.508 -0.708 1.00 3.02 H new ATOM 0 HG11 VAL A 75 2.379 10.390 -0.527 1.00 3.67 H new ATOM 0 HG12 VAL A 75 2.734 9.152 0.701 1.00 3.67 H new ATOM 0 HG13 VAL A 75 2.722 10.874 1.150 1.00 3.67 H new ATOM 0 HG21 VAL A 75 4.064 11.794 -1.444 1.00 3.52 H new ATOM 0 HG22 VAL A 75 4.509 12.418 0.163 1.00 3.52 H new ATOM 0 HG23 VAL A 75 5.758 11.728 -0.900 1.00 3.52 H new ATOM 1177 N GLU A 76 4.326 8.355 2.858 1.00 1.66 N ATOM 1178 CA GLU A 76 3.912 7.028 3.328 1.00 1.24 C ATOM 1179 C GLU A 76 2.539 6.618 2.777 1.00 0.97 C ATOM 1180 O GLU A 76 1.577 7.392 2.816 1.00 1.18 O ATOM 1181 CB GLU A 76 3.967 6.865 4.867 1.00 1.40 C ATOM 1182 CG GLU A 76 4.782 7.905 5.658 1.00 1.87 C ATOM 1183 CD GLU A 76 3.941 9.162 5.848 1.00 2.33 C ATOM 1184 OE1 GLU A 76 3.076 9.183 6.752 1.00 3.22 O ATOM 1185 OE2 GLU A 76 4.001 10.068 4.984 1.00 3.06 O ATOM 0 H GLU A 76 4.034 9.122 3.464 1.00 1.66 H new ATOM 0 HA GLU A 76 4.656 6.342 2.922 1.00 1.24 H new ATOM 0 HB2 GLU A 76 2.945 6.879 5.245 1.00 1.40 H new ATOM 0 HB3 GLU A 76 4.374 5.878 5.088 1.00 1.40 H new ATOM 0 HG2 GLU A 76 5.072 7.497 6.626 1.00 1.87 H new ATOM 0 HG3 GLU A 76 5.702 8.146 5.125 1.00 1.87 H new ATOM 1192 N LEU A 77 2.431 5.359 2.334 1.00 0.71 N ATOM 1193 CA LEU A 77 1.167 4.644 2.230 1.00 0.67 C ATOM 1194 C LEU A 77 0.678 4.327 3.657 1.00 1.11 C ATOM 1195 O LEU A 77 0.952 3.264 4.217 1.00 2.26 O ATOM 1196 CB LEU A 77 1.317 3.394 1.335 1.00 0.73 C ATOM 1197 CG LEU A 77 1.516 3.722 -0.162 1.00 0.86 C ATOM 1198 CD1 LEU A 77 2.875 3.253 -0.699 1.00 0.82 C ATOM 1199 CD2 LEU A 77 0.415 3.075 -1.014 1.00 1.21 C ATOM 0 H LEU A 77 3.235 4.807 2.035 1.00 0.71 H new ATOM 0 HA LEU A 77 0.409 5.257 1.741 1.00 0.67 H new ATOM 0 HB2 LEU A 77 2.166 2.807 1.685 1.00 0.73 H new ATOM 0 HB3 LEU A 77 0.430 2.770 1.446 1.00 0.73 H new ATOM 0 HG LEU A 77 1.470 4.809 -0.236 1.00 0.86 H new ATOM 0 HD11 LEU A 77 2.958 3.511 -1.755 1.00 0.82 H new ATOM 0 HD12 LEU A 77 3.675 3.742 -0.143 1.00 0.82 H new ATOM 0 HD13 LEU A 77 2.959 2.173 -0.582 1.00 0.82 H new ATOM 0 HD21 LEU A 77 0.576 3.320 -2.064 1.00 1.21 H new ATOM 0 HD22 LEU A 77 0.444 1.993 -0.885 1.00 1.21 H new ATOM 0 HD23 LEU A 77 -0.558 3.452 -0.699 1.00 1.21 H new ATOM 1211 N LYS A 78 0.005 5.309 4.256 1.00 0.86 N ATOM 1212 CA LYS A 78 -0.547 5.311 5.613 1.00 1.04 C ATOM 1213 C LYS A 78 -2.017 4.829 5.679 1.00 0.91 C ATOM 1214 O LYS A 78 -2.777 5.043 4.736 1.00 0.92 O ATOM 1215 CB LYS A 78 -0.365 6.737 6.179 1.00 1.40 C ATOM 1216 CG LYS A 78 -1.235 7.808 5.483 1.00 1.21 C ATOM 1217 CD LYS A 78 -0.676 9.222 5.694 1.00 1.78 C ATOM 1218 CE LYS A 78 0.526 9.462 4.770 1.00 1.67 C ATOM 1219 NZ LYS A 78 1.377 10.579 5.232 1.00 2.54 N ATOM 0 H LYS A 78 -0.183 6.187 3.772 1.00 0.86 H new ATOM 0 HA LYS A 78 -0.008 4.588 6.226 1.00 1.04 H new ATOM 0 HB2 LYS A 78 -0.602 6.727 7.243 1.00 1.40 H new ATOM 0 HB3 LYS A 78 0.683 7.021 6.089 1.00 1.40 H new ATOM 0 HG2 LYS A 78 -1.290 7.594 4.416 1.00 1.21 H new ATOM 0 HG3 LYS A 78 -2.253 7.758 5.871 1.00 1.21 H new ATOM 0 HD2 LYS A 78 -1.452 9.961 5.493 1.00 1.78 H new ATOM 0 HD3 LYS A 78 -0.376 9.350 6.734 1.00 1.78 H new ATOM 0 HE2 LYS A 78 1.124 8.553 4.713 1.00 1.67 H new ATOM 0 HE3 LYS A 78 0.170 9.673 3.762 1.00 1.67 H new ATOM 0 HZ1 LYS A 78 2.251 10.606 4.669 1.00 2.54 H new ATOM 0 HZ2 LYS A 78 0.864 11.476 5.118 1.00 2.54 H new ATOM 0 HZ3 LYS A 78 1.616 10.442 6.235 1.00 2.54 H new ATOM 1233 N PRO A 79 -2.468 4.213 6.792 1.00 1.27 N ATOM 1234 CA PRO A 79 -3.806 3.625 6.892 1.00 1.60 C ATOM 1235 C PRO A 79 -4.928 4.664 6.796 1.00 1.51 C ATOM 1236 O PRO A 79 -5.911 4.425 6.094 1.00 2.52 O ATOM 1237 CB PRO A 79 -3.827 2.854 8.218 1.00 2.10 C ATOM 1238 CG PRO A 79 -2.764 3.562 9.055 1.00 2.05 C ATOM 1239 CD PRO A 79 -1.719 3.939 8.006 1.00 1.71 C ATOM 0 HA PRO A 79 -3.998 2.962 6.049 1.00 1.60 H new ATOM 0 HB2 PRO A 79 -4.807 2.898 8.693 1.00 2.10 H new ATOM 0 HB3 PRO A 79 -3.589 1.800 8.074 1.00 2.10 H new ATOM 0 HG2 PRO A 79 -3.165 4.439 9.563 1.00 2.05 H new ATOM 0 HG3 PRO A 79 -2.351 2.909 9.824 1.00 2.05 H new ATOM 0 HD2 PRO A 79 -1.146 4.812 8.319 1.00 1.71 H new ATOM 0 HD3 PRO A 79 -1.007 3.128 7.853 1.00 1.71 H new ATOM 1247 N GLY A 80 -4.749 5.839 7.416 1.00 0.94 N ATOM 1248 CA GLY A 80 -5.631 7.005 7.269 1.00 1.21 C ATOM 1249 C GLY A 80 -5.382 7.768 5.964 1.00 1.37 C ATOM 1250 O GLY A 80 -5.247 8.987 5.982 1.00 2.33 O ATOM 0 H GLY A 80 -3.968 6.009 8.049 1.00 0.94 H new ATOM 0 HA2 GLY A 80 -6.670 6.677 7.302 1.00 1.21 H new ATOM 0 HA3 GLY A 80 -5.482 7.678 8.114 1.00 1.21 H new ATOM 1254 N GLY A 81 -5.269 7.035 4.856 1.00 0.80 N ATOM 1255 CA GLY A 81 -5.074 7.541 3.497 1.00 0.80 C ATOM 1256 C GLY A 81 -4.581 6.449 2.556 1.00 0.80 C ATOM 1257 O GLY A 81 -5.212 5.397 2.459 1.00 1.48 O ATOM 0 H GLY A 81 -5.314 6.016 4.884 1.00 0.80 H new ATOM 0 HA2 GLY A 81 -6.013 7.948 3.122 1.00 0.80 H new ATOM 0 HA3 GLY A 81 -4.355 8.360 