USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 651 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 76 SER OG : rot 180:sc= 0.708 USER MOD Set 1.2: A 90 THR OG1 : rot -114:sc= 0.399 USER MOD Set 2.1: A 20 SER OG : rot 55:sc= 0.089 USER MOD Set 2.2: A 21 SER OG : rot 180:sc= 0.195 USER MOD Set 3.1: A 8 GLN : amide:sc= -0.765 X(o=-0.87,f=-0.95!) USER MOD Set 3.2: A 89 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0059 USER MOD Single : A 13 SER OG : rot 72:sc= 1.05 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0998 X(o=-0.1,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.174 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 128:sc= -0.0212 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.52 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 15:sc= 1.19 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.066 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0.133 USER MOD Single : A 79 THR OG1 : rot 130:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.436 K(o=-0.44,f=-1.7!) USER MOD Single : A 86 SER OG : rot -131:sc= 0.443 USER MOD Single : A 92 THR OG1 : rot -76:sc=0.000103 USER MOD Single : A 93 GLN : amide:sc= 0.393 K(o=0.39,f=-0.39) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot -150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N VAL A 6 -14.459 6.664 2.831 1.00 0.00 N ATOM 78 CA VAL A 6 -13.226 7.430 2.822 1.00 0.00 C ATOM 79 C VAL A 6 -12.536 7.048 1.507 1.00 0.00 C ATOM 80 O VAL A 6 -12.503 5.856 1.182 1.00 0.00 O ATOM 81 CB VAL A 6 -12.386 7.040 4.056 1.00 0.00 C ATOM 82 CG1 VAL A 6 -11.001 7.684 4.032 1.00 0.00 C ATOM 83 CG2 VAL A 6 -13.055 7.442 5.376 1.00 0.00 C ATOM 0 HA VAL A 6 -13.378 8.508 2.876 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.300 5.955 4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.444 7.382 4.919 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.465 7.361 3.140 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.104 8.769 4.020 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.421 7.144 6.211 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.198 8.522 5.397 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.022 6.946 5.460 1.00 0.00 H new ATOM 93 N PRO A 7 -11.996 8.005 0.733 1.00 0.00 N ATOM 94 CA PRO A 7 -11.359 7.713 -0.541 1.00 0.00 C ATOM 95 C PRO A 7 -10.088 6.902 -0.306 1.00 0.00 C ATOM 96 O PRO A 7 -9.181 7.341 0.410 1.00 0.00 O ATOM 97 CB PRO A 7 -11.079 9.066 -1.193 1.00 0.00 C ATOM 98 CG PRO A 7 -11.014 10.037 -0.021 1.00 0.00 C ATOM 99 CD PRO A 7 -11.962 9.430 1.009 1.00 0.00 C ATOM 0 HA PRO A 7 -11.987 7.110 -1.197 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.143 9.053 -1.752 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.866 9.341 -1.895 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -10.000 10.124 0.371 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.329 11.039 -0.314 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.611 9.622 2.023 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -12.957 9.867 0.928 1.00 0.00 H new ATOM 107 N GLN A 8 -10.031 5.709 -0.893 1.00 0.00 N ATOM 108 CA GLN A 8 -8.804 4.964 -1.076 1.00 0.00 C ATOM 109 C GLN A 8 -8.002 5.560 -2.225 1.00 0.00 C ATOM 110 O GLN A 8 -8.496 6.407 -2.976 1.00 0.00 O ATOM 111 CB GLN A 8 -9.119 3.464 -1.223 1.00 0.00 C ATOM 112 CG GLN A 8 -9.770 3.109 -2.572 1.00 0.00 C ATOM 113 CD GLN A 8 -9.306 1.808 -3.220 1.00 0.00 C ATOM 114 OE1 GLN A 8 -8.922 1.799 -4.382 1.00 0.00 O ATOM 115 NE2 GLN A 8 -9.360 0.686 -2.522 1.00 0.00 N ATOM 0 H GLN A 8 -10.855 5.231 -1.259 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.165 5.047 -0.197 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.197 2.893 -1.111 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.784 3.158 -0.415 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.849 3.055 -2.428 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.582 3.926 -3.269 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.681 0.702 -1.554 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.080 -0.196 -2.952 1.00 0.00 H new ATOM 124 N LEU A 9 -6.772 5.086 -2.378 1.00 0.00 N ATOM 125 CA LEU A 9 -5.953 5.400 -3.530 1.00 0.00 C ATOM 126 C LEU A 9 -6.450 4.576 -4.706 1.00 0.00 C ATOM 127 O LEU A 9 -5.945 3.492 -4.975 1.00 0.00 O ATOM 128 CB LEU A 9 -4.481 5.135 -3.209 1.00 0.00 C ATOM 129 CG LEU A 9 -3.895 6.233 -2.310 1.00 0.00 C ATOM 130 CD1 LEU A 9 -2.561 5.746 -1.772 1.00 0.00 C ATOM 131 CD2 LEU A 9 -3.690 7.546 -3.065 1.00 0.00 C ATOM 0 H LEU A 9 -6.318 4.472 -1.702 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.032 6.455 -3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.384 4.168 -2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.910 5.079 -4.136 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.599 6.430 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.126 6.512 -1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.712 4.833 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.886 5.543 -2.603 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.274 8.293 -2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.002 7.385 -3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.647 7.898 -3.450 1.00 0.00 H new ATOM 143 N THR A 10 -7.447 5.097 -5.408 1.00 0.00 N ATOM 144 CA THR A 10 -8.024 4.445 -6.575 1.00 0.00 C ATOM 145 C THR A 10 -6.978 4.239 -7.691 1.00 0.00 C ATOM 146 O THR A 10 -7.172 3.373 -8.537 1.00 0.00 O ATOM 147 CB THR A 10 -9.256 5.237 -7.063 1.00 0.00 C ATOM 148 OG1 THR A 10 -10.046 5.718 -5.975 1.00 0.00 O ATOM 149 CG2 THR A 10 -10.171 4.383 -7.950 1.00 0.00 C ATOM 0 H THR A 10 -7.882 5.992 -5.181 1.00 0.00 H new ATOM 0 HA THR A 10 -8.357 3.447 -6.288 1.00 0.00 H new ATOM 0 HB THR A 10 -8.854 6.074 -7.634 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.815 6.215 -6.324 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.025 4.979 -8.271 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.616 4.043 -8.824 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.523 3.520 -7.385 1.00 0.00 H new ATOM 157 N ASP A 11 -5.859 4.978 -7.703 1.00 0.00 N ATOM 158 CA ASP A 11 -4.798 4.812 -8.704 1.00 0.00 C ATOM 159 C ASP A 11 -3.698 3.841 -8.233 1.00 0.00 C ATOM 160 O ASP A 11 -2.703 3.648 -8.941 1.00 0.00 O ATOM 161 CB ASP A 11 -4.226 6.189 -9.101 1.00 0.00 C ATOM 162 CG ASP A 11 -4.473 6.499 -10.575 1.00 0.00 C ATOM 163 OD1 ASP A 11 -3.742 5.977 -11.448 1.00 0.00 O ATOM 164 OD2 ASP A 11 -5.364 7.323 -10.883 1.00 0.00 O ATOM 0 H ASP A 11 -5.665 5.708 -7.018 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.238 4.356 -9.591 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.682 6.964 -8.485 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.155 6.210 -8.899 1.00 0.00 H new ATOM 169 N LEU A 12 -3.837 3.248 -7.035 1.00 0.00 N ATOM 170 CA LEU A 12 -2.840 2.374 -6.401 1.00 0.00 C ATOM 171 C LEU A 12 -2.456 1.239 -7.334 1.00 0.00 C ATOM 172 O LEU A 12 -3.295 0.414 -7.700 1.00 0.00 O ATOM 173 CB LEU A 12 -3.363 1.821 -5.064 1.00 0.00 C ATOM 174 CG LEU A 12 -2.403 0.983 -4.192 1.00 0.00 C ATOM 175 CD1 LEU A 12 -2.172 -0.464 -4.661 1.00 0.00 C ATOM 176 CD2 LEU A 12 -1.076 1.722 -3.991 1.00 0.00 C ATOM 0 H LEU A 12 -4.674 3.369 -6.464 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.950 2.969 -6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.704 2.666 -4.465 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.239 1.208 -5.278 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.914 0.873 -3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.483 -0.962 -3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.122 -0.999 -4.672 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.747 -0.458 -5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.412 1.116 -3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.609 1.901 -4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.262 2.675 -3.496 1.00 0.00 H new ATOM 188 N SER A 13 -1.188 1.230 -7.727 1.00 0.00 N ATOM 189 CA SER A 13 -0.595 0.276 -8.636 1.00 0.00 C ATOM 190 C SER A 13 0.823 -0.038 -8.193 1.00 0.00 C ATOM 191 O SER A 13 1.440 0.776 -7.504 1.00 0.00 O ATOM 192 CB SER A 13 -0.568 0.889 -10.030 1.00 0.00 C ATOM 193 OG SER A 13 -1.833 1.429 -10.398 1.00 0.00 O ATOM 0 H SER A 13 -0.518 1.926 -7.400 1.00 0.00 H new ATOM 0 HA SER A 13 -1.178 -0.645 -8.642 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.186 1.675 -10.066 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.273 0.130 -10.755 1.00 0.00 H new ATOM 0 HG SER A 13 -2.004 2.244 -9.881 1.00 0.00 H new ATOM 199 N PHE A 14 1.369 -1.174 -8.630 1.00 0.00 N ATOM 200 CA PHE A 14 2.780 -1.486 -8.471 1.00 0.00 C ATOM 201 C PHE A 14 3.440 -1.353 -9.837 1.00 0.00 C ATOM 202 O PHE A 14 2.775 -1.435 -10.876 1.00 0.00 O ATOM 203 CB PHE A 14 2.932 -2.885 -7.869 1.00 0.00 C ATOM 204 CG PHE A 14 2.136 -3.141 -6.600 1.00 0.00 C ATOM 205 CD1 PHE A 14 1.782 -2.091 -5.726 1.00 0.00 C ATOM 206 CD2 PHE A 14 1.726 -4.452 -6.301 1.00 0.00 C ATOM 207 CE1 PHE A 14 0.976 -2.337 -4.605 1.00 0.00 C ATOM 208 CE2 PHE A 14 0.951 -4.699 -5.158 1.00 0.00 C ATOM 209 CZ PHE A 14 0.555 -3.638 -4.328 1.00 0.00 C ATOM 0 H PHE A 14 0.838 -1.903 -9.106 1.00 0.00 H new ATOM 0 HA PHE A 14 3.272 -0.799 -7.783 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.634 -3.618 -8.618 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.987 -3.057 -7.656 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.135 -1.089 -5.922 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.007 -5.268 -6.950 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.682 -1.523 -3.959 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.658 -5.710 -4.915 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.077 -3.829 -3.473 1.00 0.00 H new ATOM 219 N VAL A 15 4.739 -1.094 -9.830 1.00 0.00 N ATOM 220 CA VAL A 15 5.641 -0.955 -10.938 1.00 0.00 C ATOM 221 C VAL A 15 6.964 -1.612 -10.563 1.00 