USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=26 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 USER MOD Set 1.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 8 GLN : amide:sc= -0.303 X(o=-0.19,f=-0.56) USER MOD Set 2.2: A 89 THR OG1 : rot 180:sc= 0.117 USER MOD Set 3.1: A 31 SER OG : rot 72:sc= 1.13 USER MOD Set 3.2: A 32 SER OG : rot 180:sc= 0.984 USER MOD Set 4.1: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 20 SER OG : rot 51:sc= 0.609 USER MOD Set 4.3: A 21 SER OG : rot 180:sc= 0.612 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0775 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0153 K(o=-0.015,f=-0.59) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 132:sc= 1.78 USER MOD Single : A 40 THR OG1 : rot -100:sc= 0.375 USER MOD Single : A 57 SER OG : rot -71:sc= 0.41 USER MOD Single : A 58 SER OG : rot -83:sc= 0.048 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 71:sc= 0.0402 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 15:sc= 1.38 USER MOD Single : A 79 THR OG1 : rot 160:sc=-0.00629 USER MOD Single : A 82 ASN : amide:sc= -0.0417 X(o=-0.042,f=0) USER MOD Single : A 86 SER OG : rot -118:sc= 0.878 USER MOD Single : A 92 THR OG1 : rot -109:sc= 1.32 USER MOD Single : A 93 GLN : amide:sc= 0.718 K(o=0.72,f=0) USER MOD Single : A 94 GLN :FLIP amide:sc= -1.07 F(o=-2!,f=-1.1) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N VAL A 6 -14.963 6.399 2.264 1.00 0.00 N ATOM 78 CA VAL A 6 -13.714 7.150 2.387 1.00 0.00 C ATOM 79 C VAL A 6 -12.899 6.925 1.099 1.00 0.00 C ATOM 80 O VAL A 6 -12.779 5.784 0.650 1.00 0.00 O ATOM 81 CB VAL A 6 -12.949 6.675 3.642 1.00 0.00 C ATOM 82 CG1 VAL A 6 -11.632 7.440 3.828 1.00 0.00 C ATOM 83 CG2 VAL A 6 -13.753 6.856 4.938 1.00 0.00 C ATOM 0 HA VAL A 6 -13.902 8.217 2.506 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.765 5.615 3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -11.123 7.077 4.721 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.994 7.283 2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.842 8.504 3.937 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -13.163 6.504 5.784 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.990 7.911 5.075 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.677 6.281 4.876 1.00 0.00 H new ATOM 93 N PRO A 7 -12.325 7.973 0.481 1.00 0.00 N ATOM 94 CA PRO A 7 -11.546 7.830 -0.744 1.00 0.00 C ATOM 95 C PRO A 7 -10.204 7.143 -0.481 1.00 0.00 C ATOM 96 O PRO A 7 -9.453 7.550 0.410 1.00 0.00 O ATOM 97 CB PRO A 7 -11.400 9.234 -1.331 1.00 0.00 C ATOM 98 CG PRO A 7 -11.827 10.210 -0.233 1.00 0.00 C ATOM 99 CD PRO A 7 -12.567 9.371 0.802 1.00 0.00 C ATOM 0 HA PRO A 7 -12.047 7.181 -1.462 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.371 9.421 -1.638 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.023 9.351 -2.218 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -10.962 10.704 0.210 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.470 10.993 -0.634 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -12.213 9.601 1.807 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -13.635 9.590 0.782 1.00 0.00 H new ATOM 107 N GLN A 8 -9.918 6.099 -1.260 1.00 0.00 N ATOM 108 CA GLN A 8 -8.708 5.282 -1.252 1.00 0.00 C ATOM 109 C GLN A 8 -7.822 5.632 -2.448 1.00 0.00 C ATOM 110 O GLN A 8 -8.207 6.418 -3.315 1.00 0.00 O ATOM 111 CB GLN A 8 -9.112 3.796 -1.295 1.00 0.00 C ATOM 112 CG GLN A 8 -9.591 3.363 -2.690 1.00 0.00 C ATOM 113 CD GLN A 8 -10.494 2.151 -2.603 1.00 0.00 C ATOM 114 OE1 GLN A 8 -11.640 2.272 -2.194 1.00 0.00 O ATOM 115 NE2 GLN A 8 -10.015 0.981 -2.959 1.00 0.00 N ATOM 0 H GLN A 8 -10.579 5.779 -1.968 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.138 5.478 -0.344 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.262 3.182 -0.998 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.905 3.616 -0.569 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.125 4.185 -3.166 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.731 3.135 -3.319 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.056 0.904 -3.297 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.602 0.149 -2.897 1.00 0.00 H new ATOM 124 N LEU A 9 -6.665 4.979 -2.530 1.00 0.00 N ATOM 125 CA LEU A 9 -5.746 5.078 -3.651 1.00 0.00 C ATOM 126 C LEU A 9 -6.221 4.191 -4.805 1.00 0.00 C ATOM 127 O LEU A 9 -5.776 3.062 -4.974 1.00 0.00 O ATOM 128 CB LEU A 9 -4.330 4.728 -3.169 1.00 0.00 C ATOM 129 CG LEU A 9 -3.773 5.745 -2.152 1.00 0.00 C ATOM 130 CD1 LEU A 9 -2.429 5.251 -1.614 1.00 0.00 C ATOM 131 CD2 LEU A 9 -3.665 7.153 -2.743 1.00 0.00 C ATOM 0 H LEU A 9 -6.336 4.351 -1.797 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.722 6.097 -4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.341 3.737 -2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.661 4.678 -4.028 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.476 5.820 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.038 5.971 -0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.565 4.287 -1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.725 5.142 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.268 7.834 -1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.998 7.136 -3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.652 7.493 -3.056 1.00 0.00 H new ATOM 143 N THR A 10 -7.141 4.703 -5.615 1.00 0.00 N ATOM 144 CA THR A 10 -7.685 4.055 -6.810 1.00 0.00 C ATOM 145 C THR A 10 -6.644 3.844 -7.923 1.00 0.00 C ATOM 146 O THR A 10 -6.821 3.001 -8.809 1.00 0.00 O ATOM 147 CB THR A 10 -8.839 4.938 -7.317 1.00 0.00 C ATOM 148 OG1 THR A 10 -8.533 6.316 -7.171 1.00 0.00 O ATOM 149 CG2 THR A 10 -10.112 4.670 -6.515 1.00 0.00 C ATOM 0 H THR A 10 -7.549 5.624 -5.452 1.00 0.00 H new ATOM 0 HA THR A 10 -8.024 3.055 -6.541 1.00 0.00 H new ATOM 0 HB THR A 10 -8.985 4.694 -8.369 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.282 6.854 -7.502 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.917 5.303 -6.888 1.00 0.00 H new ATOM 0 HG22 THR A 10 -10.395 3.623 -6.621 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.933 4.892 -5.463 1.00 0.00 H new ATOM 157 N ASP A 11 -5.559 4.618 -7.887 1.00 0.00 N ATOM 158 CA ASP A 11 -4.466 4.617 -8.863 1.00 0.00 C ATOM 159 C ASP A 11 -3.278 3.774 -8.381 1.00 0.00 C ATOM 160 O ASP A 11 -2.195 3.814 -8.967 1.00 0.00 O ATOM 161 CB ASP A 11 -4.047 6.065 -9.156 1.00 0.00 C ATOM 162 CG ASP A 11 -3.295 6.186 -10.476 1.00 0.00 C ATOM 163 OD1 ASP A 11 -3.905 5.859 -11.520 1.00 0.00 O ATOM 164 OD2 ASP A 11 -2.149 6.690 -10.472 1.00 0.00 O ATOM 0 H ASP A 11 -5.410 5.296 -7.140 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.818 4.156 -9.786 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.932 6.700 -9.184 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.417 6.431 -8.345 1.00 0.00 H new ATOM 169 N LEU A 12 -3.464 3.045 -7.274 1.00 0.00 N ATOM 170 CA LEU A 12 -2.480 2.154 -6.675 1.00 0.00 C ATOM 171 C LEU A 12 -2.124 1.051 -7.672 1.00 0.00 C ATOM 172 O LEU A 12 -2.881 0.088 -7.823 1.00 0.00 O ATOM 173 CB LEU A 12 -3.045 1.604 -5.353 1.00 0.00 C ATOM 174 CG LEU A 12 -2.116 0.781 -4.444 1.00 0.00 C ATOM 175 CD1 LEU A 12 -1.673 -0.561 -5.031 1.00 0.00 C ATOM 176 CD2 LEU A 12 -0.895 1.583 -3.991 1.00 0.00 C ATOM 0 H LEU A 12 -4.342 3.065 -6.755 