3.513 1.00 0.80 H new ATOM 1261 N TYR A 82 -3.504 6.687 1.807 1.00 0.91 N ATOM 1262 CA TYR A 82 -3.156 5.812 0.683 1.00 0.85 C ATOM 1263 C TYR A 82 -2.589 4.464 1.122 1.00 0.90 C ATOM 1264 O TYR A 82 -1.796 4.364 2.051 1.00 1.02 O ATOM 1265 CB TYR A 82 -2.166 6.498 -0.254 1.00 0.88 C ATOM 1266 CG TYR A 82 -2.720 7.735 -0.926 1.00 0.84 C ATOM 1267 CD1 TYR A 82 -3.755 7.585 -1.861 1.00 1.60 C ATOM 1268 CD2 TYR A 82 -2.212 9.016 -0.634 1.00 2.00 C ATOM 1269 CE1 TYR A 82 -4.284 8.710 -2.512 1.00 1.63 C ATOM 1270 CE2 TYR A 82 -2.740 10.148 -1.287 1.00 1.98 C ATOM 1271 CZ TYR A 82 -3.781 9.999 -2.234 1.00 0.83 C ATOM 1272 OH TYR A 82 -4.299 11.080 -2.880 1.00 0.87 O ATOM 0 H TYR A 82 -2.864 7.467 1.954 1.00 0.91 H new ATOM 0 HA TYR A 82 -4.091 5.617 0.158 1.00 0.85 H new ATOM 0 HB2 TYR A 82 -1.274 6.771 0.311 1.00 0.88 H new ATOM 0 HB3 TYR A 82 -1.853 5.789 -1.020 1.00 0.88 H new ATOM 0 HD1 TYR A 82 -4.145 6.602 -2.080 1.00 1.60 H new ATOM 0 HD2 TYR A 82 -1.419 9.131 0.090 1.00 2.00 H new ATOM 0 HE1 TYR A 82 -5.081 8.589 -3.230 1.00 1.63 H new ATOM 0 HE2 TYR A 82 -2.350 11.130 -1.064 1.00 1.98 H new ATOM 0 HH TYR A 82 -3.844 11.893 -2.574 1.00 0.87 H new ATOM 1282 N HIS A 83 -3.014 3.405 0.450 1.00 0.80 N ATOM 1283 CA HIS A 83 -2.623 2.021 0.742 1.00 0.80 C ATOM 1284 C HIS A 83 -2.895 1.095 -0.453 1.00 0.68 C ATOM 1285 O HIS A 83 -3.739 1.404 -1.289 1.00 0.75 O ATOM 1286 CB HIS A 83 -3.327 1.549 2.022 1.00 0.93 C ATOM 1287 CG HIS A 83 -4.826 1.499 1.908 1.00 0.92 C ATOM 1288 ND1 HIS A 83 -5.688 2.575 1.946 1.00 0.92 N ATOM 1289 CD2 HIS A 83 -5.570 0.387 1.613 1.00 0.92 C ATOM 1290 CE1 HIS A 83 -6.912 2.137 1.618 1.00 0.89 C ATOM 1291 NE2 HIS A 83 -6.882 0.809 1.412 1.00 0.90 N ATOM 0 H HIS A 83 -3.659 3.479 -0.337 1.00 0.80 H new ATOM 0 HA HIS A 83 -1.547 1.982 0.913 1.00 0.80 H new ATOM 0 HB2 HIS A 83 -2.959 0.557 2.283 1.00 0.93 H new ATOM 0 HB3 HIS A 83 -3.056 2.215 2.841 1.00 0.93 H new ATOM 0 HD1 HIS A 83 -5.438 3.535 2.182 1.00 0.92 H new ATOM 0 HD2 HIS A 83 -5.207 -0.628 1.548 1.00 0.92 H new ATOM 0 HE1 HIS A 83 -7.791 2.759 1.532 1.00 0.89 H new ATOM 1299 N PHE A 84 -2.269 -0.081 -0.497 1.00 0.53 N ATOM 1300 CA PHE A 84 -2.698 -1.143 -1.410 1.00 0.51 C ATOM 1301 C PHE A 84 -3.811 -1.986 -0.783 1.00 0.61 C ATOM 1302 O PHE A 84 -3.836 -2.181 0.433 1.00 0.90 O ATOM 1303 CB PHE A 84 -1.509 -2.023 -1.814 1.00 0.46 C ATOM 1304 CG PHE A 84 -0.495 -1.316 -2.680 1.00 0.43 C ATOM 1305 CD1 PHE A 84 0.560 -0.596 -2.087 1.00 1.70 C ATOM 1306 CD2 PHE A 84 -0.617 -1.361 -4.081 1.00 1.64 C ATOM 1307 CE1 PHE A 84 1.495 0.069 -2.894 1.00 1.71 C ATOM 1308 CE2 PHE A 84 0.320 -0.699 -4.888 1.00 1.67 C ATOM 1309 CZ PHE A 84 1.374 0.012 -4.293 1.00 0.59 C ATOM 0 H PHE A 84 -1.467 -0.323 0.085 1.00 0.53 H new ATOM 0 HA PHE A 84 -3.097 -0.676 -2.310 1.00 0.51 H new ATOM 0 HB2 PHE A 84 -1.014 -2.385 -0.913 1.00 0.46 H new ATOM 0 HB3 PHE A 84 -1.881 -2.898 -2.347 1.00 0.46 H new ATOM 0 HD1 PHE A 84 0.649 -0.556 -1.011 1.00 1.70 H new ATOM 0 HD2 PHE A 84 -1.432 -1.905 -4.535 1.00 1.64 H new ATOM 0 HE1 PHE A 84 2.305 0.623 -2.442 1.00 1.71 H new ATOM 0 HE2 PHE A 84 0.231 -0.736 -5.964 1.00 1.67 H new ATOM 0 HZ PHE A 84 2.097 0.519 -4.915 1.00 0.59 H new ATOM 1319 N MET A 85 -4.682 -2.548 -1.624 1.00 0.43 N ATOM 1320 CA MET A 85 -5.590 -3.653 -1.295 1.00 0.44 C ATOM 1321 C MET A 85 -5.066 -4.929 -1.950 1.00 0.43 C ATOM 1322 O MET A 85 -4.815 -4.939 -3.152 1.00 0.48 O ATOM 1323 CB MET A 85 -7.014 -3.356 -1.772 1.00 0.47 C ATOM 1324 CG MET A 85 -8.028 -3.827 -0.719 1.00 0.73 C ATOM 1325 SD MET A 85 -8.015 -2.831 0.807 1.00 1.11 S ATOM 1326 CE MET A 85 -9.004 -3.908 1.884 1.00 0.76 C ATOM 0 H MET A 85 -4.779 -2.235 -2.590 1.00 0.43 H new ATOM 0 HA MET A 85 -5.626 -3.778 -0.213 1.00 0.44 H new ATOM 0 HB2 MET A 85 -7.132 -2.287 -1.950 1.00 0.47 H new ATOM 0 HB3 MET A 85 -7.201 -3.859 -2.720 1.00 0.47 H new ATOM 0 HG2 MET A 85 -9.028 -3.799 -1.152 1.00 0.73 H new ATOM 0 HG3 MET A 85 -7.819 -4.866 -0.466 1.00 0.73 H new ATOM 0 HE1 MET A 85 -9.099 -3.450 2.868 1.00 0.76 H new ATOM 0 HE2 MET A 85 -9.995 -4.045 1.451 1.00 0.76 H new ATOM 0 HE3 MET A 85 -8.513 -4.876 1.980 1.00 0.76 H new ATOM 1336 N LEU A 86 -4.874 -5.994 -1.174 1.00 0.46 N ATOM 1337 CA LEU A 86 -4.286 -7.257 -1.622 1.00 0.48 C ATOM 1338 C LEU A 86 -5.380 -8.330 -1.642 1.00 0.51 C ATOM 1339 O LEU A 86 -5.975 -8.633 -0.612 1.00 0.58 O ATOM 1340 CB LEU A 86 -3.146 -7.641 -0.661 1.00 0.56 C ATOM 1341 CG LEU A 86 -1.766 -7.008 -0.945 1.00 0.62 C ATOM 1342 CD1 LEU A 86 -1.756 -5.478 -0.847 1.00 1.16 C ATOM 1343 CD2 LEU A 86 -0.756 -7.571 0.063 1.00 1.18 C ATOM 0 H LEU A 86 -5.131 -6.003 -0.187 1.00 0.46 H new ATOM 0 HA LEU A 86 -3.875 -7.162 -2.627 1.00 0.48 H new ATOM 0 HB2 LEU A 86 -3.445 -7.368 0.351 1.00 0.56 H new ATOM 0 HB3 LEU A 86 -3.035 -8.725 -0.679 1.00 0.56 H new ATOM 0 HG LEU A 86 -1.506 -7.259 -1.973 1.00 0.62 