0.00 C ATOM 222 O VAL A 15 7.145 -1.955 -9.399 1.00 0.00 O ATOM 223 CB VAL A 15 5.766 0.524 -11.341 1.00 0.00 C ATOM 224 CG1 VAL A 15 4.455 1.329 -11.263 1.00 0.00 C ATOM 225 CG2 VAL A 15 6.752 1.322 -10.468 1.00 0.00 C ATOM 0 H VAL A 15 5.229 -0.964 -8.945 1.00 0.00 H new ATOM 0 HA VAL A 15 5.264 -1.464 -11.825 1.00 0.00 H new ATOM 0 HB VAL A 15 6.108 0.431 -12.372 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.642 2.359 -11.565 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.715 0.884 -11.928 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.079 1.314 -10.240 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.787 2.356 -10.811 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.422 1.296 -9.429 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.745 0.880 -10.544 1.00 0.00 H new ATOM 235 N ASP A 16 7.896 -1.713 -11.514 1.00 0.00 N ATOM 236 CA ASP A 16 9.273 -2.149 -11.280 1.00 0.00 C ATOM 237 C ASP A 16 9.331 -3.365 -10.358 1.00 0.00 C ATOM 238 O ASP A 16 9.887 -3.326 -9.260 1.00 0.00 O ATOM 239 CB ASP A 16 10.098 -0.963 -10.776 1.00 0.00 C ATOM 240 CG ASP A 16 11.599 -1.248 -10.786 1.00 0.00 C ATOM 241 OD1 ASP A 16 12.077 -1.924 -11.722 1.00 0.00 O ATOM 242 OD2 ASP A 16 12.305 -0.647 -9.943 1.00 0.00 O ATOM 0 H ASP A 16 7.708 -1.488 -12.491 1.00 0.00 H new ATOM 0 HA ASP A 16 9.715 -2.485 -12.218 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.893 -0.091 -11.398 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.786 -0.712 -9.762 1.00 0.00 H new ATOM 247 N ILE A 17 8.666 -4.431 -10.809 1.00 0.00 N ATOM 248 CA ILE A 17 8.471 -5.706 -10.123 1.00 0.00 C ATOM 249 C ILE A 17 9.786 -6.506 -10.207 1.00 0.00 C ATOM 250 O ILE A 17 9.818 -7.648 -10.667 1.00 0.00 O ATOM 251 CB ILE A 17 7.254 -6.444 -10.754 1.00 0.00 C ATOM 252 CG1 ILE A 17 6.013 -5.566 -11.070 1.00 0.00 C ATOM 253 CG2 ILE A 17 6.812 -7.635 -9.881 1.00 0.00 C ATOM 254 CD1 ILE A 17 5.339 -4.885 -9.876 1.00 0.00 C ATOM 0 H ILE A 17 8.220 -4.423 -11.726 1.00 0.00 H new ATOM 0 HA ILE A 17 8.238 -5.569 -9.067 1.00 0.00 H new ATOM 0 HB ILE A 17 7.636 -6.779 -11.718 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.312 -4.794 -11.779 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.272 -6.189 -11.571 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.960 -8.131 -10.347 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.636 -8.342 -9.786 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.526 -7.275 -8.893 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.487 -4.301 -10.224 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.997 -5.642 -9.171 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.053 -4.226 -9.382 1.00 0.00 H new ATOM 266 N THR A 18 10.907 -5.870 -9.892 1.00 0.00 N ATOM 267 CA THR A 18 12.232 -6.447 -10.005 1.00 0.00 C ATOM 268 C THR A 18 12.392 -7.543 -8.934 1.00 0.00 C ATOM 269 O THR A 18 11.624 -7.633 -7.980 1.00 0.00 O ATOM 270 CB THR A 18 13.236 -5.273 -9.986 1.00 0.00 C ATOM 271 OG1 THR A 18 14.490 -5.607 -10.553 1.00 0.00 O ATOM 272 CG2 THR A 18 13.442 -4.589 -8.632 1.00 0.00 C ATOM 0 H THR A 18 10.915 -4.912 -9.542 1.00 0.00 H new ATOM 0 HA THR A 18 12.422 -6.978 -10.938 1.00 0.00 H new ATOM 0 HB THR A 18 12.740 -4.537 -10.619 1.00 0.00 H new ATOM 0 HG1 THR A 18 15.084 -4.828 -10.516 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.166 -3.782 -8.739 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.493 -4.182 -8.282 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.813 -5.316 -7.910 1.00 0.00 H new ATOM 280 N ASP A 19 13.430 -8.367 -9.041 1.00 0.00 N ATOM 281 CA ASP A 19 13.643 -9.520 -8.154 1.00 0.00 C ATOM 282 C ASP A 19 14.112 -9.097 -6.755 1.00 0.00 C ATOM 283 O ASP A 19 14.262 -9.929 -5.861 1.00 0.00 O ATOM 284 CB ASP A 19 14.706 -10.446 -8.771 1.00 0.00 C ATOM 285 CG ASP A 19 14.091 -11.573 -9.570 1.00 0.00 C ATOM 286 OD1 ASP A 19 13.754 -11.337 -10.755 1.00 0.00 O ATOM 287 OD2 ASP A 19 14.020 -12.713 -9.049 1.00 0.00 O ATOM 0 H ASP A 19 14.156 -8.258 -9.749 1.00 0.00 H new ATOM 0 HA ASP A 19 12.687 -10.034 -8.050 1.00 0.00 H new ATOM 0 HB2 ASP A 19 15.363 -9.862 -9.416 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.327 -10.863 -7.978 1.00 0.00 H new ATOM 292 N SER A 20 14.354 -7.800 -6.561 1.00 0.00 N ATOM 293 CA SER A 20 15.012 -7.214 -5.410 1.00 0.00 C ATOM 294 C SER A 20 14.168 -6.223 -4.631 1.00 0.00 C ATOM 295 O SER A 20 14.576 -5.784 -3.555 1.00 0.00 O ATOM 296 CB SER A 20 16.335 -6.618 -5.900 1.00 0.00 C ATOM 297 OG SER A 20 16.158 -5.431 -6.664 1.00 0.00 O ATOM 0 H SER A 20 14.077 -7.097 -7.246 1.00 0.00 H new ATOM 0 HA SER A 20 15.192 -7.997 -4.673 1.00 0.00 H new ATOM 0 HB2 SER A 20 16.970 -6.400 -5.041 1.00 0.00 H new ATOM 0 HB3 SER A 20 16.859 -7.358 -6.504 1.00 0.00 H new ATOM 0 HG SER A 20 15.638 -4.782 -6.145 1.00 0.00 H new ATOM 303 N SER A 21 13.029 -5.823 -5.175 1.00 0.00 N ATOM 304 CA SER A 21 12.238 -4.713 -4.699 1.00 0.00 C ATOM 305 C SER A 21 10.970 -4.582 -5.536 1.00 0.00 C ATOM 306 O SER A 21 10.849 -5.217 -6.578 1.00 0.00 O ATOM 307 CB SER A 21 13.071 -3.411 -4.658 1.00 0.00 C ATOM 308 OG SER A 21 14.180 -3.345 -5.553 1.00 0.00 O ATOM 0 H SER A 21 12.621 -6.283 -5.989 1.00 0.00 H new ATOM 0 HA SER A 21 11.930 -4.905 -3.671 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.408 -2.573 -4.872 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.442 -3.273 -3.642 1.00 0.00 H new ATOM 0 HG SER A 21 14.635 -2.484 -5.447 1.00 0.00 H new ATOM 314 N ILE A 22 10.023 -3.764 -5.083 1.00 0.00 N ATOM 315 CA ILE A 22 8.815 -3.469 -5.849 1.00 0.00 C ATOM 316 C ILE A 22 8.557 -1.966 -5.766 1.00 0.00 C ATOM 317 O ILE A 22 8.685 -1.368 -4.692 1.00 0.00 O ATOM 318 CB ILE A 22 7.656 -4.371 -5.359 1.00 0.00 C ATOM 319 CG1 ILE A 22 6.522 -4.419 -6.398 1.00 0.00 C ATOM 320 CG2 ILE A 22 7.127 -3.930 -3.991 1.00 0.00 C ATOM 321 CD1 ILE A 22 5.343 -5.328 -6.009 1.00 0.00 C ATOM 0 H ILE A 22 10.070 -3.290 -4.181 1.00 0.00 H new ATOM 0 HA ILE A 22 8.922 -3.705 -6.908 1.00 0.00 H new ATOM 0 HB ILE A 22 8.056 -5.378 -5.241 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.148 -3.408 -6.557 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.931 -4.761 -7.349 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.315 -4.590 -3.685 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.931 -3.980 -3.257 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.758 -2.906 -4.056 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.589 -5.303 -6.796 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.699 -6.350 -5.879 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.904 -4.975 -5.076 1.00 0.00 H new ATOM 333 N GLY A 23 8.235 -1.330 -6.887 1.00 0.00 N ATOM 334 CA GLY A 23 7.846 0.073 -6.941 1.00 0.00 C ATOM 335 C GLY A 23 6.333 0.199 -6.843 1.00 0.00 C ATOM 336 O GLY A 23 5.602 -0.752 -7.117 1.00 0.00 O ATOM 0 H GLY A 23 8.237 -1.784 -7.800 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.318 0.621 -6.126 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.197 0.520 -7.871 1.00 0.00 H new ATOM 340 N LEU A 24 5.838 1.393 -6.522 1.00 0.00 N ATOM 341 CA LEU A 24 4.418 1.710 -6.428 1.00 0.00 C ATOM 342 C LEU A 24 4.177 3.031 -7.120 1.00 0.00 C ATOM 343 O LEU A 24 5.008 3.941 -7.030 1.00 0.00 O ATOM 344 CB LEU A 24 3.948 1.862 -4.973 1.00 0.00 C ATOM 345 CG LEU A 24 3.977 0.548 -4.181 1.00 0.00 C ATOM 346 CD1 LEU A 24 5.165 0.523 -3.219 1.00 0.00 C ATOM 347 CD2 LEU A 24 2.681 0.371 -3.381 1.00 0.00 C ATOM 0 H LEU A 24 6.437 2.192 -6.313 1.00 0.00 H new ATOM 0 HA LEU A 24 3.866 0.890 -6.888 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.579 2.594 -4.470 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.933 2.259 -4.967 1.00 0.00 H new ATOM 0 HG LEU A 24 4.075 -0.268 -4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.167 -0.417 -2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.093 0.614 -3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.084 1.354 -2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.721 -0.566 -2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.568 1.201 -2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.832 0.353 -4.064 1.00 0.00 H new ATOM 359 N ARG A 25 2.986 3.178 -7.701 1.00 0.00 N ATOM 360 CA ARG A 25 2.473 4.474 -8.103 1.00 0.00 C ATOM 361 C ARG A 25 1.063 4.598 -7.559 1.00 0.00 C ATOM 362 O ARG A 25 0.332 3.610 -7.472 1.00 0.00 O ATOM 363 CB ARG A 25 2.487 4.613 -9.637 1.00 0.00 C ATOM 364 CG ARG A 25 3.875 5.025 -10.127 1.00 0.00 C ATOM 365 CD ARG A 25 4.039 4.934 -11.649 1.00 0.00 C ATOM 366 NE ARG A 25 4.256 6.243 -12.280 1.00 0.00 N ATOM 367 CZ ARG A 25 3.351 7.012 -12.889 1.00 0.00 C ATOM 368 NH1 ARG A 25 2.069 6.661 -12.953 1.00 0.00 N ATOM 369 NH2 ARG A 25 3.754 8.141 -13.457 1.00 0.00 N ATOM 0 H ARG A 25 2.357 2.401 -7.903 1.00 0.00 H new ATOM 0 HA ARG A 25 3.100 5.272 -7.705 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.199 3.667 -10.096 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.751 5.355 -9.947 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.075 6.048 -9.809 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.623 4.391 -9.651 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.880 4.281 -11.880 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.150 4.472 -12.078 1.00 0.00 H new ATOM 0 HE ARG A 25 5.209 6.606 -12.249 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.758 5.786 -12.531 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.397 7.267 -13.424 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.738 8.406 -13.423 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.080 8.744 -13.928 1.00 0.00 H new ATOM 383 N TRP A 26 0.684 5.806 -7.180 1.00 0.00 N ATOM 384 CA TRP A 26 -0.690 6.187 -6.907 1.00 0.00 C ATOM 385 C TRP A 26 -0.799 7.696 -7.149 1.00 0.00 C ATOM 386 O TRP A 26 0.204 8.331 -7.493 1.00 0.00 O ATOM 387 CB TRP A 26 -1.045 5.756 -5.480 1.00 0.00 C ATOM 388 CG TRP A 26 -0.209 6.335 -4.382 1.00 0.00 C ATOM 389 CD1 TRP A 26 -0.374 7.555 -3.827 1.00 0.00 C ATOM 390 CD2 TRP A 26 0.873 5.704 -3.632 1.00 0.00 C ATOM 391 NE1 TRP A 26 0.535 7.731 -2.816 1.00 0.00 N ATOM 392 CE2 TRP A 26 1.319 6.623 -2.639 1.00 0.00 C ATOM 393 CE3 TRP A 26 1.486 4.433 -3.635 1.00 0.00 C ATOM 394 CZ2 TRP A 26 2.308 6.307 -1.704 1.00 0.00 C ATOM 395 CZ3 TRP A 26 2.509 4.126 -2.724 1.00 0.00 C ATOM 396 CH2 TRP A 26 2.925 5.050 -1.758 1.00 0.00 C ATOM 0 H TRP A 26 1.345 6.572 -7.050 1.00 0.00 H new ATOM 0 HA TRP A 26 -1.409 5.694 -7.561 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -2.086 6.020 -5.292 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -0.977 4.670 -5.424 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -1.111 8.282 -4.133 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.617 8.584 -2.263 1.00 0.00 H new ATOM 0 HE3 TRP A 26 1.164 3.687 -4.