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.558 2.686 -6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.413 2.450 -4.772 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.908 0.983 -5.594 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.734 0.548 -3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.021 -1.071 -4.322 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.549 -1.179 -5.228 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.132 -0.390 -5.962 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.268 0.961 -3.352 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.323 1.899 -4.863 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.223 2.461 -3.435 1.00 0.00 H new ATOM 188 N SER A 13 -0.970 1.166 -8.328 1.00 0.00 N ATOM 189 CA SER A 13 -0.408 0.140 -9.197 1.00 0.00 C ATOM 190 C SER A 13 1.075 -0.003 -8.906 1.00 0.00 C ATOM 191 O SER A 13 1.784 0.997 -8.823 1.00 0.00 O ATOM 192 CB SER A 13 -0.641 0.471 -10.679 1.00 0.00 C ATOM 193 OG SER A 13 -2.005 0.357 -11.046 1.00 0.00 O ATOM 0 H SER A 13 -0.386 2.000 -8.266 1.00 0.00 H new ATOM 0 HA SER A 13 -0.912 -0.805 -8.995 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.296 1.485 -10.881 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.043 -0.199 -11.297 1.00 0.00 H new ATOM 0 HG SER A 13 -2.108 0.578 -11.995 1.00 0.00 H new ATOM 199 N PHE A 14 1.555 -1.236 -8.734 1.00 0.00 N ATOM 200 CA PHE A 14 2.979 -1.482 -8.586 1.00 0.00 C ATOM 201 C PHE A 14 3.639 -1.340 -9.950 1.00 0.00 C ATOM 202 O PHE A 14 2.976 -1.434 -10.989 1.00 0.00 O ATOM 203 CB PHE A 14 3.225 -2.863 -7.969 1.00 0.00 C ATOM 204 CG PHE A 14 2.508 -3.139 -6.661 1.00 0.00 C ATOM 205 CD1 PHE A 14 2.076 -2.099 -5.808 1.00 0.00 C ATOM 206 CD2 PHE A 14 2.270 -4.475 -6.298 1.00 0.00 C ATOM 207 CE1 PHE A 14 1.366 -2.399 -4.636 1.00 0.00 C ATOM 208 CE2 PHE A 14 1.597 -4.768 -5.106 1.00 0.00 C ATOM 209 CZ PHE A 14 1.118 -3.731 -4.292 1.00 0.00 C ATOM 0 H PHE A 14 0.975 -2.074 -8.695 1.00 0.00 H new ATOM 0 HA PHE A 14 3.420 -0.753 -7.906 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.926 -3.622 -8.692 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.296 -2.982 -7.806 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.293 -1.071 -6.059 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.606 -5.277 -6.939 1.00 0.00 H new ATOM 0 HE1 PHE A 14 1.011 -1.602 -4.000 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.446 -5.796 -4.812 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.557 -3.962 -3.399 1.00 0.00 H new ATOM 219 N VAL A 15 4.935 -1.066 -9.950 1.00 0.00 N ATOM 220 CA VAL A 15 5.736 -0.899 -11.144 1.00 0.00 C ATOM 221 C VAL A 15 7.132 -1.426 -10.870 1.00 0.00 C ATOM 222 O VAL A 15 7.547 -1.521 -9.713 1.00 0.00 O ATOM 223 CB VAL A 15 5.832 0.588 -11.525 1.00 0.00 C ATOM 224 CG1 VAL A 15 4.617 1.019 -12.339 1.00 0.00 C ATOM 225 CG2 VAL A 15 6.048 1.559 -10.353 1.00 0.00 C ATOM 0 H VAL A 15 5.471 -0.951 -9.090 1.00 0.00 H new ATOM 0 HA VAL A 15 5.271 -1.445 -11.965 1.00 0.00 H new ATOM 0 HB VAL A 15 6.739 0.654 -12.126 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.707 2.074 -12.597 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.562 0.426 -13.252 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.712 0.865 -11.751 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.101 2.580 -10.731 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.217 1.475 -9.653 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.979 1.312 -9.843 1.00 0.00 H new ATOM 235 N ASP A 16 7.889 -1.627 -11.950 1.00 0.00 N ATOM 236 CA ASP A 16 9.330 -1.796 -11.960 1.00 0.00 C ATOM 237 C ASP A 16 9.733 -2.852 -10.926 1.00 0.00 C ATOM 