H new ATOM 0 HD11 LEU A 86 -0.753 -5.106 -1.059 1.00 1.16 H new ATOM 0 HD12 LEU A 86 -2.458 -5.062 -1.570 1.00 1.16 H new ATOM 0 HD13 LEU A 86 -2.050 -5.176 0.158 1.00 1.16 H new ATOM 0 HD21 LEU A 86 0.225 -7.135 -0.123 1.00 1.18 H new ATOM 0 HD22 LEU A 86 -1.077 -7.325 1.075 1.00 1.18 H new ATOM 0 HD23 LEU A 86 -0.698 -8.654 -0.046 1.00 1.18 H new ATOM 1355 N LEU A 87 -5.663 -8.887 -2.815 1.00 0.54 N ATOM 1356 CA LEU A 87 -6.793 -9.776 -3.085 1.00 0.56 C ATOM 1357 C LEU A 87 -6.337 -11.172 -3.556 1.00 0.54 C ATOM 1358 O LEU A 87 -5.230 -11.393 -4.053 1.00 0.71 O ATOM 1359 CB LEU A 87 -7.725 -9.107 -4.120 1.00 0.70 C ATOM 1360 CG LEU A 87 -8.708 -8.046 -3.586 1.00 0.94 C ATOM 1361 CD1 LEU A 87 -8.051 -6.715 -3.187 1.00 1.97 C ATOM 1362 CD2 LEU A 87 -9.771 -7.768 -4.655 1.00 1.83 C ATOM 0 H LEU A 87 -5.087 -8.725 -3.641 1.00 0.54 H new ATOM 0 HA LEU A 87 -7.340 -9.935 -2.155 1.00 0.56 H new ATOM 0 HB2 LEU A 87 -7.104 -8.641 -4.885 1.00 0.70 H new ATOM 0 HB3 LEU A 87 -8.303 -9.889 -4.612 1.00 0.70 H new ATOM 0 HG LEU A 87 -9.139 -8.463 -2.676 1.00 0.94 H new ATOM 0 HD11 LEU A 87 -8.814 -6.027 -2.823 1.00 1.97 H new ATOM 0 HD12 LEU A 87 -7.318 -6.893 -2.400 1.00 1.97 H new ATOM 0 HD13 LEU A 87 -7.555 -6.280 -4.054 1.00 1.97 H new ATOM 0 HD21 LEU A 87 -10.471 -7.018 -4.286 1.00 1.83 H new ATOM 0 HD22 LEU A 87 -9.289 -7.399 -5.560 1.00 1.83 H new ATOM 0 HD23 LEU A 87 -10.310 -8.688 -4.880 1.00 1.83 H new ATOM 1374 N GLY A 88 -7.208 -12.149 -3.329 1.00 0.54 N ATOM 1375 CA GLY A 88 -7.058 -13.577 -3.619 1.00 0.61 C ATOM 1376 C GLY A 88 -6.373 -14.328 -2.477 1.00 0.97 C ATOM 1377 O GLY A 88 -6.826 -15.395 -2.080 1.00 2.44 O ATOM 0 H GLY A 88 -8.113 -11.950 -2.902 1.00 0.54 H new ATOM 0 HA2 GLY A 88 -8.040 -14.014 -3.802 1.00 0.61 H new ATOM 0 HA3 GLY A 88 -6.478 -13.702 -4.533 1.00 0.61 H new ATOM 1381 N LEU A 89 -5.310 -13.710 -1.951 1.00 0.57 N ATOM 1382 CA LEU A 89 -4.304 -14.217 -1.030 1.00 0.48 C ATOM 1383 C LEU A 89 -3.693 -15.581 -1.388 1.00 0.62 C ATOM 1384 O LEU A 89 -4.107 -16.297 -2.295 1.00 1.13 O ATOM 1385 CB LEU A 89 -4.804 -14.165 0.411 1.00 0.51 C ATOM 1386 CG LEU A 89 -5.447 -12.844 0.886 1.00 0.52 C ATOM 1387 CD1 LEU A 89 -5.692 -12.940 2.396 1.00 0.75 C ATOM 1388 CD2 LEU A 89 -4.578 -11.609 0.592 1.00 0.46 C ATOM 0 H LEU A 89 -5.119 -12.737 -2.191 1.00 0.57 H new ATOM 0 HA LEU A 89 -3.462 -13.533 -1.136 1.00 0.48 H new ATOM 0 HB2 LEU A 89 -5.534 -14.963 0.545 1.00 0.51 H new ATOM 0 HB3 LEU A 89 -3.964 -14.388 1.069 1.00 0.51 H new ATOM 0 HG LEU A 89 -6.378 -12.713 0.335 1.00 0.52 H new ATOM 0 HD11 LEU A 89 -6.146 -12.015 2.750 1.00 0.75 H new ATOM 0 HD12 LEU A 89 -6.361 -13.775 2.604 1.00 0.75 H new ATOM 0 HD13 LEU A 89 -4.743 -13.098 2.909 1.00 0.75 H new ATOM 0 HD21 LEU A 89 -5.086 -10.713 0.950 1.00 0.46 H new ATOM 0 HD22 LEU A 89 -3.619 -11.710 1.100 1.00 0.46 H new ATOM 0 HD23 LEU A 89 -4.413 -11.528 -0.482 1.00 0.46 H new ATOM 1400 N LYS A 90 -2.607 -15.893 -0.685 1.00 0.54 N ATOM 1401 CA LYS A 90 -1.832 -17.131 -0.825 1.00 0.62 C ATOM 1402 C LYS A 90 -1.444 -17.779 0.523 1.00 0.69 C ATOM 1403 O LYS A 90 -1.169 -18.974 0.599 1.00 0.80 O ATOM 1404 CB LYS A 90 -0.609 -16.792 -1.633 1.00 0.73 C ATOM 1405 CG LYS A 90 -1.020 -16.349 -3.046 1.00 0.62 C ATOM 1406 CD LYS A 90 0.233 -15.834 -3.695 1.00 2.54 C ATOM 1407 CE LYS A 90 0.044 -15.411 -5.154 1.00 2.45 C ATOM 1408 NZ LYS A 90 -0.397 -16.531 -6.017 1.00 2.75 N ATOM 0 H LYS A 90 -2.225 -15.269 0.026 1.00 0.54 H new ATOM 0 HA LYS A 90 -2.449 -17.880 -1.321 1.00 0.62 H new ATOM 0 HB2 LYS A 90 -0.048 -15.997 -1.142 1.00 0.73 H new ATOM 0 HB3 LYS A 90 0.050 -17.658 -1.692 1.00 0.73 H new ATOM 0 HG2 LYS A 90 -1.439 -17.182 -3.611 1.00 0.62 H new ATOM 0 HG3 LYS A 90 -1.786 -15.575 -3.006 1.00 0.62 H new ATOM 0 HD2 LYS A 90 0.603 -14.982 -3.124 1.00 2.54 H new ATOM 0 HD3 LYS A 90 1.000 -16.607 -3.647 1.00 2.54 H new ATOM 0 HE2 LYS A 90 -0.691 -14.607 -5.204 1.00 2.45 H new ATOM 0 HE3 LYS A 90 0.982 -15.009 -5.537 1.00 2.45 H new ATOM 0 HZ1 LYS A 90 -0.429 -16.215 -7.007 1.00 2.75 H new ATOM 0 HZ2 LYS A 90 0.272 -17.322 -5.928 1.00 2.75 H new ATOM 0 HZ3 LYS A 90 -1.344 -16.844 -5.723 1.00 2.75 H new ATOM 1422 N ARG A 91 -1.449 -16.975 1.589 1.00 0.71 N ATOM 1423 CA ARG A 91 -1.505 -17.373 2.995 1.00 0.84 C ATOM 1424 C ARG A 91 -2.744 -16.704 3.620 1.00 0.88 C ATOM 1425 O ARG A 91 -3.060 -15.588 3.206 1.00 0.93 O ATOM 1426 CB ARG A 91 -0.259 -16.849 3.729 1.00 1.14 C ATOM 1427 CG ARG A 91 1.027 -17.600 3.355 1.00 1.31 C ATOM 1428 CD ARG A 91 2.263 -16.966 4.009 1.00 2.21 C ATOM 1429 NE ARG A 91 2.356 -17.210 5.461 1.00 3.03 N ATOM 1430 CZ ARG A 91 3.039 -18.156 6.091 1.00 3.90 C ATOM 1431 NH1 ARG A 91 3.616 -19.162 5.462 1.00 4.26 N ATOM 1432 NH2 ARG A 91 3.158 -18.069 7.396 1.00 5.01 N ATOM 0 H ARG A 91 -1.411 -15.961 1.484 1.00 0.71 H new ATOM 0 HA ARG A 91 -1.551 -18.459 3.077 1.00 