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 2.594 7.024 -0.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.985 3.157 -2.769 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.712 4.797 -1.063 1.00 0.00 H new ATOM 407 N THR A 27 -1.975 8.305 -6.967 1.00 0.00 N ATOM 408 CA THR A 27 -2.059 9.756 -7.102 1.00 0.00 C ATOM 409 C THR A 27 -2.052 10.367 -5.696 1.00 0.00 C ATOM 410 O THR A 27 -2.753 9.857 -4.820 1.00 0.00 O ATOM 411 CB THR A 27 -3.341 10.062 -7.887 1.00 0.00 C ATOM 412 OG1 THR A 27 -3.141 9.631 -9.220 1.00 0.00 O ATOM 413 CG2 THR A 27 -3.714 11.541 -7.908 1.00 0.00 C ATOM 0 H THR A 27 -2.850 7.834 -6.735 1.00 0.00 H new ATOM 0 HA THR A 27 -1.217 10.187 -7.644 1.00 0.00 H new ATOM 0 HB THR A 27 -4.160 9.542 -7.391 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.947 9.813 -9.747 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.631 11.677 -8.482 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.869 11.892 -6.888 1.00 0.00 H new ATOM 0 HG23 THR A 27 -2.909 12.113 -8.370 1.00 0.00 H new ATOM 421 N PRO A 28 -1.384 11.514 -5.478 1.00 0.00 N ATOM 422 CA PRO A 28 -1.402 12.170 -4.179 1.00 0.00 C ATOM 423 C PRO A 28 -2.750 12.875 -3.993 1.00 0.00 C ATOM 424 O PRO A 28 -3.134 13.711 -4.812 1.00 0.00 O ATOM 425 CB PRO A 28 -0.202 13.126 -4.184 1.00 0.00 C ATOM 426 CG PRO A 28 0.163 13.324 -5.656 1.00 0.00 C ATOM 427 CD PRO A 28 -0.417 12.118 -6.382 1.00 0.00 C ATOM 0 HA PRO A 28 -1.310 11.483 -3.338 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.456 14.075 -3.712 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.635 12.707 -3.626 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.255 14.254 -6.043 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.243 13.380 -5.789 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.894 12.420 -7.314 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.368 11.407 -6.641 1.00 0.00 H new ATOM 435 N LEU A 29 -3.474 12.556 -2.915 1.00 0.00 N ATOM 436 CA LEU A 29 -4.808 13.098 -2.630 1.00 0.00 C ATOM 437 C LEU A 29 -4.758 14.489 -2.026 1.00 0.00 C ATOM 438 O LEU A 29 -5.570 15.334 -2.394 1.00 0.00 O ATOM 439 CB LEU A 29 -5.636 12.182 -1.714 1.00 0.00 C ATOM 440 CG LEU A 29 -5.662 10.696 -2.103 1.00 0.00 C ATOM 441 CD1 LEU A 29 -5.089 9.788 -1.020 1.00 0.00 C ATOM 442 CD2 LEU A 29 -7.077 10.247 -2.486 1.00 0.00 C ATOM 0 H LEU A 29 -3.145 11.903 -2.204 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.298 13.157 -3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.247 12.266 -0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.661 12.551 -1.693 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.014 10.600 -2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.135 8.751 -1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.052 10.062 -0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.671 9.901 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.063 9.191 -2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.748 10.396 -1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.428 10.834 -3.335 1.00 0.00 H new ATOM 454 N ASN A 30 -3.816 14.724 -1.105 1.00 0.00 N ATOM 455 CA ASN A 30 -3.627 15.967 -0.358 1.00 0.00 C ATOM 456 C ASN A 30 -4.940 16.638 0.033 1.00 0.00 C ATOM 457 O ASN A 30 -5.110 17.836 -0.179 1.00 0.00 O ATOM 458 CB ASN A 30 -2.592 16.882 -1.047 1.00 0.00 C ATOM 459 CG ASN A 30 -2.986 17.363 -2.440 1.00 0.00 C ATOM 460 OD1 ASN A 30 -3.376 18.512 -2.631 1.00 0.00 O ATOM 461 ND2 ASN A 30 -2.830 16.532 -3.460 1.00 0.00 N ATOM 0 H ASN A 30 -3.131 14.013 -0.849 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.187 15.716 0.607 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.419 17.752 -0.414 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.645 16.346 -1.118 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.034 16.845 -4.409 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.506 15.579 -3.296 1.00 0.00 H new ATOM 468 N SER A 31 -5.870 15.856 0.606 1.00 0.00 N ATOM 469 CA SER A 31 -7.171 16.371 1.038 1.00 0.00 C ATOM 470 C SER A 31 -7.015 17.575 1.987 1.00 0.00 C ATOM 471 O SER A 31 -7.515 18.656 1.680 1.00 0.00 O ATOM 472 CB SER A 31 -7.961 15.276 1.769 1.00 0.00 C ATOM 473 OG SER A 31 -8.456 14.289 0.878 1.00 0.00 O ATOM 0 H SER A 31 -5.739 14.859 0.780 1.00 0.00 H new ATOM 0 HA SER A 31 -7.705 16.690 0.143 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.320 14.803 2.513 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.794 15.729 2.307 1.00 0.00 H new ATOM 0 HG SER A 31 -8.951 13.611 1.383 1.00 0.00 H new ATOM 479 N SER A 32 -6.399 17.375 3.158 1.00 0.00 N ATOM 480 CA SER A 32 -6.390 18.334 4.260 1.00 0.00 C ATOM 481 C SER A 32 -5.549 17.759 5.411 1.00 0.00 C ATOM 482 O SER A 32 -4.330 17.667 5.291 1.00 0.00 O ATOM 483 CB SER A 32 -7.840 18.676 4.675 1.00 0.00 C ATOM 484 OG SER A 32 -8.608 17.491 4.868 1.00 0.00 O ATOM 0 H SER A 32 -5.882 16.521 3.367 1.00 0.00 H new ATOM 0 HA SER A 32 -5.930 19.274 3.955 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.831 19.262 5.594 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.306 19.295 3.908 1.00 0.00 H new ATOM 0 HG SER A 32 -9.521 17.732 5.132 1.00 0.00 H new ATOM 490 N THR A 33 -6.206 17.277 6.470 1.00 0.00 N ATOM 491 CA THR A 33 -5.626 16.806 7.719 1.00 0.00 C ATOM 492 C THR A 33 -5.020 15.389 7.530 1.00 0.00 C ATOM 493 O THR A 33 -4.417 14.856 8.459 1.00 0.00 O ATOM 494 CB THR A 33 -6.737 16.926 8.798 1.00 0.00 C ATOM 495 OG1 THR A 33 -6.521 18.073 9.604 1.00 0.00 O ATOM 496 CG2 THR A 33 -6.800 15.801 9.826 1.00 0.00 C ATOM 0 H THR A 33 -7.223 17.203 6.472 1.00 0.00 H new ATOM 0 HA THR A 33 -4.779 17.405 8.053 1.00 0.00 H new ATOM 0 HB THR A 33 -7.646 16.933 8.196 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.229 18.137 10.278 1.00 0.00 H new ATOM 0 HG21 THR A 33 -7.613 15.993 10.526 1.00 0.00 H new ATOM 0 HG22 THR A 33 -6.976 14.853 9.318 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.857 15.752 10.370 1.00 0.00 H new ATOM 504 N ILE A 34 -5.179 14.775 6.345 1.00 0.00 N ATOM 505 CA ILE A 34 -4.578 13.512 5.927 1.00 0.00 C ATOM 506 C ILE A 34 -3.175 13.301 6.504 1.00 0.00 C ATOM 507 O ILE A 34 -2.305 14.165 6.377 1.00 0.00 O ATOM 508 CB ILE A 34 -4.620 13.388 4.390 1.00 0.00 C ATOM 509 CG1 ILE A 34 -4.303 11.949 3.936 1.00 0.00 C ATOM 510 CG2 ILE A 34 -3.755 14.433 3.690 1.00 0.00 C ATOM 511 CD1 ILE A 34 -2.859 11.701 3.450 1.00 0.00 C ATOM 0 H ILE A 34 -5.767 15.177 5.615 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.176 12.702 6.344 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.642 13.603 4.079 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.508 11.273 4.766 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.988 11.683 3.131 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.823 14.298 2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.105 15.431 3.954 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.718 14.317 4.005 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.748 10.657 3.156 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.647 12.343 2.595 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.160 11.927 4.255 1.00 0.00 H new ATOM 523 N ILE A 35 -2.965 12.139 7.129 1.00 0.00 N ATOM 524 CA ILE A 35 -1.687 11.841 7.745 1.00 0.00 C ATOM 525 C ILE A 35 -0.778 11.289 6.658 1.00 0.00 C ATOM 526 O ILE A 35 0.265 11.883 6.379 1.00 0.00 O ATOM 527 CB ILE A 35 -1.822 10.864 8.930 1.00 0.00 C ATOM 528 CG1 ILE A 35 -2.790 11.385 10.013 1.00 0.00 C ATOM 529 CG2 ILE A 35 -0.440 10.618 9.560 1.00 0.00 C ATOM 530 CD1 ILE A 35 -4.215 10.855 9.855 1.00 0.00 C ATOM 0 H ILE A 35 -3.663 11.400 7.217 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.261 12.749 8.171 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.233 9.934 8.537 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.411 11.102 10.995 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.809 12.474 9.980 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.540 9.927 10.397 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.229 10.190 8.814 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.029 11.563 9.916 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.844 11.260 10.648 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.611 11.160 8.886 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.208 9.767 9.918 1.00 0.00 H new ATOM 542 N GLY A 36 -1.146 10.158 6.054 1.00 0.00 N ATOM 543 CA GLY A 36 -0.232 9.482 5.157 1.00 0.00 C ATOM 544 C GLY A 36 -0.842 8.236 4.547 1.00 0.00 C ATOM 545 O GLY A 36 -2.066 8.082 4.523 1.00 0.00 O ATOM 0 H GLY A 36 -2.052 9.705 6.171 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.065 10.165 4.361 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.674 9.212 5.700 1.00 0.00 H new ATOM 549 N TYR A 37 0.011 7.353 4.041 1.00 0.00 N ATOM 550 CA TYR A 37 -0.367 6.067 3.486 1.00 0.00 C ATOM 551 C TYR A 37 0.558 5.052 4.154 1.00 0.00 C ATOM 552 O TYR A 37 1.741 5.343 4.351 1.00 0.00 O ATOM 553 CB TYR A 37 -0.197 6.077 1.948 1.00 0.00 C ATOM 554 CG TYR A 37 -0.608 7.382 1.297 1.00 0.00 C ATOM 555 CD1 TYR A 37 -1.954 7.761 1.383 1.00 0.00 C ATOM 556 CD2 TYR A 37 0.332 8.262 0.726 1.00 0.00 C ATOM 557 CE1 TYR A 37 -2.368 9.019 0.932 1.00 0.00 C ATOM 558 CE2 TYR A 37 -0.085 9.505 0.212 1.00 0.00 C ATOM 559 CZ TYR A 37 -1.441 9.885 0.322 1.00 0.00 C ATOM 560 OH TYR A 37 -1.871 11.089 -0.142 1.00 0.00 O ATOM 0 H TYR A 37 1.016 7.522 4.007 1.00 0.00 H new ATOM 0 HA TYR A 37 -1.413 5.822 3.672 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.846 5.873 1.706 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.788 5.267 1.521 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.678 7.077 1.801 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.374 7.983 0.682 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.397 9.325 1.052 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.627 10.163 -0.263 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.301 11.801 0.217 1.00 0.00 H new ATOM 570 N ARG A 38 0.030 3.886 4.521 1.00 0.00 N ATOM 571 CA ARG A 38 0.708 2.886 5.334 1.00 0.00 C ATOM 572 C ARG A 38 0.736 1.593 4.541 1.00 0.00 C ATOM 573 O ARG A 38 -0.324 1.023 4.251 1.00 0.00 O ATOM 574 CB ARG A 38 -0.020 2.787 6.686 1.00 0.00 C ATOM 575 CG ARG A 38 0.300 1.577 7.575 1.00 0.00 C ATOM 576 CD ARG A 38 -0.538 0.342 7.196 1.00 0.00 C ATOM 577 NE ARG A 38 -1.118 -0.330 8.368 1.00 0.00 N ATOM 578 CZ ARG A 38 -2.293 -0.073 8.957 1.00 0.00 C ATOM 579 NH1 ARG A 38 -3.078 0.922 8.546 1.00 0.00 N ATOM 580 NH2 ARG A 38 -2.696 -0.818 9.975 1.00 0.00 N ATOM 0 H ARG A 38 -0.912 3.605 4.250 1.00 0.00 H new ATOM 0 HA ARG A 38 1.742 3.144 5.561 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.201 3.690 7.254 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.093 2.788 6.492 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.360 1.336 7.490 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.114 1.835 8.618 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.339 0.644 6.522 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.088 -0.364 6.650 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.561 -1.079 8.780 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.789 1.510 7.764 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.968 1.095 9.013 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.112 -1.585 10.308 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.590 -0.625 10.426 1.00 0.00 H new ATOM 594 N ILE A 39 1.921 1.139 4.158 1.00 0.00 N ATOM 595 CA ILE A 39 2.088 -0.092 3.404 1.00 0.00 C ATOM 596 C ILE A 39 2.324 -1.211 4.419 1.00 0.00 C ATOM 597 O ILE A 39 2.938 -0.997 5.460 1.00 0.00 O ATOM 598 CB ILE A 39 3.188 0.087 2.325 1.00 0.00 C ATOM 599 CG1 ILE A 39 2.660 0.993 1.181 1.00 0.00 C ATOM 600 CG2 ILE A 39 3.619 -1.254 1.703 1.00 0.00 C ATOM 601 CD1 ILE A 39 2.775 2.502 1.435 1.00 0.00 C ATOM 0 H ILE A 39 2.798 1.618 4.364 1.00 0.00 H new ATOM 0 HA ILE A 39 1.203 -0.365 2.828 1.00 0.00 H new ATOM 0 HB ILE A 39 4.047 0.537 2.823 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.205 0.752 0.268 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.613 0.750 1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.390 -1.076 0.954 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.013 -1.906 2.482 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.759 -1.730 1.232 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.379 3.046 0.578 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.205 2.765 2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.822 2.768 1.582 1.00 0.00 H new ATOM 613 N THR A 40 1.809 -2.397 4.124 1.00 0.00 N ATOM 614 CA THR A 40 2.024 -3.615 4.879 1.00 0.00 C ATOM 615 C THR A 40 2.220 -4.670 3.795 1.00 0.00 C ATOM 616 O THR A 40 1.373 -4.786 2.908 1.00 0.00 O ATOM 617 CB THR A 40 0.758 -3.942 5.691 1.00 0.00 C ATOM 618 OG1 THR A 40 0.486 -2.933 6.642 1.00 0.00 O ATOM 619 CG2 THR A 40 0.904 -5.248 6.475 1.00 0.00 C ATOM 0 H THR A 40 1.204 -2.538 3.315 1.00 0.00 H new ATOM 0 HA THR A 40 2.859 -3.552 5.577 1.00 0.00 H new ATOM 0 HB THR A 40 -0.047 -4.023 4.961 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.324 -3.165 7.143 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.012 -5.441 7.034 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.086 -6.070 5.782 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.741 -5.165 7.168 1.00 0.00 H new ATOM 627 N VAL A 41 3.293 -5.448 3.849 1.00 0.00 N ATOM 628 CA VAL A 41 3.398 -6.687 3.084 1.00 0.00 C ATOM 629 C VAL A 41 3.222 -7.884 4.003 1.00 0.00 C ATOM 630 O VAL A 41 3.658 -7.857 5.157 1.00 0.00 O ATOM 631 CB VAL A 41 4.661 -6.754 2.192 1.00 0.00 C ATOM 632 CG1 VAL A 41 4.264 -6.832 0.731 1.00 0.00 C ATOM 633 CG2 VAL A 41 5.560 -5.503 2.260 1.00 0.00 C ATOM 0 H VAL A 41 4.112 -5.241 4.421 1.00 0.00 H new ATOM 0 HA VAL A 41 2.580 -6.710 2.364 1.00 0.00 H new ATOM 0 HB VAL A 41 5.198 -7.626 2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.160 -6.879 0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.661 -7.725 0.565 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.684 -5.948 0.464 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.420 -5.637 1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.992 -4.629 1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.903 -5.357 3.284 1.00 0.00 H new ATOM 643 N VAL A 42 2.593 -8.934 3.484 1.00 0.00 N ATOM 644 CA VAL A 42 2.542 -10.254 4.096 1.00 0.00 C ATOM 645 C VAL A 42 2.782 -11.274 2.976 1.00 0.00 C ATOM 646 O VAL A 42 2.643 -10.941 1.794 1.00 0.00 O ATOM 647 CB VAL A 42 1.243 -10.469 4.907 1.00 0.00 C ATOM 648 CG1 VAL A 42 0.809 -9.237 5.715 1.00 0.00 C ATOM 649 CG2 VAL A 42 0.073 -10.812 4.004 1.00 0.00 C ATOM 0 H VAL A 42 2.090 -8.886 2.598 1.00 0.00 H new ATOM 0 HA VAL A 42 3.321 -10.377 4.848 1.00 0.00 H new ATOM 0 HB VAL A 42 1.487 -11.286 5.585 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.109 -9.463 6.258 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.594 -8.972 6.424 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.634 -8.401 5.038 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.823 -10.956 4.608 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.093 -9.998 3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.293 -11.728 3.456 1.00 0.00 H new ATOM 659 N ALA A 43 3.087 -12.519 3.332 1.00 0.00 N ATOM 660 CA ALA A 43 3.082 -13.611 2.372 1.00 0.00 C ATOM 661 C ALA A 43 1.626 -14.014 2.147 1.00 0.00 C ATOM 662 O ALA A 43 0.914 -14.325 3.106 1.00 0.00 O ATOM 663 CB ALA A 43 3.916 -14.784 2.897 1.00 0.00 C ATOM 0 H ALA A 43 3.341 -12.794 4.281 1.00 0.00 H new ATOM 0 HA ALA A 43 3.530 -13.303 1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.903 -15.594 2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.943 -14.457 3.058 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.496 -15.137 3.839 1.00 0.00 H new ATOM 669 N ALA A 44 1.163 -14.022 0.899 1.00 0.00 N ATOM 670 CA ALA A 44 -0.061 -14.718 0.539 1.00 0.00 C ATOM 671 C ALA A 44 0.200 -16.221 0.705 1.00 0.00 C ATOM 672 O ALA A 44 0.778 -16.853 -0.179 1.00 0.00 O ATOM 673 CB ALA A 44 -0.480 -14.348 -0.889 1.00 0.00 C ATOM 0 H ALA A 44 1.623 -13.551 0.120 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.890 -14.427 1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.398 -14.876 -1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.649 -13.273 -0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.309 -14.632 -1.585 1.00 0.00 H new ATOM 708 N ILE A 48 3.166 -14.773 7.888 1.00 0.00 N ATOM 709 CA ILE A 48 4.453 -14.104 7.735 1.00 0.00 C ATOM 710 C ILE A 48 4.215 -12.630 7.349 1.00 0.00 C ATOM 711 O ILE A 48 3.840 -12.378 6.201 1.00 0.00 O ATOM 712 CB ILE A 48 5.265 -14.889 6.668 1.00 0.00 C ATOM 713 CG1 ILE A 48 5.622 -16.302 7.174 1.00 0.00 C ATOM 714 CG2 ILE A 48 6.546 -14.159 6.238 1.00 0.00 C ATOM 715 CD1 ILE A 48 6.315 -17.205 6.145 1.00 0.00 C ATOM 0 HA ILE A 48 5.026 -14.095 8.662 1.00 0.00 H new ATOM 0 HB ILE A 48 4.619 -14.966 5.794 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.270 -16.206 8.045 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.708 -16.793 7.509 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.071 -14.755 5.492 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.287 -13.190 5.812 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.190 -14.013 7.105 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.525 -18.175 6.595 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.664 -17.339 5.281 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.250 -16.743 5.826 1.00 0.00 H new ATOM 727 N PRO A 49 4.393 -11.653 8.259 1.00 0.00 N ATOM 728 CA PRO A 49 4.368 -10.239 7.915 1.00 0.00 C ATOM 729 C PRO A 49 5.775 -9.744 7.542 1.00 0.00 C ATOM 730 O PRO A 49 6.788 -10.293 7.983 1.00 0.00 O ATOM 731 CB PRO A 49 3.890 -9.564 9.194 1.00 0.00 C ATOM 732 CG PRO A 49 4.567 -10.397 10.277 1.00 0.00 C ATOM 733 CD PRO A 49 4.725 -11.797 9.670 1.00 0.00 C ATOM 0 HA PRO A 49 3.731 -10.026 7.056 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.192 -8.518 9.238 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.804 -9.586 9.284 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.534 -9.975 10.551 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.964 -10.427 11.185 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.742 -12.167 9.797 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.063 -12.512 10.157 1.00 0.00 H new ATOM 741 N ILE A 50 5.838 -8.651 6.785 1.00 0.00 N ATOM 742 CA ILE A 50 7.043 -8.160 6.132 1.00 0.00 C ATOM 743 C ILE A 50 7.117 -6.651 6.411 1.00 0.00 C ATOM 744 O ILE A 50 7.001 -5.823 5.509 1.00 0.00 O ATOM 745 CB ILE A 50 7.005 -8.489 4.616 1.00 0.00 C ATOM 746 CG1 ILE A 50 6.356 -9.812 4.169 1.00 0.00 C ATOM 747 CG2 ILE A 50 8.382 -8.256 3.973 1.00 0.00 C ATOM 748 CD1 ILE A 50 7.271 -11.008 4.297 1.00 0.00 C ATOM 0 H ILE A 50 5.023 -8.065 6.605 1.00 0.00 H new ATOM 0 HA ILE A 50 7.940 -8.643 6.519 