0.84 H new ATOM 0 HB2 ARG A 91 -0.132 -15.790 3.504 1.00 1.14 H new ATOM 0 HB3 ARG A 91 -0.419 -16.929 4.804 1.00 1.14 H new ATOM 0 HG2 ARG A 91 0.944 -18.641 3.666 1.00 1.31 H new ATOM 0 HG3 ARG A 91 1.147 -17.599 2.272 1.00 1.31 H new ATOM 0 HD2 ARG A 91 3.159 -17.356 3.526 1.00 2.21 H new ATOM 0 HD3 ARG A 91 2.247 -15.891 3.830 1.00 2.21 H new ATOM 0 HE ARG A 91 1.828 -16.570 6.055 1.00 3.03 H new ATOM 0 HH11 ARG A 91 3.547 -19.236 4.447 1.00 4.26 H new ATOM 0 HH12 ARG A 91 4.131 -19.866 5.991 1.00 4.26 H new ATOM 0 HH21 ARG A 91 2.731 -17.289 7.896 1.00 5.01 H new ATOM 0 HH22 ARG A 91 3.677 -18.781 7.909 1.00 5.01 H new ATOM 1446 N PRO A 92 -3.392 -17.304 4.635 1.00 1.02 N ATOM 1447 CA PRO A 92 -4.144 -16.526 5.601 1.00 1.17 C ATOM 1448 C PRO A 92 -3.112 -15.715 6.395 1.00 1.24 C ATOM 1449 O PRO A 92 -2.282 -16.289 7.104 1.00 1.49 O ATOM 1450 CB PRO A 92 -4.900 -17.554 6.447 1.00 1.32 C ATOM 1451 CG PRO A 92 -4.009 -18.799 6.398 1.00 1.30 C ATOM 1452 CD PRO A 92 -3.293 -18.697 5.048 1.00 1.09 C ATOM 0 HA PRO A 92 -4.865 -15.824 5.183 1.00 1.17 H new ATOM 0 HB2 PRO A 92 -5.041 -17.204 7.470 1.00 1.32 H new ATOM 0 HB3 PRO A 92 -5.891 -17.756 6.040 1.00 1.32 H new ATOM 0 HG2 PRO A 92 -3.299 -18.813 7.225 1.00 1.30 H new ATOM 0 HG3 PRO A 92 -4.598 -19.713 6.468 1.00 1.30 H new ATOM 0 HD2 PRO A 92 -2.251 -19.003 5.137 1.00 1.09 H new ATOM 0 HD3 PRO A 92 -3.756 -19.354 4.312 1.00 1.09 H new ATOM 1460 N LEU A 93 -3.119 -14.389 6.230 1.00 1.30 N ATOM 1461 CA LEU A 93 -2.191 -13.503 6.922 1.00 1.40 C ATOM 1462 C LEU A 93 -2.584 -13.421 8.391 1.00 1.47 C ATOM 1463 O LEU A 93 -3.560 -12.759 8.747 1.00 1.87 O ATOM 1464 CB LEU A 93 -2.168 -12.082 6.303 1.00 1.72 C ATOM 1465 CG LEU A 93 -1.306 -11.826 5.045 1.00 1.25 C ATOM 1466 CD1 LEU A 93 0.058 -12.529 5.087 1.00 2.08 C ATOM 1467 CD2 LEU A 93 -2.052 -12.184 3.756 1.00 1.41 C ATOM 0 H LEU A 93 -3.770 -13.904 5.612 1.00 1.30 H new ATOM 0 HA LEU A 93 -1.188 -13.917 6.819 1.00 1.40 H new ATOM 0 HB2 LEU A 93 -3.196 -11.813 6.058 1.00 1.72 H new ATOM 0 HB3 LEU A 93 -1.834 -11.391 7.077 1.00 1.72 H new ATOM 0 HG LEU A 93 -1.111 -10.754 5.046 1.00 1.25 H new ATOM 0 HD11 LEU A 93 0.610 -12.307 4.174 1.00 2.08 H new ATOM 0 HD12 LEU A 93 0.624 -12.174 5.949 1.00 2.08 H new ATOM 0 HD13 LEU A 93 -0.090 -13.606 5.168 1.00 2.08 H new ATOM 0 HD21 LEU A 93 -1.409 -11.989 2.897 1.00 1.41 H new ATOM 0 HD22 LEU A 93 -2.323 -13.240 3.774 1.00 1.41 H new ATOM 0 HD23 LEU A 93 -2.955 -11.579 3.678 1.00 1.41 H new ATOM 1479 N LYS A 94 -1.782 -14.040 9.259 1.00 1.43 N ATOM 1480 CA LYS A 94 -1.750 -13.683 10.669 1.00 1.37 C ATOM 1481 C LYS A 94 -1.227 -12.253 10.892 1.00 1.61 C ATOM 1482 O LYS A 94 -0.688 -11.604 10.001 1.00 2.31 O ATOM 1483 CB LYS A 94 -0.835 -14.649 11.433 1.00 1.46 C ATOM 1484 CG LYS A 94 -0.839 -16.130 11.045 1.00 1.56 C ATOM 1485 CD LYS A 94 -0.162 -16.972 12.139 1.00 1.93 C ATOM 1486 CE LYS A 94 1.381 -16.962 12.275 1.00 3.00 C ATOM 1487 NZ LYS A 94 2.021 -15.622 12.264 1.00 4.08 N ATOM 0 H LYS A 94 -1.145 -14.794 9.003 1.00 1.43 H new ATOM 0 HA LYS A 94 -2.775 -13.744 11.035 1.00 1.37 H new ATOM 0 HB2 LYS A 94 0.187 -14.284 11.333 1.00 1.46 H new ATOM 0 HB3 LYS A 94 -1.095 -14.584 12.490 1.00 1.46 H new ATOM 0 HG2 LYS A 94 -1.864 -16.471 10.897 1.00 1.56 H new ATOM 0 HG3 LYS A 94 -0.317 -16.266 10.098 1.00 1.56 H new ATOM 0 HD2 LYS A 94 -0.575 -16.653 13.096 1.00 1.93 H new ATOM 0 HD3 LYS A 94 -0.468 -18.007 11.989 1.00 1.93 H new ATOM 0 HE2 LYS A 94 1.648 -17.464 13.205 1.00 3.00 H new ATOM 0 HE3 LYS A 94 1.803 -17.552 11.461 1.00 3.00 H new ATOM 0 HZ1 LYS A 94 2.832 -15.619 12.915 1.00 4.08 H new ATOM 0 HZ2 LYS A 94 2.348 -15.402 11.302 1.00 4.08 H new ATOM 0 HZ3 LYS A 94 1.331 -14.905 12.568 1.00 4.08 H new ATOM 1501 N ALA A 95 -1.285 -11.832 12.148 1.00 1.43 N ATOM 1502 CA ALA A 95 -0.347 -10.890 12.727 1.00 1.40 C ATOM 1503 C ALA A 95 0.930 -11.657 13.128 1.00 1.39 C ATOM 1504 O ALA A 95 0.922 -12.894 13.224 1.00 1.62 O ATOM 1505 CB ALA A 95 -1.091 -10.260 13.910 1.00 1.51 C ATOM 0 H ALA A 95 -2.001 -12.144 12.803 1.00 1.43 H new ATOM 0 HA ALA A 95 -0.021 -10.101 12.049 1.00 1.40 H new ATOM 0 HB1 ALA A 95 -0.444 -9.533 14.401 1.00 1.51 H new ATOM 0 HB2 ALA A 95 -1.990 -9.760 13.550 1.00 1.51 H new ATOM 0 HB3 ALA A 95 -1.368 -11.038 14.621 1.00 1.51 H new ATOM 1511 N GLY A 96 2.048 -10.953 13.287 1.00 1.31 N ATOM 1512 CA GLY A 96 3.358 -11.576 13.505 1.00 1.39 C ATOM 1513 C GLY A 96 3.774 -12.490 12.346 1.00 1.51 C ATOM 1514 O GLY A 96 4.114 -13.654 12.568 1.00 2.18 O ATOM 0 H GLY A 96 2.075 -9.934 13.269 1.00 1.31 H new ATOM 0 HA2 GLY A 96 4.109 -10.798 13.637 1.00 1.39 H new ATOM 0 HA3 GLY A 96 3.332 -12.154 14.428 1.00 1.39 H new ATOM 1518 N GLU A 97 3.684 -11.985 11.115 1.00 1.21 N ATOM 1519 CA GLU A 97 4.345 -12.543 9.924 1.00 1.18 C ATOM 1520 C GLU A 97 5.279 -11.467 9.334 1.00 0.97 C ATOM 1521 O GLU A 97 5.306 -10.330 9.819 1.00 0.85 O ATOM 1522 CB GLU A 97 3.331 -12.970 8.839 1.00 1.23 C ATOM 1523 CG GLU A 97 2.149 -13.838 9.271 1.00 1.68 C ATOM 1524 CD GLU A 97 2.300 -15.282 8.814 1.00 1.27 C ATOM 1525 OE1 GLU A 97 1.937 -15.586 7.661 1.00 2.25 O ATOM 1526 OE2 GLU A 97 2.725 -16.125 9.634 1.00 2.04 O ATOM 0 H GLU A 97 3.134 -11.151 10.908 1.00 1.21 H new ATOM 0 HA GLU A 97 4.899 -13.431 10.230 1.00 1.18 H new ATOM 0 HB2 GLU A 97 2.932 -12.066 8.379 1.00 1.23 H new ATOM 0 HB3 GLU A 97 3.876 -13.508 8.064 1.00 1.23 H new ATOM 0 HG2 GLU A 97 2.057 -13.810 10.357 1.00 1.68 H new ATOM 0 HG3 GLU A 97 1.227 -13.424 8.862 1.00 1.68 H new ATOM 1533 N GLU A 98 5.969 -11.777 8.236 1.00 0.99 N ATOM 1534 CA GLU A 98 6.718 -10.856 7.411 1.00 0.88 C ATOM 1535 C GLU A 98 6.650 -11.373 5.973 1.00 0.85 C ATOM 1536 O GLU A 98 6.399 -12.551 5.721 1.00 1.05 O ATOM 1537 CB GLU A 98 8.149 -10.636 7.926 1.00 1.10 C ATOM 1538 CG GLU A 98 9.067 -11.865 7.875 1.00 1.90 C ATOM 1539 CD GLU A 98 10.430 -11.570 8.507 1.00 2.25 C ATOM 1540 OE1 GLU A 98 10.822 -10.382 8.511 1.00 2.57 O ATOM 1541 OE2 GLU A 98 11.052 -12.531 9.013 1.00 3.42 O ATOM 0 H GLU A 98 6.017 -12.734 7.887 1.00 0.99 H new ATOM 0 HA GLU A 98 6.277 -9.860 7.452 1.00 0.88 H new ATOM 0 HB2 GLU A 98 8.607 -9.838 7.343 1.00 1.10 H new ATOM 0 HB3 GLU A 98 8.096 -10.287 8.957 1.00 1.10 H new ATOM 0 HG2 GLU A 98 8.594 -12.696 8.398 1.00 1.90 H new ATOM 0 HG3 GLU A 98 9.204 -12.176 6.839 1.00 1.90 H new ATOM 1548 N VAL A 99 6.738 -10.430 5.054 1.00 0.75 N ATOM 1549 CA VAL A 99 6.328 -10.499 3.645 1.00 0.75 C ATOM 1550 C VAL A 99 7.148 -9.502 2.830 1.00 0.74 C ATOM 1551 O VAL A 99 7.436 -8.394 3.273 1.00 0.83 O ATOM 1552 CB VAL A 99 4.825 -10.158 3.503 1.00 0.88 C ATOM 1553 CG1 VAL A 99 4.357 -9.945 2.055 1.00 1.23 C ATOM 1554 CG2 VAL A 99 3.935 -11.241 4.134 1.00 1.02 C ATOM 0 H VAL A 99 7.129 -9.516 5.283 1.00 0.75 H new ATOM 0 HA VAL A 99 6.498 -11.511 3.278 1.00 0.75 H new ATOM 0 HB VAL A 99 4.720 -9.211 4.033 1.00 0.88 H new ATOM 0 HG11 VAL A 99 3.293 -9.711 2.047 1.00 1.23 H new ATOM 0 HG12 VAL A 99 4.913 -9.120 1.610 1.00 1.23 H new ATOM 0 HG13 VAL A 99 4.533 -10.853 1.479 1.00 1.23 H new ATOM 0 HG21 VAL A 99 2.887 -10.966 4.014 1.00 1.02 H new ATOM 0 HG22 VAL A 99 4.118 -12.196 3.641 1.00 1.02 H new ATOM 0 HG23 VAL A 99 4.168 -11.330 5.195 1.00 1.02 H new ATOM 1564 N GLU A 100 7.458 -9.874 1.597 1.00 0.74 N ATOM 1565 CA GLU A 100 8.084 -8.980 0.622 1.00 0.74 C ATOM 1566 C GLU A 100 7.058 -8.436 -0.376 1.00 0.72 C ATOM 1567 O GLU A 100 6.036 -9.067 -0.641 1.00 0.71 O ATOM 1568 CB GLU A 100 9.253 -9.664 -0.098 1.00 0.91 C ATOM 1569 CG GLU A 100 10.420 -9.958 0.858 1.00 2.47 C ATOM 1570 CD GLU A 100 11.745 -9.981 0.102 1.00 3.17 C ATOM 1571 OE1 GLU A 100 11.936 -10.880 -0.746 1.00 2.89 O ATOM 1572 OE2 GLU A 100 12.550 -9.032 0.245 1.00 4.69 O ATOM 0 H GLU A 100 7.282 -10.812 1.238 1.00 0.74 H new ATOM 0 HA GLU A 100 8.490 -8.131 1.172 1.00 0.74 H new ATOM 0 HB2 GLU A 100 8.908 -10.595 -0.547 1.00 0.91 H new ATOM 0 HB3 GLU A 100 9.601 -9.027 -0.911 1.00 0.91 H new ATOM 0 HG2 GLU A 100 10.455 -9.200 1.640 1.00 2.47 H new ATOM 0 HG3 GLU A 100 10.260 -10.917 1.351 1.00 2.47 H new ATOM 1579 N LEU A 101 7.346 -7.268 -0.947 1.00 0.79 N ATOM 1580 CA LEU A 101 6.510 -6.568 -1.924 1.00 0.66 C ATOM 1581 C LEU A 101 7.381 -5.955 -3.025 1.00 0.54 C ATOM 1582 O LEU A 101 8.387 -5.299 -2.749 1.00 0.60 O ATOM 1583 CB LEU A 101 5.665 -5.486 -1.204 1.00 0.75 C ATOM 1584 CG LEU A 101 4.231 -5.953 -0.875 1.00 1.04 C ATOM 1585 CD1 LEU A 101 3.685 -5.269 0.379 1.00 1.74 C ATOM 1586 CD2 LEU A 101 3.269 -5.638 -2.030 1.00 2.05 C ATOM 0 H LEU A 101 8.205 -6.761 -0.733 1.00 0.79 H new ATOM 0 HA LEU A 101 5.830 -7.277 -2.396 1.00 0.66 H new ATOM 0 HB2 LEU A 101 6.167 -5.197 -0.281 1.00 0.75 H new ATOM 0 HB3 LEU A 101 5.615 -4.596 -1.831 1.00 0.75 H new ATOM 0 HG LEU A 101 4.292 -7.029 -0.711 1.00 1.04 H new ATOM 0 HD11 LEU A 101 2.674 -5.625 0.576 1.00 1.74 H new ATOM 0 HD12 LEU A 101 4.325 -5.504 1.230 1.00 1.74 H new ATOM 0 HD13 LEU A 101 3.667 -4.190 0.226 1.00 1.74 H new ATOM 0 HD21 LEU A 101 2.266 -5.978 -1.771 1.00 2.05 H new ATOM 0 HD22 LEU A 101 3.253 -4.563 -2.207 1.00 2.05 H new ATOM 0 HD23 LEU A 101 3.604 -6.150 -2.932 1.00 2.05 H new ATOM 1598 N ASP A 102 6.950 -6.150 -4.265 1.00 0.55 N ATOM 1599 CA ASP A 102 7.402 -5.454 -5.465 1.00 0.50 C ATOM 1600 C ASP A 102 6.637 -4.130 -5.587 1.00 0.49 C ATOM 1601 O ASP A 102 5.408 -4.129 -5.513 1.00 0.68 O ATOM 1602 CB ASP A 102 7.080 -6.311 -6.702 1.00 0.59 C ATOM 1603 CG ASP A 102 7.669 -7.721 -6.648 1.00 0.94 C ATOM 1604 OD1 ASP A 102 8.915 -7.821 -6.629 1.00 1.66 O ATOM 1605 OD2 ASP A 102 6.866 -8.685 -6.648 1.00 1.98 O ATOM 0 H ASP A 102 6.230 -6.842 -4.473 1.00 0.55 H new ATOM 0 HA ASP A 102 8.475 -5.274 -5.401 1.00 0.50 H new ATOM 0 HB2 ASP A 102 5.998 -6.384 -6.810 