1.00 0.00 H new ATOM 0 HB ILE A 50 6.283 -7.771 4.227 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.459 -9.986 4.763 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.037 -9.718 3.131 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.332 -8.493 2.910 1.00 0.00 H new ATOM 0 HG22 ILE A 50 8.671 -7.212 4.099 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.121 -8.897 4.453 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.747 -11.904 3.964 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.157 -10.856 3.681 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.570 -11.128 5.338 1.00 0.00 H new ATOM 760 N PHE A 51 7.300 -6.274 7.682 1.00 0.00 N ATOM 761 CA PHE A 51 7.261 -4.889 8.160 1.00 0.00 C ATOM 762 C PHE A 51 5.978 -4.135 7.803 1.00 0.00 C ATOM 763 O PHE A 51 5.029 -4.684 7.239 1.00 0.00 O ATOM 764 CB PHE A 51 8.597 -4.131 8.024 1.00 0.00 C ATOM 765 CG PHE A 51 8.899 -3.307 6.779 1.00 0.00 C ATOM 766 CD1 PHE A 51 9.238 -3.901 5.545 1.00 0.00 C ATOM 767 CD2 PHE A 51 8.977 -1.906 6.897 1.00 0.00 C ATOM 768 CE1 PHE A 51 9.555 -3.102 4.429 1.00 0.00 C ATOM 769 CE2 PHE A 51 9.349 -1.114 5.801 1.00 0.00 C ATOM 770 CZ PHE A 51 9.600 -1.702 4.551 1.00 0.00 C ATOM 0 H PHE A 51 7.485 -6.945 8.428 1.00 0.00 H new ATOM 0 HA PHE A 51 7.170 -4.955 9.244 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.674 -3.460 8.879 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.395 -4.867 8.123 1.00 0.00 H new ATOM 0 HD1 PHE A 51 9.255 -4.977 5.455 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.748 -1.436 7.842 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.764 -3.566 3.477 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.443 -0.045 5.919 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.825 -1.086 3.693 1.00 0.00 H new ATOM 780 N GLU A 52 5.883 -2.912 8.294 1.00 0.00 N ATOM 781 CA GLU A 52 4.911 -1.923 7.869 1.00 0.00 C ATOM 782 C GLU A 52 5.725 -0.670 7.568 1.00 0.00 C ATOM 783 O GLU A 52 6.561 -0.282 8.388 1.00 0.00 O ATOM 784 CB GLU A 52 3.804 -1.759 8.927 1.00 0.00 C ATOM 785 CG GLU A 52 4.261 -1.106 10.242 1.00 0.00 C ATOM 786 CD GLU A 52 3.274 -1.298 11.392 1.00 0.00 C ATOM 787 OE1 GLU A 52 2.043 -1.145 11.197 1.00 0.00 O ATOM 788 OE2 GLU A 52 3.721 -1.671 12.506 1.00 0.00 O ATOM 0 H GLU A 52 6.504 -2.569 9.027 1.00 0.00 H new ATOM 0 HA GLU A 52 4.356 -2.205 6.974 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.999 -1.160 8.501 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.387 -2.741 9.151 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.227 -1.522 10.529 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.410 -0.039 10.076 1.00 0.00 H new ATOM 795 N ASP A 53 5.589 -0.120 6.363 1.00 0.00 N ATOM 796 CA ASP A 53 6.280 1.106 5.959 1.00 0.00 C ATOM 797 C ASP A 53 5.270 2.251 5.945 1.00 0.00 C ATOM 798 O ASP A 53 4.052 2.033 5.881 1.00 0.00 O ATOM 799 CB ASP A 53 6.977 0.952 4.592 1.00 0.00 C ATOM 800 CG ASP A 53 8.240 1.829 4.433 1.00 0.00 C ATOM 801 OD1 ASP A 53 8.413 2.826 5.158 1.00 0.00 O ATOM 802 OD2 ASP A 53 9.078 1.523 3.541 1.00 0.00 O ATOM 0 H ASP A 53 4.993 -0.513 5.634 1.00 0.00 H new ATOM 0 HA ASP A 53 7.070 1.323 6.678 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.252 -0.093 4.451 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.269 1.205 3.803 1.00 0.00 H new ATOM 807 N PHE A 54 5.773 3.476 5.932 1.00 0.00 N ATOM 808 CA PHE A 54 4.994 4.694 5.826 1.00 0.00 C ATOM 809 C PHE A 54 5.643 5.575 4.776 1.00 0.00 C ATOM 810 O PHE A 54 6.820 5.417 4.448 1.00 0.00 O ATOM 811 CB PHE A 54 4.961 5.424 7.177 1.00 0.00 C ATOM 812 CG PHE A 54 3.577 5.518 7.767 1.00 0.00 C ATOM 813 CD1 PHE A 54 2.681 6.486 7.278 1.00 0.00 C ATOM 814 CD2 PHE A 54 3.188 4.650 8.803 1.00 0.00 C ATOM 815 CE1 PHE A 54 1.403 6.605 7.845 1.00 0.00 C ATOM 816 CE2 PHE A 54 1.916 4.781 9.382 1.00 0.00 C ATOM 817 CZ PHE A 54 1.032 5.767 8.910 1.00 0.00 C ATOM 0 H PHE A 54 6.775 3.653 5.998 1.00 0.00 H new ATOM 0 HA PHE A 54 3.968 4.459 5.543 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.614 4.905 7.879 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.364 6.429 7.050 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.976 7.136 6.468 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.866 3.885 9.152 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.707 7.338 7.464 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.617 4.126 10.187 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.061 5.881 9.369 1.00 0.00 H new ATOM 827 N VAL A 55 4.888 6.553 4.284 1.00 0.00 N ATOM 828 CA VAL A 55 5.427 7.587 3.418 1.00 0.00 C ATOM 829 C VAL A 55 5.091 8.957 4.025 1.00 0.00 C ATOM 830 O VAL A 55 4.399 9.017 5.044 1.00 0.00 O ATOM 831 CB VAL A 55 4.890 7.328 1.988 1.00 0.00 C ATOM 832 CG1 VAL A 55 6.012 6.734 1.131 1.00 0.00 C ATOM 833 CG2 VAL A 55 3.676 6.387 1.870 1.00 0.00 C ATOM 0 H VAL A 55 3.891 6.648 4.475 1.00 0.00 H new ATOM 0 HA VAL A 55 6.514 7.572 3.338 1.00 0.00 H new ATOM 0 HB VAL A 55 4.548 8.306 1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.641 6.549 0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.846 7.434 1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.348 5.795 1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.395 6.286 0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.934 5.408 2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.839 6.801 2.432 1.00 0.00 H new ATOM 843 N ASP A 56 5.454 10.055 3.349 1.00 0.00 N ATOM 844 CA ASP A 56 5.434 11.404 3.931 1.00 0.00 C ATOM 845 C ASP A 56 4.016 11.797 4.347 1.00 0.00 C ATOM 846 O ASP A 56 3.708 11.911 5.530 1.00 0.00 O ATOM 847 CB ASP A 56 6.019 12.430 2.932 1.00 0.00 C ATOM 848 CG ASP A 56 6.522 13.714 3.605 1.00 0.00 C ATOM 849 OD1 ASP A 56 7.506 13.619 4.378 1.00 0.00 O ATOM 850 OD2 ASP A 56 6.025 14.820 3.292 1.00 0.00 O ATOM 0 H ASP A 56 5.771 10.033 2.380 1.00 0.00 H new ATOM 0 HA ASP A 56 6.056 11.401 4.826 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.842 11.967 2.387 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.256 12.688 2.198 1.00 0.00 H new ATOM 855 N SER A 57 3.133 11.944 3.354 1.00 0.00 N ATOM 856 CA SER A 57 1.881 12.713 3.351 1.00 0.00 C ATOM 857 C SER A 57 1.526 13.049 1.918 1.00 0.00 C ATOM 858 O SER A 57 0.417 12.733 1.499 1.00 0.00 O ATOM 859 CB SER A 57 1.911 13.954 4.268 1.00 0.00 C ATOM 860 OG SER A 57 3.200 14.511 4.391 1.00 0.00 O ATOM 0 H SER A 57 3.288 11.490 2.454 1.00 0.00 H new ATOM 0 HA SER A 57 1.095 12.093 3.783 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.230 14.708 3.873 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.543 13.679 5.256 1.00 0.00 H new ATOM 0 HG SER A 57 3.163 15.294 4.980 1.00 0.00 H new ATOM 866 N SER A 58 2.480 13.426 1.077 1.00 0.00 N ATOM 867 CA SER A 58 2.208 14.079 -0.201 1.00 0.00 C ATOM 868 C SER A 58 2.792 13.254 -1.344 1.00 0.00 C ATOM 869 O SER A 58 2.922 13.716 -2.477 1.00 0.00 O ATOM 870 CB SER A 58 2.804 15.486 -0.120 1.00 0.00 C ATOM 871 OG SER A 58 4.212 15.392 0.024 1.00 0.00 O ATOM 0 H SER A 58 3.473 13.287 1.262 1.00 0.00 H new ATOM 0 HA SER A 58 1.139 14.155 -0.400 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.556 16.051 -1.019 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.376 16.026 0.724 1.00 0.00 H new ATOM 0 HG SER A 58 4.596 16.292 0.074 1.00 0.00 H new ATOM 877 N VAL A 59 3.125 12.001 -1.046 1.00 0.00 N ATOM 878 CA VAL A 59 3.762 11.089 -1.984 1.00 0.00 C ATOM 879 C VAL A 59 2.743 10.590 -3.018 1.00 0.00 C ATOM 880 O VAL A 59 1.621 10.253 -2.635 1.00 0.00 O ATOM 881 CB VAL A 59 4.361 9.941 -1.148 1.00 0.00 C ATOM 882 CG1 VAL A 59 4.907 8.822 -2.034 1.00 0.00 C ATOM 883 CG2 VAL A 59 5.492 10.467 -0.249 1.00 0.00 C ATOM 0 H VAL A 59 2.956 11.586 -0.130 1.00 0.00 H new ATOM 0 HA VAL A 59 4.552 11.580 -2.553 1.00 0.00 H new ATOM 0 HB VAL A 59 3.557 9.536 -0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.321 8.031 -1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.101 8.416 -2.646 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.689 9.219 -2.681 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.905 9.645 0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.277 10.902 -0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.097 11.228 0.424 1.00 0.00 H new ATOM 893 N GLY A 60 3.159 10.453 -4.286 1.00 0.00 N ATOM 894 CA GLY A 60 2.504 9.635 -5.312 1.00 0.00 C ATOM 895 C GLY A 60 3.382 8.511 -5.887 1.00 0.00 C ATOM 896 O GLY A 60 2.932 7.763 -6.756 1.00 0.00 O ATOM 0 H GLY A 60 3.992 10.927 -4.636 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.603 9.193 -4.886 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.186 10.284 -6.128 1.00 0.00 H new ATOM 900 N TYR A 61 4.624 8.365 -5.418 1.00 0.00 N ATOM 901 CA TYR A 61 5.572 7.365 -5.908 1.00 0.00 C ATOM 902 C TYR A 61 6.452 6.868 -4.759 1.00 0.00 C ATOM 903 O TYR A 61 7.060 7.683 -4.052 1.00 0.00 O ATOM 904 CB TYR A 61 6.464 7.964 -7.008 1.00 0.00 C ATOM 905 CG TYR A 61 7.354 6.906 -7.627 1.00 0.00 C ATOM 906 CD1 TYR A 61 8.561 6.522 -7.017 1.00 0.00 C ATOM 907 CD2 TYR A 61 6.911 6.207 -8.758 1.00 0.00 C ATOM 908 CE1 TYR A 61 9.254 5.393 -7.489 1.00 0.00 C ATOM 909 CE2 TYR A 61 7.609 5.093 -9.251 1.00 0.00 C ATOM 910 CZ TYR A 61 8.777 4.654 -8.592 1.00 0.00 C ATOM 911 OH TYR A 61 9.427 3.531 -9.008 1.00 0.00 O ATOM 0 H TYR A 61 5.004 8.950 -4.674 1.00 0.00 H new ATOM 0 HA TYR A 61 5.006 6.530 -6.321 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.841 8.416 -7.780 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.079 8.760 -6.588 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.955 7.092 -6.189 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.013 6.532 -9.262 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.166 5.087 -6.999 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.254 4.575 -10.130 1.00 0.00 H new ATOM 0 HH TYR A 61 8.959 3.149 -9.779 1.00 0.00 H new ATOM 921 N TYR A 62 6.544 5.547 -4.580 1.00 0.00 N ATOM 922 CA TYR A 62 7.277 4.902 -3.483 1.00 0.00 C ATOM 923 C TYR A 62 7.818 3.534 -3.949 1.00 0.00 C ATOM 924 O TYR A 62 7.484 3.063 -5.037 1.00 0.00 O ATOM 925 CB TYR A 62 6.307 4.833 -2.287 1.00 0.00 C ATOM 926 CG TYR A 62 6.653 3.925 -1.120 1.00 0.00 C ATOM 927 CD1 TYR A 62 7.881 4.029 -0.434 1.00 0.00 C ATOM 928 CD2 TYR A 62 5.734 2.933 -0.736 1.00 0.00 C ATOM 929 CE1 TYR A 62 8.239 3.051 0.515 1.00 0.00 C ATOM 930 CE2 TYR A 62 6.099 1.937 0.172 1.00 0.00 C ATOM 931 CZ TYR A 62 7.371 1.964 0.762 1.00 0.00 C ATOM 932 OH TYR A 62 7.740 0.893 1.503 1.00 0.00 O ATOM 0 H TYR A 62 6.100 4.878 -5.209 1.00 0.00 H new ATOM 0 HA TYR A 62 8.160 5.461 -3.173 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.191 5.844 -1.896 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.333 4.525 -2.668 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.545 4.856 -0.636 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.735 2.941 -1.147 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.173 3.132 1.051 1.00 0.00 H new ATOM 0 HE2 TYR A 62 5.404 1.148 0.419 1.00 0.00 H new ATOM 0 HH TYR A 62 8.554 1.107 2.005 1.00 0.00 H new ATOM 942 N THR A 63 8.693 2.900 -3.170 1.00 0.00 N ATOM 943 CA THR A 63 9.345 1.630 -3.481 1.00 0.00 C ATOM 944 C THR A 63 9.681 0.883 -2.179 1.00 0.00 C ATOM 945 O THR A 63 10.147 1.493 -1.210 1.00 0.00 O ATOM 946 CB THR A 63 10.630 1.906 -4.292 1.00 0.00 C ATOM 947 OG1 THR A 63 10.428 2.872 -5.310 1.00 0.00 O ATOM 948 CG2 THR A 63 11.213 0.652 -4.940 1.00 0.00 C ATOM 0 H THR A 63 8.979 3.274 -2.265 1.00 0.00 H new ATOM 0 HA THR A 63 8.675 1.007 -4.073 1.00 0.00 H new ATOM 0 HB THR A 63 11.338 2.286 -3.555 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.267 3.016 -5.796 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.114 0.914 -5.495 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.462 -0.075 -4.167 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.480 0.220 -5.622 1.00 0.00 H new ATOM 956 N VAL A 64 9.505 -0.437 -2.157 1.00 0.00 N ATOM 957 CA VAL A 64 9.757 -1.317 -1.018 1.00 0.00 C ATOM 958 C VAL A 64 10.910 -2.253 -1.385 1.00 0.00 C ATOM 959 O VAL A 64 11.103 -2.563 -2.558 1.00 0.00 O ATOM 960 CB VAL A 64 8.488 -2.128 -0.668 1.00 0.00 C ATOM 961 CG1 VAL A 64 8.469 -2.487 0.824 1.00 0.00 C ATOM 962 CG2 VAL A 64 7.169 -1.427 -1.031 1.00 0.00 C ATOM 0 H VAL A 64 9.166 -0.946 -2.973 1.00 0.00 H new ATOM 0 HA VAL A 64 10.022 -0.726 -0.141 1.00 0.00 H new ATOM 0 HB VAL A 64 8.548 -3.027 -1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.568 -3.057 1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.347 -3.086 1.065 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.478 -1.573 1.418 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.330 -2.064 -0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.100 -0.481 -0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.141 -1.238 -2.104 1.00 0.00 H new ATOM 972 N THR A 65 11.663 -2.727 -0.395 1.00 0.00 N ATOM 973 CA THR A 65 12.700 -3.754 -0.520 1.00 0.00 C ATOM 974 C THR A 65 12.486 -4.740 0.643 1.00 0.00 C ATOM 975 O THR A 65 11.470 -4.679 1.343 1.00 0.00 O ATOM 976 CB THR A 65 14.078 -3.064 -0.474 1.00 0.00 C ATOM 977 OG1 THR A 65 14.113 -1.984 -1.390 1.00 0.00 O ATOM 978 CG2 THR A 65 15.319 -3.918 -0.744 1.00 0.00 C ATOM 0 H THR A 65 11.564 -2.391 0.563 1.00 0.00 H new ATOM 0 HA THR A 65 12.649 -4.303 -1.460 1.00 0.00 H new ATOM 0 HB THR A 65 14.149 -2.766 0.572 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.992 -1.551 -1.352 1.00 0.00 H new ATOM 0 HG21 THR A 65 16.211 -3.295 -0.677 1.00 0.00 H new ATOM 0 HG22 THR A 65 15.378 -4.717 -0.005 1.00 0.00 H new ATOM 0 HG23 THR A 65 15.253 -4.351 -1.742 1.00 0.00 H new ATOM 986 N GLY A 66 13.422 -5.657 0.871 1.00 0.00 N ATOM 987 CA GLY A 66 13.266 -6.708 1.872 1.00 0.00 C ATOM 988 C GLY A 66 12.175 -7.704 1.487 1.00 0.00 C ATOM 989 O GLY A 66 11.558 -8.303 2.366 1.00 0.00 O ATOM 0 H GLY A 66 14.309 -5.693 0.368 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.212 -7.235 1.995 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.024 -6.259 2.835 1.00 0.00 H new ATOM 993 N LEU A 67 11.912 -7.833 0.187 1.00 0.00 N ATOM 994 CA LEU A 67 11.174 -8.913 -0.434 1.00 0.00 C ATOM 995 C LEU A 67 12.118 -10.104 -0.633 1.00 0.00 C ATOM 996 O LEU A 67 13.344 -9.951 -0.568 1.00 0.00 O ATOM 997 CB LEU A 67 10.640 -8.376 -1.776 1.00 0.00 C ATOM 998 CG LEU A 67 9.195 -7.852 -1.636 1.00 0.00 C ATOM 999 CD1 LEU A 67 9.029 -6.502 -2.325 1.00 0.00 C ATOM 1000 CD2 LEU A 67 8.194 -8.826 -2.256 1.00 0.00 C ATOM 0 H LEU A 67 12.230 -7.143 -0.493 1.00 0.00 H new ATOM 0 HA LEU A 67 10.339 -9.253 0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.287 -7.574 -2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.671 -9.167 -2.525 1.00 0.00 H new ATOM 0 HG LEU A 67 9.001 -7.749 -0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.001 -6.158 -2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.707 -5.777 -1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.260 -6.604 -3.385 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.184 -8.431 -2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.418 -8.952 -3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.265 -9.790 -1.753 1.00 0.00 H new ATOM 1012 N GLU A 68 11.533 -11.271 -0.896 1.00 0.00 N ATOM 1013 CA GLU A 68 12.175 -12.560 -1.100 1.00 0.00 C ATOM 1014 C GLU A 68 11.517 -13.217 -2.331 1.00 0.00 C ATOM 1015 O GLU A 68 10.345 -13.599 -2.253 1.00 0.00 O ATOM 1016 CB GLU A 68 12.068 -13.391 0.190 1.00 0.00 C ATOM 1017 CG GLU A 68 13.336 -14.180 0.545 1.00 0.00 C ATOM 1018 CD GLU A 68 13.376 -15.622 0.047 1.00 0.00 C ATOM 1019 OE1 GLU A 68 13.098 -15.889 -1.140 1.00 0.00 O ATOM 1020 OE2 GLU A 68 13.651 -16.520 0.884 1.00 0.00 O ATOM 0 H GLU A 68 10.519 -11.341 -0.977 1.00 0.00 H new ATOM 0 HA GLU A 68 13.242 -12.469 -1.306 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.826 -12.724 1.018 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.237 -14.089 0.090 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.198 -13.650 0.139 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.447 -14.186 1.629 1.00 0.00 H new ATOM 1027 N PRO A 69 12.189 -13.239 -3.497 1.00 0.00 N ATOM 1028 CA PRO A 69 11.536 -13.519 -4.771 1.00 0.00 C ATOM 1029 C PRO A 69 11.071 -14.977 -4.882 1.00 0.00 C ATOM 1030 O PRO A 69 11.779 -15.929 -4.533 1.00 0.00 O ATOM 1031 CB PRO A 69 12.555 -13.143 -5.855 1.00 0.00 C ATOM 1032 CG PRO A 69 13.902 -13.236 -5.142 1.00 0.00 C ATOM 1033 CD PRO A 69 13.566 -12.820 -3.713 1.00 0.00 C ATOM 0 HA PRO A 69 10.620 -12.938 -4.878 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.505 -13.825 -6.704 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.376 -12.139 -6.241 1.00 0.00 H new ATOM 0 HG2 PRO A 69 14.311 -14.246 -5.182 1.00 0.00 H new ATOM 0 HG3 PRO A 69 14.642 -12.574 -5.591 1.00 0.00 H new ATOM 0 HD2 PRO A 69 14.237 -13.296 -2.998 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.673 -11.743 -3.583 1.00 0.00 H new ATOM 1041 N GLY A 70 9.890 -15.157 -5.461 1.00 0.00 N ATOM 1042 CA GLY A 70 9.285 -16.427 -5.809 1.00 0.00 C ATOM 1043 C GLY A 70 8.204 -16.853 -4.824 1.00 0.00 C ATOM 1044 O GLY A 70 7.489 -17.819 -5.102 1.00 0.00 O ATOM 0 H GLY A 70 9.296 -14.367 -5.714 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.854 -16.358 -6.808 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.058 -17.194 -5.848 1.00 0.00 H new ATOM 1048 N ILE A 71 8.043 -16.148 -3.700 1.00 0.00 N ATOM 1049 CA ILE A 71 6.831 -16.240 -2.897 1.00 0.00 C ATOM 1050 C ILE A 71 5.849 -15.202 -3.431 1.00 0.00 C ATOM 1051 O ILE A 71 6.204 -14.262 -4.147 1.00 0.00 O ATOM 1052 CB ILE A 71 7.161 -16.191 -1.382 1.00 0.00 C ATOM 1053 CG1 ILE A 71 7.380 -17.623 -0.837 1.00 0.00 C ATOM 1054 CG2 ILE A 71 6.074 -15.577 -0.474 1.00 0.00 C ATOM 1055 CD1 ILE A 71 8.260 -18.555 -1.679 1.00 0.00 C ATOM 0 H ILE A 71 8.743 -15.506 -3.329 1.00 0.00 H new ATOM 0 HA ILE A 71 6.332 -17.205 -2.991 1.00 0.00 H new ATOM 0 HB ILE A 71 8.045 -15.554 -1.341 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.821 -17.545 0.157 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.404 -18.094 -0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.413 -15.595 0.562 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.886 -14.547 -0.777 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.154 -16.155 -0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 71 8.334 -19.526 -1.189 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.817 -18.680 -2.667 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.255 -18.122 -1.780 1.00 0.00 H new ATOM 1067 N ASP A 72 4.583 -15.449 -3.128 1.00 0.00 N ATOM 1068 CA ASP A 72 3.439 -14.659 -3.520 1.00 0.00 C ATOM 1069 C ASP A 72 3.088 -13.770 -2.335 1.00 0.00 C ATOM 1070 O ASP A 72 3.032 -14.260 -1.206 1.00 0.00 O ATOM 1071 CB ASP A 72 2.321 -15.642 -3.875 1.00 0.00 C ATOM 1072 CG ASP A 72 1.132 -14.976 -4.542 1.00 0.00 C ATOM 1073 OD1 ASP A 72 1.330 -13.959 -5.239 1.00 0.00 O ATOM 1074 OD2 ASP A 72 0.031 -15.571 -4.474 1.00 0.00 O ATOM 0 H ASP A 72 4.317 -16.258 -2.567 1.00 0.00 H new ATOM 0 HA ASP A 72 3.618 -14.019 -4.384 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.718 -16.411 -4.538 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.986 -16.145 -2.968 1.00 0.00 H new ATOM 1079 N TYR A 73 2.933 -12.465 -2.546 1.00 0.00 N ATOM 1080 CA TYR A 73 2.804 -11.474 -1.485 1.00 0.00 C ATOM 1081 C TYR A 73 1.466 -10.765 -1.638 1.00 0.00 C ATOM 1082 O TYR A 73 1.139 -10.303 -2.732 1.00 0.00 O ATOM 1083 CB TYR A 73 3.951 -10.453 -1.558 1.00 0.00 C ATOM 1084 CG TYR A 73 5.286 -10.909 -0.999 1.00 0.00 C ATOM 1085 CD1 TYR A 73 6.065 -11.870 -1.672 1.00 0.00 C ATOM 1086 CD2 TYR A 73 5.797 -10.290 0.159 1.00 0.00 C ATOM 1087 CE1 TYR A 73 7.318 -12.255 -1.160 1.00 0.00 C ATOM 1088 CE2 TYR A 73 7.082 -10.612 0.625 1.00 0.00 C ATOM 1089 CZ TYR A 73 7.826 -11.632 0.000 