1.00 0.59 H new ATOM 0 HB3 ASP A 102 7.456 -5.804 -7.591 1.00 0.59 H new ATOM 1610 N LEU A 103 7.331 -3.016 -5.821 1.00 0.47 N ATOM 1611 CA LEU A 103 6.743 -1.710 -6.117 1.00 0.45 C ATOM 1612 C LEU A 103 7.015 -1.344 -7.579 1.00 0.46 C ATOM 1613 O LEU A 103 8.156 -1.068 -7.952 1.00 0.68 O ATOM 1614 CB LEU A 103 7.343 -0.647 -5.181 1.00 0.52 C ATOM 1615 CG LEU A 103 6.854 -0.722 -3.721 1.00 0.63 C ATOM 1616 CD1 LEU A 103 7.484 -1.850 -2.891 1.00 0.84 C ATOM 1617 CD2 LEU A 103 7.180 0.625 -3.069 1.00 0.91 C ATOM 0 H LEU A 103 8.351 -2.998 -5.809 1.00 0.47 H new ATOM 0 HA LEU A 103 5.666 -1.751 -5.957 1.00 0.45 H new ATOM 0 HB2 LEU A 103 8.429 -0.745 -5.191 1.00 0.52 H new ATOM 0 HB3 LEU A 103 7.108 0.341 -5.578 1.00 0.52 H new ATOM 0 HG LEU A 103 5.787 -0.942 -3.743 1.00 0.63 H new ATOM 0 HD11 LEU A 103 7.081 -1.825 -1.879 1.00 0.84 H new ATOM 0 HD12 LEU A 103 7.254 -2.812 -3.350 1.00 0.84 H new ATOM 0 HD13 LEU A 103 8.565 -1.715 -2.855 1.00 0.84 H new ATOM 0 HD21 LEU A 103 6.850 0.616 -2.030 1.00 0.91 H new ATOM 0 HD22 LEU A 103 8.256 0.796 -3.106 1.00 0.91 H new ATOM 0 HD23 LEU A 103 6.667 1.423 -3.606 1.00 0.91 H new ATOM 1629 N LEU A 104 5.962 -1.320 -8.401 1.00 0.45 N ATOM 1630 CA LEU A 104 6.031 -1.030 -9.836 1.00 0.46 C ATOM 1631 C LEU A 104 5.980 0.487 -10.063 1.00 0.48 C ATOM 1632 O LEU A 104 4.943 1.125 -9.856 1.00 0.45 O ATOM 1633 CB LEU A 104 4.864 -1.753 -10.553 1.00 0.46 C ATOM 1634 CG LEU A 104 4.889 -3.294 -10.449 1.00 0.61 C ATOM 1635 CD1 LEU A 104 3.555 -3.872 -10.946 1.00 0.62 C ATOM 1636 CD2 LEU A 104 6.033 -3.899 -11.274 1.00 0.91 C ATOM 0 H LEU A 104 5.013 -1.507 -8.078 1.00 0.45 H new ATOM 0 HA LEU A 104 6.971 -1.395 -10.251 1.00 0.46 H new ATOM 0 HB2 LEU A 104 3.923 -1.391 -10.139 1.00 0.46 H new ATOM 0 HB3 LEU A 104 4.877 -1.475 -11.607 1.00 0.46 H new ATOM 0 HG LEU A 104 5.046 -3.550 -9.401 1.00 0.61 H new ATOM 0 HD11 LEU A 104 3.579 -4.959 -10.870 1.00 0.62 H new ATOM 0 HD12 LEU A 104 2.740 -3.483 -10.335 1.00 0.62 H new ATOM 0 HD13 LEU A 104 3.399 -3.584 -11.986 1.00 0.62 H new ATOM 0 HD21 LEU A 104 6.018 -4.984 -11.176 1.00 0.91 H new ATOM 0 HD22 LEU A 104 5.909 -3.628 -12.322 1.00 0.91 H new ATOM 0 HD23 LEU A 104 6.986 -3.515 -10.911 1.00 0.91 H new ATOM 1648 N PHE A 105 7.093 1.076 -10.508 1.00 0.59 N ATOM 1649 CA PHE A 105 7.245 2.512 -10.740 1.00 0.63 C ATOM 1650 C PHE A 105 7.249 2.823 -12.245 1.00 0.68 C ATOM 1651 O PHE A 105 8.242 2.572 -12.925 1.00 1.20 O ATOM 1652 CB PHE A 105 8.550 2.987 -10.095 1.00 0.71 C ATOM 1653 CG PHE A 105 8.550 2.957 -8.584 1.00 0.67 C ATOM 1654 CD1 PHE A 105 7.756 3.874 -7.868 1.00 1.87 C ATOM 1655 CD2 PHE A 105 9.382 2.060 -7.889 1.00 1.85 C ATOM 1656 CE1 PHE A 105 7.830 3.923 -6.468 1.00 1.93 C ATOM 1657 CE2 PHE A 105 9.446 2.109 -6.489 1.00 1.80 C ATOM 1658 CZ PHE A 105 8.681 3.047 -5.777 1.00 0.74 C ATOM 0 H PHE A 105 7.939 0.549 -10.723 1.00 0.59 H new ATOM 0 HA PHE A 105 6.402 3.039 -10.292 1.00 0.63 H new ATOM 0 HB2 PHE A 105 9.368 2.364 -10.458 1.00 0.71 H new ATOM 0 HB3 PHE A 105 8.754 4.005 -10.425 1.00 0.71 H new ATOM 0 HD1 PHE A 105 7.090 4.540 -8.397 1.00 1.87 H new ATOM 0 HD2 PHE A 105 9.970 1.335 -8.433 1.00 1.85 H new ATOM 0 HE1 PHE A 105 7.231 4.636 -5.921 1.00 1.93 H new ATOM 0 HE2 PHE A 105 10.087 1.422 -5.956 1.00 1.80 H new ATOM 0 HZ PHE A 105 8.747 3.094 -4.700 1.00 0.74 H new ATOM 1668 N ALA A 106 6.150 3.377 -12.770 1.00 0.65 N ATOM 1669 CA ALA A 106 5.999 3.858 -14.155 1.00 0.66 C ATOM 1670 C ALA A 106 6.260 2.799 -15.253 1.00 1.69 C ATOM 1671 O ALA A 106 6.434 3.151 -16.416 1.00 2.57 O ATOM 1672 CB ALA A 106 6.883 5.107 -14.344 1.00 1.34 C ATOM 0 H ALA A 106 5.302 3.510 -12.219 1.00 0.65 H new ATOM 0 HA ALA A 106 4.947 4.108 -14.289 1.00 0.66 H new ATOM 0 HB1 ALA A 106 6.781 5.474 -15.365 1.00 1.34 H new ATOM 0 HB2 ALA A 106 6.569 5.884 -13.646 1.00 1.34 H new ATOM 0 HB3 ALA A 106 7.925 4.848 -14.154 1.00 1.34 H new ATOM 1678 N GLY A 107 6.371 1.515 -14.890 1.00 2.58 N ATOM 1679 CA GLY A 107 6.837 0.421 -15.754 1.00 3.60 C ATOM 1680 C GLY A 107 8.363 0.384 -15.912 1.00 2.71 C ATOM 1681 O GLY A 107 8.958 -0.686 -15.834 1.00 3.83 O ATOM 0 H GLY A 107 6.130 1.197 -13.951 1.00 2.58 H new ATOM 0 HA2 GLY A 107 6.498 -0.529 -15.341 1.00 3.60 H new ATOM 0 HA3 GLY A 107 6.379 0.523 -16.738 1.00 3.60 H new ATOM 1685 N GLY A 108 9.000 1.546 -16.106 1.00 1.44 N ATOM 1686 CA GLY A 108 10.443 1.668 -16.368 1.00 2.10 C ATOM 1687 C GLY A 108 11.359 1.411 -15.161 1.00 1.99 C ATOM 1688 O GLY A 108 12.568 1.277 -15.339 1.00 2.62 O ATOM 0 H GLY A 108 8.519 2.445 -16.085 1.00 1.44 H new ATOM 0 HA2 GLY A 108 10.711 0.969 -17.161 1.00 2.10 H new ATOM 0 HA3 GLY A 108 10.642 2.671 -16.746 1.00 2.10 H new ATOM 1692 N LYS A 109 10.812 1.325 -13.943 1.00 1.28 N ATOM 1693 CA LYS A 109 11.525 0.891 -12.733 1.00 1.04 C ATOM 1694 C LYS A 109 10.672 -0.058 -11.875 1.00 0.85 C ATOM 1695 O LYS