1.00 0.00 C ATOM 1090 OH TYR A 73 9.035 -11.983 0.510 1.00 0.00 O ATOM 0 H TYR A 73 2.893 -12.060 -3.481 1.00 0.00 H new ATOM 0 HA TYR A 73 2.853 -11.972 -0.516 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.094 -10.171 -2.601 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.644 -9.554 -1.024 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.699 -12.314 -2.586 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.198 -9.565 0.690 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.890 -13.026 -1.654 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.501 -10.077 1.464 1.00 0.00 H new ATOM 0 HH TYR A 73 9.221 -11.448 1.310 1.00 0.00 H new ATOM 1100 N ASP A 74 0.732 -10.609 -0.531 1.00 0.00 N ATOM 1101 CA ASP A 74 -0.332 -9.614 -0.433 1.00 0.00 C ATOM 1102 C ASP A 74 0.380 -8.326 -0.043 1.00 0.00 C ATOM 1103 O ASP A 74 0.966 -8.253 1.042 1.00 0.00 O ATOM 1104 CB ASP A 74 -1.358 -9.924 0.680 1.00 0.00 C ATOM 1105 CG ASP A 74 -2.650 -10.651 0.298 1.00 0.00 C ATOM 1106 OD1 ASP A 74 -2.914 -10.947 -0.887 1.00 0.00 O ATOM 1107 OD2 ASP A 74 -3.464 -10.869 1.231 1.00 0.00 O ATOM 0 H ASP A 74 0.860 -11.166 0.314 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.882 -9.577 -1.373 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.853 -10.521 1.440 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.635 -8.980 1.149 1.00 0.00 H new ATOM 1112 N ILE A 75 0.336 -7.313 -0.906 1.00 0.00 N ATOM 1113 CA ILE A 75 0.867 -5.995 -0.609 1.00 0.00 C ATOM 1114 C ILE A 75 -0.334 -5.088 -0.364 1.00 0.00 C ATOM 1115 O ILE A 75 -1.053 -4.732 -1.300 1.00 0.00 O ATOM 1116 CB ILE A 75 1.820 -5.494 -1.711 1.00 0.00 C ATOM 1117 CG1 ILE A 75 2.920 -6.513 -2.091 1.00 0.00 C ATOM 1118 CG2 ILE A 75 2.388 -4.130 -1.267 1.00 0.00 C ATOM 1119 CD1 ILE A 75 2.737 -7.124 -3.474 1.00 0.00 C ATOM 0 H ILE A 75 -0.074 -7.390 -1.837 1.00 0.00 H new ATOM 0 HA ILE A 75 1.495 -6.009 0.282 1.00 0.00 H new ATOM 0 HB ILE A 75 1.257 -5.372 -2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.891 -6.019 -2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.935 -7.312 -1.350 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.067 -3.753 -2.031 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.570 -3.423 -1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.929 -4.249 -0.328 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.545 -7.828 -3.671 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.782 -7.647 -3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.753 -6.335 -4.225 1.00 0.00 H new ATOM 1131 N SER A 76 -0.584 -4.761 0.900 1.00 0.00 N ATOM 1132 CA SER A 76 -1.604 -3.823 1.340 1.00 0.00 C ATOM 1133 C SER A 76 -1.037 -2.425 1.483 1.00 0.00 C ATOM 1134 O SER A 76 0.115 -2.247 1.873 1.00 0.00 O ATOM 1135 CB SER A 76 -2.219 -4.301 2.650 1.00 0.00 C ATOM 1136 OG SER A 76 -2.532 -5.681 2.597 1.00 0.00 O ATOM 0 H SER A 76 -0.057 -5.161 1.677 1.00 0.00 H new ATOM 0 HA SER A 76 -2.386 -3.781 0.582 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.525 -4.114 3.470 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.122 -3.729 2.861 1.00 0.00 H new ATOM 0 HG SER A 76 -2.923 -5.961 3.451 1.00 0.00 H new ATOM 1142 N VAL A 77 -1.859 -1.433 1.167 1.00 0.00 N ATOM 1143 CA VAL A 77 -1.511 -0.035 1.138 1.00 0.00 C ATOM 1144 C VAL A 77 -2.796 0.651 1.608 1.00 0.00 C ATOM 1145 O VAL A 77 -3.776 0.740 0.860 1.00 0.00 O ATOM 1146 CB VAL A 77 -1.009 0.351 -0.274 1.00 0.00 C ATOM 1147 CG1 VAL A 77 -0.458 1.790 -0.303 1.00 0.00 C ATOM 1148 CG2 VAL A 77 0.016 -0.653 -0.863 1.00 0.00 C ATOM 0 H VAL A 77 -2.833 -1.599 0.913 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.682 0.264 1.779 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.884 0.304 -0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.114 2.028 -1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.245 2.487 -0.014 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.375 1.875 0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.324 -0.319 -1.854 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.888 -0.708 -0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.443 -1.639 -0.939 1.00 0.00 H new ATOM 1158 N ILE A 78 -2.858 0.988 2.899 1.00 0.00 N ATOM 1159 CA ILE A 78 -4.039 1.563 3.531 1.00 0.00 C ATOM 1160 C ILE A 78 -3.826 3.064 3.653 1.00 0.00 C ATOM 1161 O ILE A 78 -2.809 3.540 4.163 1.00 0.00 O ATOM 1162 CB ILE A 78 -4.350 0.892 4.887 1.00 0.00 C ATOM 1163 CG1 ILE A 78 -4.745 -0.577 4.621 1.00 0.00 C ATOM 1164 CG2 ILE A 78 -5.484 1.636 5.627 1.00 0.00 C ATOM 1165 CD1 ILE A 78 -5.280 -1.334 5.836 1.00 0.00 C ATOM 0 H ILE A 78 -2.075 0.865 3.541 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.919 1.377 2.915 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.468 0.931 5.526 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.502 -0.597 3.837 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.874 -1.107 4.236 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.683 1.143 6.578 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.184 2.668 5.809 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.387 1.623 5.016 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.529 -2.355 5.548 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.520 -1.353 6.617 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.173 -0.835 6.211 1.00 0.00 H new ATOM 1177 N THR A 79 -4.830 3.795 3.194 1.00 0.00 N ATOM 1178 CA THR A 79 -4.895 5.237 3.194 1.00 0.00 C ATOM 1179 C THR A 79 -5.614 5.638 4.494 1.00 0.00 C ATOM 1180 O THR A 79 -6.672 5.084 4.805 1.00 0.00 O ATOM 1181 CB THR A 79 -5.619 5.601 1.883 1.00 0.00 C ATOM 1182 OG1 THR A 79 -4.901 5.101 0.769 1.00 0.00 O ATOM 1183 CG2 THR A 79 -5.779 7.092 1.655 1.00 0.00 C ATOM 0 H THR A 79 -5.664 3.368 2.791 1.00 0.00 H new ATOM 0 HA THR A 79 -3.945 5.772 3.200 1.00 0.00 H new ATOM 0 HB THR A 79 -6.608 5.154 1.981 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.511 4.607 0.182 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.298 7.262 0.712 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.358 7.525 2.471 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.796 7.562 1.619 1.00 0.00 H new ATOM 1191 N LEU A 80 -4.997 6.510 5.301 1.00 0.00 N ATOM 1192 CA LEU A 80 -5.494 6.974 6.585 1.00 0.00 C ATOM 1193 C LEU A 80 -5.557 8.499 6.557 1.00 0.00 C ATOM 1194 O LEU A 80 -4.559 9.176 6.275 1.00 0.00 O ATOM 1195 CB LEU A 80 -4.610 6.535 7.751 1.00 0.00 C ATOM 1196 CG LEU A 80 -3.091 6.493 7.498 1.00 0.00 C ATOM 1197 CD1 LEU A 80 -2.340 7.028 8.718 1.00 0.00 C ATOM 1198 CD2 LEU A 80 -2.652 5.070 7.175 1.00 0.00 C ATOM 0 H LEU A 80 -4.098 6.925 5.058 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.479 6.535 6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.796 7.207 8.589 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.929 5.541 8.063 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.855 7.127 6.643 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.267 6.994 8.529 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.642 8.058 8.909 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.575 6.414 9.588 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.577 5.052 6.998 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.893 4.416 8.013 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.172 4.722 6.283 1.00 0.00 H new ATOM 1210 N ILE A 81 -6.734 9.052 6.814 1.00 0.00 N ATOM 1211 CA ILE A 81 -7.054 10.464 6.641 1.00 0.00 C ATOM 1212 C ILE A 81 -7.377 11.088 8.010 1.00 0.00 C ATOM 1213 O ILE A 81 -7.117 10.477 9.042 1.00 0.00 O ATOM 1214 CB ILE A 81 -8.179 10.636 5.588 1.00 0.00 C ATOM 1215 CG1 ILE A 81 -9.579 10.308 6.136 1.00 0.00 C ATOM 1216 CG2 ILE A 81 -7.934 9.787 4.327 1.00 0.00 C ATOM 1217 CD1 ILE A 81 -10.691 11.122 5.466 1.00 0.00 C ATOM 0 H ILE A 81 -7.524 8.509 7.162 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.195 11.006 6.246 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.149 11.694 5.327 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.779 9.246 5.995 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.596 10.495 7.210 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.749 9.942 3.620 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.992 10.084 3.866 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.887 8.733 4.601 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.654 10.845 5.896 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.513 12.185 5.629 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.698 10.916 4.396 1.00 0.00 H new ATOM 1229 N ASN A 82 -7.989 12.281 8.025 1.00 0.00 N ATOM 1230 CA ASN A 82 -8.777 12.772 9.157 1.00 0.00 C ATOM 1231 C ASN A 82 -9.623 11.657 9.796 1.00 0.00 C ATOM 1232 O ASN A 82 -10.704 11.340 9.285 1.00 0.00 O ATOM 1233 CB ASN A 82 -9.680 13.941 8.719 1.00 0.00 C ATOM 1234 CG ASN A 82 -10.551 14.402 9.886 1.00 0.00 C ATOM 1235 OD1 ASN A 82 -10.184 15.334 10.594 1.00 0.00 O ATOM 1236 ND2 ASN A 82 -11.684 13.762 10.112 1.00 0.00 N ATOM 0 H ASN A 82 -7.949 12.935 7.243 1.00 0.00 H new ATOM 0 HA ASN A 82 -8.075 13.126 9.912 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -9.067 14.770 8.364 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -10.310 13.630 7.886 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -12.280 14.039 10.892 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -11.964 12.990 9.506 1.00 0.00 H new ATOM 1243 N GLY A 83 -9.133 11.104 10.909 1.00 0.00 N ATOM 1244 CA GLY A 83 -9.819 10.158 11.780 1.00 0.00 C ATOM 1245 C GLY A 83 -10.524 9.023 11.043 1.00 0.00 C ATOM 1246 O GLY A 83 -11.578 8.577 11.506 1.00 0.00 O ATOM 0 H GLY A 83 -8.193 11.320 11.241 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.095 9.731 12.474 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.553 10.699 12.378 1.00 0.00 H new ATOM 1250 N GLY A 84 -10.014 8.579 9.893 1.00 0.00 N ATOM 1251 CA GLY A 84 -10.734 7.675 9.017 1.00 0.00 C ATOM 1252 C GLY A 84 -9.754 6.822 8.224 1.00 0.00 C ATOM 1253 O GLY A 84 -8.711 7.315 7.796 1.00 0.00 O ATOM 0 H GLY A 84 -9.090 8.840 9.549 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.392 7.035 9.604 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.367 8.244 8.336 1.00 0.00 H new ATOM 1257 N GLU A 85 -10.119 5.570 7.973 1.00 0.00 N ATOM 1258 CA GLU A 85 -9.387 4.630 7.129 1.00 0.00 C ATOM 1259 C GLU A 85 -10.181 4.413 5.849 1.00 0.00 C ATOM 1260 O GLU A 85 -11.414 4.292 5.888 1.00 0.00 O ATOM 1261 CB GLU A 85 -9.230 3.261 7.809 1.00 0.00 C ATOM 1262 CG GLU A 85 -8.119 3.197 8.860 1.00 0.00 C ATOM 1263 CD GLU A 85 -7.846 1.731 9.220 1.00 0.00 C ATOM 1264 OE1 GLU A 85 -8.767 1.053 9.721 1.00 0.00 O ATOM 1265 OE2 GLU A 85 -6.735 1.214 8.939 1.00 0.00 O ATOM 0 H GLU A 85 -10.968 5.165 8.368 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.399 5.048 6.936 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.175 2.994 8.281 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.033 2.510 7.044 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.212 3.664 8.476 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.412 3.754 9.750 1.00 0.00 H new ATOM 1272 N SER A 86 -9.486 4.284 4.724 1.00 0.00 N ATOM 1273 CA SER A 86 -10.092 3.851 3.480 1.00 0.00 C ATOM 1274 C SER A 86 -10.131 2.322 3.418 1.00 0.00 C ATOM 1275 O SER A 86 -9.767 1.628 4.374 1.00 0.00 O ATOM 1276 CB SER A 86 -9.364 4.465 2.284 1.00 0.00 C ATOM 1277 OG SER A 86 -8.797 5.734 2.568 1.00 0.00 O ATOM 0 H SER A 86 -8.487 4.478 4.654 1.00 0.00 H new ATOM 0 HA SER A 86 -11.122 4.205 3.438 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.576 3.786 1.959 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.062 4.564 1.453 1.00 0.00 H new ATOM 0 HG SER A 86 -9.047 6.369 1.865 1.00 0.00 H new ATOM 1283 N ALA A 87 -10.609 1.792 2.294 1.00 0.00 N ATOM 1284 CA ALA A 87 -10.620 0.360 2.038 1.00 0.00 C ATOM 1285 C ALA A 87 -9.174 -0.147 1.957 1.00 0.00 C ATOM 1286 O ALA A 87 -8.299 0.611 1.521 1.00 0.00 O ATOM 1287 CB ALA A 87 -11.351 0.092 0.720 1.00 0.00 C ATOM 0 H ALA A 87 -11.000 2.349 1.534 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.136 -0.163 2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.363 -0.980 0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.375 0.459 0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.837 0.605 -0.092 1.00 0.00 H new ATOM 1293 N PRO A 88 -8.907 -1.417 2.304 1.00 0.00 N ATOM 1294 CA PRO A 88 -7.617 -2.034 2.075 1.00 0.00 C ATOM 1295 C PRO A 88 -7.416 -2.191 0.568 1.00 0.00 C ATOM 1296 O PRO A 88 -8.013 -3.062 -0.071 1.00 0.00 O ATOM 1297 CB PRO A 88 -7.641 -3.358 2.845 1.00 0.00 C ATOM 1298 CG PRO A 88 -9.119 -3.739 2.844 1.00 0.00 C ATOM 1299 CD PRO A 88 -9.840 -2.390 2.857 1.00 0.00 C ATOM 0 HA PRO A 88 -6.772 -1.444 2.430 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.030 -4.118 2.358 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.257 -3.241 3.858 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.381 -4.325 1.963 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.378 -4.340 3.715 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.753 -2.433 2.264 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -10.131 -2.115 3.871 1.00 0.00 H new ATOM 1307 N THR A 89 -6.592 -1.333 -0.023 1.00 0.00 N ATOM 1308 CA THR A 89 -6.179 -1.496 -1.401 1.00 0.00 C ATOM 1309 C THR A 89 -5.004 -2.469 -1.328 1.00 0.00 C ATOM 1310 O THR A 89 -3.890 -2.090 -0.952 1.00 0.00 O ATOM 1311 CB THR A 89 -5.840 -0.135 -2.036 1.00 0.00 C ATOM 1312 OG1 THR A 89 -6.689 0.887 -1.541 1.00 0.00 O ATOM 1313 CG2 THR A 89 -6.043 -0.188 -3.550 1.00 0.00 C ATOM 0 H THR A 89 -6.198 -0.514 0.439 1.00 0.00 H new ATOM 0 HA THR A 89 -6.958 -1.894 -2.051 1.00 0.00 H new ATOM 0 HB THR A 89 -4.801 0.081 -1.786 1.00 0.00 H new ATOM 0 HG1 THR A 89 -6.451 1.741 -1.959 1.00 0.00 H new ATOM 0 HG21 THR A 89 -5.799 0.782 -3.984 1.00 0.00 H new ATOM 0 HG22 THR A 89 -5.393 -0.951 -3.978 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.082 -0.433 -3.769 1.00 0.00 H new ATOM 1321 N THR A 90 -5.293 -3.742 -1.581 1.00 0.00 N ATOM 1322 CA THR A 90 -4.357 -4.843 -1.464 1.00 0.00 C ATOM 1323 C THR A 90 -4.312 -5.520 -2.827 1.00 0.00 C ATOM 1324 O THR A 90 -5.352 -5.869 -3.387 1.00 0.00 O ATOM 1325 CB THR A 90 -4.778 -5.773 -0.312 1.00 0.00 C ATOM 1326 OG1 THR A 90 -4.742 -5.065 0.919 1.00 0.00 O ATOM 1327 CG2 THR A 90 -3.856 -6.991 -0.177 1.00 0.00 C ATOM 0 H THR A 90 -6.220 -4.040 -1.884 1.00 0.00 H new ATOM 0 HA THR A 90 -3.350 -4.515 -1.206 1.00 0.00 H new ATOM 0 HB THR A 90 -5.786 -6.118 -0.543 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.039 -5.439 1.491 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.196 -7.615 0.650 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.879 -7.569 -1.101 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.837 -6.656 0.017 1.00 0.00 H new ATOM 1335 N LEU A 91 -3.106 -5.664 -3.368 1.00 0.00 N ATOM 1336 CA LEU A 91 -2.830 -6.311 -4.643 1.00 0.00 C ATOM 1337 C LEU A 91 -1.913 -7.494 -4.342 1.00 0.00 C ATOM 1338 O LEU A 91 -1.045 -7.371 -3.475 1.00 0.00 O ATOM 1339 CB LEU A 91 -2.147 -5.311 -5.593 1.00 0.00 C ATOM 1340 CG LEU A 91 -3.043 -4.663 -6.654 1.00 0.00 C ATOM 1341 CD1 LEU A 91 -2.296 -3.500 -7.320 1.00 0.00 C ATOM 1342 CD2 LEU A 91 -3.432 -5.687 -7.719 1.00 0.00 C ATOM 0 H LEU A 91 -2.262 -5.319 -2.911 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.744 -6.652 -5.130 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.700 -4.519 -4.992 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.331 -5.825 -6.101 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.946 -4.293 -6.169 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.935 -3.041 -8.074 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.033 -2.758 -6.567 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.388 -3.874 -7.793 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.068 -5.212 -8.466 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.533 -6.071 -8.200 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.973 -6.510 -7.252 1.00 0.00 H new ATOM 1354 N THR A 92 -2.081 -8.612 -5.047 1.00 0.00 N ATOM 1355 CA THR A 92 -1.277 -9.813 -4.835 1.00 0.00 C ATOM 1356 C THR A 92 -0.209 -9.857 -5.932 1.00 0.00 C ATOM 1357 O THR A 92 -0.564 -9.924 -7.111 1.00 0.00 O ATOM 1358 CB THR A 92 -2.152 -11.076 -4.873 1.00 0.00 C ATOM 1359 OG1 THR A 92 -3.393 -10.869 -4.219 1.00 0.00 O ATOM 1360 CG2 THR A 92 -1.405 -12.227 -4.198 1.00 0.00 C ATOM 0 H THR A 92 -2.780 -8.710 -5.783 1.00 0.00 H new ATOM 0 HA THR A 92 -0.808 -9.782 -3.852 1.00 0.00 H new ATOM 0 HB THR A 92 -2.357 -11.318 -5.916 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.259 -10.892 -3.248 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.022 -13.125 -4.223 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.470 -12.414 -4.727 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.189 -11.963 -3.163 1.00 0.00 H new ATOM 1368 N GLN A 93 1.066 -9.653 -5.601 1.00 0.00 N ATOM 1369 CA GLN A 93 2.181 -9.850 -6.525 1.00 0.00 C ATOM 1370 C GLN A 93 2.997 -11.096 -6.153 1.00 0.00 C ATOM 1371 O GLN A 93 3.543 -11.126 -5.050 1.00 0.00 O ATOM 1372 CB GLN A 93 3.007 -8.551 -6.571 1.00 0.00 C ATOM 1373 CG GLN A 93 3.894 -8.396 -7.806 1.00 0.00 C ATOM 1374 CD GLN A 93 3.128 -8.595 -9.108 1.00 0.00 C ATOM 1375 OE1 GLN A 93 2.123 -7.930 -9.360 1.00 0.00 O ATOM 1376 NE2 GLN A 93 3.564 -9.544 -9.918 1.00 0.00 N ATOM 0 H GLN A 93 1.356 -9.343 -4.674 1.00 0.00 H new ATOM 0 HA GLN A 93 1.817 -10.049 -7.533 1.00 0.00 H new ATOM 0 HB2 GLN A 93 2.325 -7.702 -6.523 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.636 -8.506 -5.682 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.345 -7.404 -7.802 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.710 -9.117 -7.755 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.401 -10.075 -9.677 1.00 0.00 H new ATOM 0 HE22 GLN A 93 3.064 -9.745 -10.784 1.00 0.00 H new ATOM 1385 N GLN A 94 3.177 -12.073 -7.057 1.00 0.00 N ATOM 1386 CA GLN A 94 4.400 -12.878 -7.010 1.00 0.00 C ATOM 1387 C GLN A 94 5.522 -12.007 -7.574 1.00 0.00 C ATOM 1388 O GLN A 94 5.328 -11.352 -8.601 1.00 0.00 O ATOM 1389 CB GLN A 94 4.287 -14.206 -7.778 1.00 0.00 C ATOM 1390 CG GLN A 94 5.334 -15.198 -7.228 1.00 0.00 C ATOM 1391 CD GLN A 94 5.491 -16.501 -8.009 1.00 0.00 C ATOM 1392 OE1 GLN A 94 6.540 -16.774 -8.595 1.00 0.00 O ATOM 1393 NE2 GLN A 94 4.482 -17.356 -8.014 1.00 0.00 N ATOM 0 H GLN A 94 2.520 -12.315 -7.798 1.00 0.00 H new ATOM 0 HA GLN A 94 4.599 -13.171 -5.979 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.284 -14.619 -7.669 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.450 -14.040 -8.843 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.301 -14.696 -7.198 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.069 -15.443 -6.199 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.616 -17.125 -7.527 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.570 -18.246 -8.504 1.00 0.00 H new ATOM 1402 N THR A 95 6.666 -11.980 -6.901 1.00 0.00 N ATOM 1403 CA THR A 95 7.840 -11.197 -7.265 1.00 0.00 C ATOM 1404 C THR A 95 8.920 -12.173 -7.704 1.00 0.00 C ATOM 1405 O THR A 95 9.731 -11.832 -8.589 1.00 0.00 O ATOM 1406 CB THR A 95 8.244 -10.332 -6.061 1.00 0.00 C ATOM 1407 OG1 THR A 95 7.118 -9.577 -5.640 1.00 0.00 O ATOM 1408 CG2 THR A 95 9.386 -9.361 -6.372 1.00 0.00 C ATOM 1409 OXT THR A 95 8.924 -13.328 -7.223 1.00 0.00 O ATOM 0 H THR A 95 6.807 -12.526 -6.051 1.00 0.00 H new ATOM 0 HA THR A 95 7.654 -10.512 -8.092 1.00 0.00 H new ATOM 0 HB THR A 95 8.593 -11.011 -5.284 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.420 -8.732 -5.246 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.623 -8.780 -5.480 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.267 -9.923 -6.684 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.083 -8.688 -7.174 1.00 0.00 H new