A 109 9.443 -0.018 -11.883 1.00 0.82 O ATOM 1696 CB LYS A 109 11.961 2.109 -11.895 1.00 1.14 C ATOM 1697 CG LYS A 109 13.216 2.790 -12.454 1.00 1.48 C ATOM 1698 CD LYS A 109 13.579 4.031 -11.625 1.00 2.05 C ATOM 1699 CE LYS A 109 14.587 4.910 -12.369 1.00 2.69 C ATOM 1700 NZ LYS A 109 16.005 4.554 -12.133 1.00 4.30 N ATOM 0 H LYS A 109 9.836 1.561 -13.766 1.00 1.28 H new ATOM 0 HA LYS A 109 12.410 0.344 -13.059 1.00 1.04 H new ATOM 0 HB2 LYS A 109 11.146 2.831 -11.859 1.00 1.14 H new ATOM 0 HB3 LYS A 109 12.151 1.791 -10.870 1.00 1.14 H new ATOM 0 HG2 LYS A 109 14.049 2.087 -12.449 1.00 1.48 H new ATOM 0 HG3 LYS A 109 13.048 3.077 -13.492 1.00 1.48 H new ATOM 0 HD2 LYS A 109 12.678 4.606 -11.410 1.00 2.05 H new ATOM 0 HD3 LYS A 109 13.997 3.723 -10.666 1.00 2.05 H new ATOM 0 HE2 LYS A 109 14.383 4.849 -13.438 1.00 2.69 H new ATOM 0 HE3 LYS A 109 14.432 5.948 -12.074 1.00 2.69 H new ATOM 0 HZ1 LYS A 109 16.618 5.186 -12.686 1.00 4.30 H new ATOM 0 HZ2 LYS A 109 16.225 4.656 -11.122 1.00 4.30 H new ATOM 0 HZ3 LYS A 109 16.169 3.570 -12.425 1.00 4.30 H new ATOM 1714 N VAL A 110 11.354 -0.852 -11.057 1.00 1.04 N ATOM 1715 CA VAL A 110 10.780 -1.683 -9.998 1.00 0.99 C ATOM 1716 C VAL A 110 11.725 -1.718 -8.791 1.00 0.97 C ATOM 1717 O VAL A 110 12.931 -1.527 -8.958 1.00 1.16 O ATOM 1718 CB VAL A 110 10.463 -3.095 -10.538 1.00 1.01 C ATOM 1719 CG1 VAL A 110 11.728 -3.914 -10.859 1.00 2.08 C ATOM 1720 CG2 VAL A 110 9.543 -3.899 -9.605 1.00 1.97 C ATOM 0 H VAL A 110 12.369 -0.940 -11.114 1.00 1.04 H new ATOM 0 HA VAL A 110 9.838 -1.250 -9.662 1.00 0.99 H new ATOM 0 HB VAL A 110 9.929 -2.920 -11.472 1.00 1.01 H new ATOM 0 HG11 VAL A 110 11.440 -4.896 -11.234 1.00 2.08 H new ATOM 0 HG12 VAL A 110 12.316 -3.394 -11.616 1.00 2.08 H new ATOM 0 HG13 VAL A 110 12.324 -4.032 -9.954 1.00 2.08 H new ATOM 0 HG21 VAL A 110 9.356 -4.882 -10.037 1.00 1.97 H new ATOM 0 HG22 VAL A 110 10.022 -4.015 -8.633 1.00 1.97 H new ATOM 0 HG23 VAL A 110 8.598 -3.371 -9.482 1.00 1.97 H new ATOM 1730 N LEU A 111 11.180 -1.949 -7.596 1.00 0.79 N ATOM 1731 CA LEU A 111 11.939 -2.133 -6.358 1.00 0.74 C ATOM 1732 C LEU A 111 11.239 -3.168 -5.474 1.00 0.63 C ATOM 1733 O LEU A 111 10.090 -2.974 -5.092 1.00 0.83 O ATOM 1734 CB LEU A 111 12.054 -0.773 -5.642 1.00 0.91 C ATOM 1735 CG LEU A 111 12.915 -0.778 -4.364 1.00 1.32 C ATOM 1736 CD1 LEU A 111 14.389 -1.086 -4.664 1.00 2.12 C ATOM 1737 CD2 LEU A 111 12.797 0.587 -3.673 1.00 1.86 C ATOM 0 H LEU A 111 10.171 -2.015 -7.459 1.00 0.79 H new ATOM 0 HA LEU A 111 12.941 -2.502 -6.576 1.00 0.74 H new ATOM 0 HB2 LEU A 111 12.471 -0.047 -6.340 1.00 0.91 H new ATOM 0 HB3 LEU A 111 11.052 -0.429 -5.385 1.00 0.91 H new ATOM 0 HG LEU A 111 12.545 -1.567 -3.709 1.00 1.32 H new ATOM 0 HD11 LEU A 111 14.959 -1.079 -3.735 1.00 2.12 H new ATOM 0 HD12 LEU A 111 14.468 -2.068 -5.131 1.00 2.12 H new ATOM 0 HD13 LEU A 111 14.788 -0.330 -5.340 1.00 2.12 H new ATOM 0 HD21 LEU A 111 13.404 0.590 -2.768 1.00 1.86 H new ATOM 0 HD22 LEU A 111 13.148 1.368 -4.348 1.00 1.86 H new ATOM 0 HD23 LEU A 111 11.755 0.774 -3.412 1.00 1.86 H new ATOM 1749 N LYS A 112 11.933 -4.252 -5.121 1.00 0.72 N ATOM 1750 CA LYS A 112 11.392 -5.320 -4.273 1.00 0.91 C ATOM 1751 C LYS A 112 11.898 -5.170 -2.822 1.00 1.13 C ATOM 1752 O LYS A 112 13.099 -5.286 -2.578 1.00 1.59 O ATOM 1753 CB LYS A 112 11.728 -6.661 -4.946 1.00 1.27 C ATOM 1754 CG LYS A 112 11.059 -7.896 -4.314 1.00 1.51 C ATOM 1755 CD LYS A 112 11.716 -8.453 -3.043 1.00 1.73 C ATOM 1756 CE LYS A 112 13.212 -8.727 -3.243 1.00 2.38 C ATOM 1757 NZ LYS A 112 13.771 -9.431 -2.071 1.00 3.65 N ATOM 0 H LYS A 112 12.895 -4.416 -5.418 1.00 0.72 H new ATOM 0 HA LYS A 112 10.307 -5.264 -4.183 1.00 0.91 H new ATOM 0 HB2 LYS A 112 11.437 -6.606 -5.995 1.00 1.27 H new ATOM 0 HB3 LYS A 112 12.809 -6.801 -4.922 1.00 1.27 H new ATOM 0 HG2 LYS A 112 10.025 -7.643 -4.081 1.00 1.51 H new ATOM 0 HG3 LYS A 112 11.032 -8.690 -5.061 1.00 1.51 H new ATOM 0 HD2 LYS A 112 11.583 -7.744 -2.226 1.00 1.73 H new ATOM 0 HD3 LYS A 112 11.214 -9.375 -2.750 1.00 1.73 H new ATOM 0 HE2 LYS A 112 13.361 -9.328 -4.140 1.00 2.38 H new ATOM 0 HE3 LYS A 112 13.742 -7.787 -3.397 1.00 2.38 H new ATOM 0 HZ1 LYS A 112 14.797 -9.548 -2.193 1.00 3.65 H new ATOM 0 HZ2 LYS A 112 13.586 -8.875 -1.212 1.00 3.65 H new ATOM 0 HZ3 LYS A 112 13.324 -10.366 -1.982 1.00 3.65 H new ATOM 1771 N VAL A 113 10.993 -4.890 -1.884 1.00 0.93 N ATOM 1772 CA VAL A 113 11.262 -4.518 -0.477 1.00 1.06 C ATOM 1773 C VAL A 113 10.711 -5.593 0.482 1.00 0.96 C ATOM 1774 O VAL A 113 9.933 -6.445 0.060 1.00 0.94 O ATOM 1775 CB VAL A 113 10.652 -3.123 -0.165 1.00 1.20 C ATOM 1776 CG1 VAL A 113 11.103 -2.539 1.186 1.00 1.65 C ATOM 1777 CG2 VAL A 113 11.025 -2.073 -1.233 1.00 2.08 C ATOM 0 H VAL A 113 9.994 -4.915 -2.087 1.00 0.93 H new ATOM 0 HA VAL A 113 12.340 -4.459 -0.329 1.00 1.06 H new ATOM 0 HB VAL A 113 9.578 -3.311 -0.148 1.00 1.20 H new ATOM 0 HG11 VAL A 113 10.637 -1.565 1.335 1.00 1.65 H new ATOM 0 HG12 VAL A 113 10.804 -3.211 1.991 1.00 1.65 H new ATOM 0 HG13 VAL A 113 12.187 -2.427 1.190 1.00 1.65 H new ATOM 0 HG21 VAL A 113 10.577 -1.114 -0.973 1.00 2.08 H new ATOM 0 HG22 VAL A 113 12.109 -1.967 -1.276 1.00 2.08 H new ATOM 0 HG23 VAL A 113 10.653 -2.395 -2.206 1.00 2.08 H new ATOM 1787 N VAL A 114 11.091 -5.531 1.761 1.00 1.01 N ATOM 1788 CA VAL A 114 10.679 -6.441 2.851 1.00 0.98 C ATOM 1789 C VAL A 114 9.950 -5.667 3.955 1.00 0.92 C ATOM 1790 O VAL A 114 10.322 -4.530 4.255 1.00 1.02 O ATOM 1791 CB VAL A 114 11.893 -7.222 3.414 1.00 1.17 C ATOM 1792 CG1 VAL A 114 12.964 -6.312 4.043 1.00 2.67 C ATOM 1793 CG2 VAL A 114 11.459 -8.299 4.425 1.00 2.17 C ATOM 0 H VAL A 114 11.730 -4.807 2.089 1.00 1.01 H new ATOM 0 HA VAL A 114 9.983 -7.172 2.440 1.00 0.98 H new ATOM 0 HB VAL A 114 12.348 -7.708 2.551 1.00 1.17 H new ATOM 0 HG11 VAL A 114 13.786 -6.922 4.417 1.00 2.67 H new ATOM 0 HG12 VAL A 114 13.340 -5.619 3.290 1.00 2.67 H new ATOM 0 HG13 VAL A 114 12.525 -5.750 4.867 1.00 2.67 H new ATOM 0 HG21 VAL A 114 12.339 -8.825 4.797 1.00 2.17 H new ATOM 0 HG22 VAL A 114 10.939 -7.827 5.259 1.00 2.17 H new ATOM 0 HG23 VAL A 114 10.792 -9.009 3.936 1.00 2.17 H new ATOM 1803 N LEU A 115 8.903 -6.272 4.532 1.00 0.92 N ATOM 1804 CA LEU A 115 7.993 -5.679 5.520 1.00 0.94 C ATOM 1805 C LEU A 115 7.408 -6.751 6.473 1.00 0.88 C ATOM 1806 O LEU A 115 7.142 -7.872 6.039 1.00 0.99 O ATOM 1807 CB LEU A 115 6.805 -5.017 4.788 1.00 1.05 C ATOM 1808 CG LEU A 115 7.133 -3.846 3.844 1.00 1.65 C ATOM 1809 CD1 LEU A 115 5.859 -3.428 3.108 1.00 1.86 C ATOM 1810 CD2 LEU A 115 7.690 -2.634 4.603 1.00 3.13 C ATOM 0 H LEU A 115 8.656 -7.237 4.311 1.00 0.92 H new ATOM 0 HA LEU A 115 8.566 -4.954 6.098 1.00 0.94 H new ATOM 0 HB2 LEU A 115 6.292 -5.786 4.210 1.00 1.05 H new ATOM 0 HB3 LEU A 115 6.100 -4.660 5.539 1.00 1.05 H new ATOM 0 HG LEU A 115 7.897 -4.184 3.144 1.00 1.65 H new ATOM 0 HD11 LEU A 115 6.082 -2.599 2.437 1.00 1.86 H new ATOM 0 HD12 LEU A 115 5.480 -4.271 2.530 1.00 1.86 H new ATOM 0 HD13 LEU A 115 5.106 -3.116 3.832 1.00 1.86 H new ATOM 0 HD21 LEU A 115 7.907 -1.832 3.898 1.00 3.13 H new ATOM 0 HD22 LEU A 115 6.954 -2.289 5.329 1.00 3.13 H new ATOM 0 HD23 LEU A 115 8.605 -2.919 5.122 1.00 3.13 H new ATOM 1822 N PRO A 116 7.101 -6.409 7.742 1.00 0.76 N ATOM 1823 CA PRO A 116 6.284 -7.235 8.631 1.00 0.74 C ATOM 1824 C PRO A 116 4.807 -7.270 8.193 1.00 0.84 C ATOM 1825 O PRO A 116 4.382 -6.551 7.292 1.00 1.18 O ATOM 1826 CB PRO A 116 6.455 -6.611 10.020 1.00 0.81 C ATOM 1827 CG PRO A 116 6.657 -5.133 9.705 1.00 0.81 C ATOM 1828 CD PRO A 116 7.485 -5.178 8.421 1.00 0.76 C ATOM 0 HA PRO A 116 6.601 -8.278 8.615 1.00 0.74 H new ATOM 0 HB2 PRO A 116 5.579 -6.775 10.647 1.00 0.81 H new ATOM 0 HB3 PRO A 116 7.309 -7.032 10.550 1.00 0.81 H new ATOM 0 HG2 PRO A 116 5.709 -4.616 9.558 1.00 0.81 H new ATOM 0 HG3 PRO A 116 7.181 -4.615 10.508 1.00 0.81 H new ATOM 0 HD2 PRO A 116 7.284 -4.308 7.796 1.00 0.76 H new ATOM 0 HD3 PRO A 116 8.552 -5.171 8.644 1.00 0.76 H new ATOM 1836 N VAL A 117 4.007 -8.091 8.874 1.00 0.77 N ATOM 1837 CA VAL A 117 2.533 -8.093 8.820 1.00 0.93 C ATOM 1838 C VAL A 117 1.971 -7.867 10.222 1.00 1.01 C ATOM 1839 O VAL A 117 2.418 -8.531 11.159 1.00 1.01 O ATOM 1840 CB VAL A 117 1.971 -9.435 8.308 1.00 1.01 C ATOM 1841 CG1 VAL A 117 0.481 -9.374 7.945 1.00 1.32 C ATOM 1842 CG2 VAL A 117 2.750 -9.920 7.073 1.00 0.95 C ATOM 0 H VAL A 117 4.376 -8.803 9.505 1.00 0.77 H new ATOM 0 HA VAL A 117 2.239 -7.299 8.134 1.00 0.93 H new ATOM 0 HB VAL A 117 2.088 -10.132 9.137 1.00 1.01 H new ATOM 0 HG11 VAL A 117 0.152 -10.352 7.593 1.00 1.32 H new ATOM 0 HG12 VAL A 117 -0.097 -9.092 8.825 1.00 1.32 H new ATOM 0 HG13 VAL A 117 0.328 -8.635 7.159 1.00 1.32 H new ATOM 0 HG21 VAL A 117 2.335 -10.868 6.730 1.00 0.95 H new ATOM 0 HG22 VAL A 117 2.668 -9.179 6.277 1.00 0.95 H new ATOM 0 HG23 VAL A 117 3.799 -10.057 7.335 1.00 0.95 H new ATOM 1852 N GLU A 118 0.976 -6.986 10.354 1.00 1.21 N ATOM 1853 CA GLU A 118 0.294 -6.706 11.614 1.00 1.34 C ATOM 1854 C GLU A 118 -1.169 -6.282 11.460 1.00 1.61 C ATOM 1855 O GLU A 118 -1.607 -5.796 10.412 1.00 2.11 O ATOM 1856 CB GLU A 118 1.064 -5.647 12.438 1.00 1.29 C ATOM 1857 CG GLU A 118 1.946 -6.274 13.523 1.00 1.95 C ATOM 1858 CD GLU A 118 1.167 -7.298 14.357 1.00 3.79 C ATOM 1859 OE1 GLU A 118 -0.018 -7.018 14.655 1.00 4.67 O ATOM 1860 OE2 GLU A 118 1.695 -8.417 14.527 1.00 5.02 O ATOM 0 H GLU A 118 0.617 -6.439 9.572 1.00 1.21 H new ATOM 0 HA GLU A 118 0.283 -7.657 12.147 1.00 1.34 H new ATOM 0 HB2 GLU A 118 1.685 -5.052 11.769 1.00 1.29 H new ATOM 0 HB3 GLU A 118 0.352 -4.965 12.903 1.00 1.29 H new ATOM 0 HG2 GLU A 118 2.806 -6.759 13.060 1.00 1.95 H new ATOM 0 HG3 GLU A 118 2.334 -5.492 14.175 1.00 1.95 H new