238 O ASP A 16 10.686 -2.671 -10.166 1.00 0.00 O ATOM 239 CB ASP A 16 10.003 -0.411 -11.825 1.00 0.00 C ATOM 240 CG ASP A 16 10.115 0.342 -13.150 1.00 0.00 C ATOM 241 OD1 ASP A 16 10.932 -0.079 -14.004 1.00 0.00 O ATOM 242 OD2 ASP A 16 9.435 1.375 -13.341 1.00 0.00 O ATOM 0 H ASP A 16 7.486 -1.678 -12.886 1.00 0.00 H new ATOM 0 HA ASP A 16 9.693 -2.194 -12.908 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.434 0.194 -11.119 1.00 0.00 H new ATOM 0 HB3 ASP A 16 11.000 -0.539 -11.403 1.00 0.00 H new ATOM 247 N ILE A 17 8.973 -3.954 -10.925 1.00 0.00 N ATOM 248 CA ILE A 17 9.037 -5.125 -10.056 1.00 0.00 C ATOM 249 C ILE A 17 10.254 -5.944 -10.506 1.00 0.00 C ATOM 250 O ILE A 17 10.140 -7.007 -11.121 1.00 0.00 O ATOM 251 CB ILE A 17 7.690 -5.898 -10.116 1.00 0.00 C ATOM 252 CG1 ILE A 17 6.466 -4.986 -9.830 1.00 0.00 C ATOM 253 CG2 ILE A 17 7.679 -7.077 -9.122 1.00 0.00 C ATOM 254 CD1 ILE A 17 5.551 -4.829 -11.048 1.00 0.00 C ATOM 0 H ILE A 17 8.221 -4.053 -11.606 1.00 0.00 H new ATOM 0 HA ILE A 17 9.170 -4.866 -9.006 1.00 0.00 H new ATOM 0 HB ILE A 17 7.606 -6.274 -11.136 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.893 -5.402 -9.001 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.816 -4.003 -9.514 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.724 -7.599 -9.187 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.487 -7.767 -9.367 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.818 -6.700 -8.109 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.712 -4.182 -10.792 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.113 -4.386 -11.870 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.176 -5.807 -11.350 1.00 0.00 H new ATOM 266 N THR A 18 11.425 -5.348 -10.314 1.00 0.00 N ATOM 267 CA THR A 18 12.722 -6.011 -10.317 1.00 0.00 C ATOM 268 C THR A 18 12.742 -7.118 -9.247 1.00 0.00 C ATOM 269 O THR A 18 11.902 -7.172 -8.348 1.00 0.00 O ATOM 270 CB THR A 18 13.828 -4.943 -10.134 1.00 0.00 C ATOM 271 OG1 THR A 18 15.121 -5.513 -10.152 1.00 0.00 O ATOM 272 CG2 THR A 18 13.705 -4.129 -8.840 1.00 0.00 C ATOM 0 H THR A 18 11.499 -4.345 -10.145 1.00 0.00 H new ATOM 0 HA THR A 18 12.912 -6.508 -11.268 1.00 0.00 H new ATOM 0 HB THR A 18 13.685 -4.274 -10.982 1.00 0.00 H new ATOM 0 HG1 THR A 18 15.791 -4.808 -10.035 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.517 -3.404 -8.788 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.749 -3.605 -8.829 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.762 -4.799 -7.982 1.00 0.00 H new ATOM 280 N ASP A 19 13.745 -7.991 -9.293 1.00 0.00 N ATOM 281 CA ASP A 19 13.966 -9.082 -8.338 1.00 0.00 C ATOM 282 C ASP A 19 14.513 -8.583 -6.990 1.00 0.00 C ATOM 283 O ASP A 19 14.807 -9.400 -6.112 1.00 0.00 O ATOM 284 CB ASP A 19 14.916 -10.125 -8.956 1.00 0.00 C ATOM 285 CG ASP A 19 14.207 -11.370 -9.480 1.00 0.00 C ATOM 286 OD1 ASP A 19 13.054 -11.277 -9.955 1.00 0.00 O ATOM 287 OD2 ASP A 19 14.839 -12.452 -9.462 1.00 0.00 O ATOM 0 H ASP A 19 14.456 -7.960 -10.024 1.00 0.00 H new ATOM 0 HA ASP A 19 13.000 -9.542 -8.131 1.00 0.00 H new ATOM 0 HB2 ASP A 19 15.467 -9.661 -9.774 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.649 -10.424 -8.207 1.00 0.00 H new ATOM 292 N SER A 20 14.661 -7.268 -6.796 1.00 0.00 N ATOM 293 CA SER A 20 15.301 -6.660 -5.632 1.00 0.00 C ATOM 294 C SER A 20 14.417 -5.771 -4.769 1.00 0.00 C ATOM 295 O SER A 20 14.830 -5.383 -3.670 1.00 0.00 O ATOM 296 CB SER A 20 16.558 -5.928 -6.118 1.00 0.00 C ATOM 297 OG SER A 20 16.272 -4.728 -6.825 1.00 0.00 O ATOM 0 H SER A 20 14.327 -6.578 -7.469 1.00 0.00 H new ATOM 0 HA SER A 20 15.551 -7.469 -4.946 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.189 -5.695 -5.260 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.131 -6.594 -6.763 1.00 0.00 H new ATOM 0 HG SER A 20 15.664 -4.173 -6.294 1.00 0.00 H new ATOM 303 N SER A 21 13.252 -5.403 -5.284 1.00 0.00 N ATOM 304 CA SER A 21 12.434 -4.309 -4.814 1.00 0.00 C ATOM 305 C SER A 21 11.177 -4.185 -5.676 1.00 0.00 C ATOM 306 O SER A 21 11.142 -4.684 -6.803 1.00 0.00 O ATOM 307 CB SER A 21 13.232 -2.990 -4.812 1.00 0.00 C ATOM 308 OG SER A 21 14.290 -2.946 -5.762 1.00 0.00 O ATOM 0 H SER A 21 12.837 -5.887 -6.080 1.00 0.00 H new ATOM 0 HA SER A 21 12.131 -4.516 -3.788 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.548 -2.164 -5.009 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.646 -2.831 -3.816 1.00 0.00 H new ATOM 0 HG SER A 21 14.748 -2.081 -5.702 1.00 0.00 H new ATOM 314 N ILE A 22 10.161 -3.487 -5.164 1.00 0.00 N ATOM 315 CA ILE A 22 8.897 -3.275 -5.858 1.00 0.00 C ATOM 316 C ILE A 22 8.588 -1.781 -5.804 1.00 0.00 C ATOM 317 O ILE A 22 8.613 -1.175 -4.727 1.00 0.00 O ATOM 318 CB ILE A 22 7.799 -4.201 -5.271 1.00 0.00 C ATOM 319 CG1 ILE A 22 6.651 -4.376 -6.277 1.00 0.00 C ATOM 320 CG2 ILE A 22 7.236 -3.725 -3.925 1.00 0.00 C ATOM 321 CD1 ILE A 22 5.602 -5.413 -5.846 1.00 0.00 C ATOM 0 H ILE A 22 10.197 -3.049 -4.244 1.00 0.00 H new ATOM 0 HA ILE A 22 8.948 -3.555 -6.910 1.00 0.00 H new ATOM 0 HB ILE A 22 8.289 -5.157 -5.083 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.159 -3.414 -6.424 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.066 -4.672 -7.240 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.474 -4.425 -3.581 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.041 -3.675 -3.191 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.793 -2.737 -4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.824 -5.481 -6.606 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.079 -6.386 -5.728 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.158 -5.109 -4.898 1.00 0.00 H new ATOM 333 N GLY A 23 8.352 -1.163 -6.961 1.00 0.00 N ATOM 334 CA GLY A 23 7.896 0.213 -7.039 1.00 0.00 C ATOM 335 C GLY A 23 6.380 0.255 -6.899 1.00 0.00 C ATOM 336 O GLY A 23 5.688 -0.727 -7.170 1.00 0.00 O ATOM 0 H GLY A 23 8.474 -1.609 -7.870 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.361 0.806 -6.252 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.196 0.653 -7.990 1.00 0.00 H new ATOM 340 N LEU A 24 5.845 1.411 -6.526 1.00 0.00 N ATOM 341 CA LEU A 24 4.431 1.697 -6.350 1.00 0.00 C ATOM 342 C LEU A 24 4.162 3.051 -6.970 1.00 0.00 C ATOM 343 O LEU A 24 4.918 3.996 -6.731 1.00 0.00 O ATOM 344 CB LEU A 24 4.054 1.802 -4.870 1.00 0.00 C ATOM 345 CG LEU A 24 4.170 0.494 -4.072 1.00 0.00 C ATOM 346 CD1 LEU A 24 5.375 0.528 -3.134 1.00 0.00 C ATOM 347 CD2 LEU A 24 2.912 0.268 -3.231 1.00 0.00 C ATOM 0 H LEU A 24 6.427 2.225 -6.326 1.00 0.00 H new ATOM 0 HA LEU A 24 3.855 0.893 -6.807 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.691 2.553 -4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.028 2.164 -4.797 1.00 0.00 H new ATOM 0 HG LEU A 24 4.291 -0.316 -4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.433 -0.410 -2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.286 0.663 -3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.267 1.356 -2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.010 -0.663 -2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.786 1.098 -2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.043 0.208 -3.886 1.00 0.00 H new ATOM 359 N ARG A 25 3.039 3.181 -7.670 1.00 0.00 N ATOM 360 CA ARG A 25 2.447 4.477 -7.953 1.00 0.00 C ATOM 361 C ARG A 25 1.142 4.542 -7.173 1.00 0.00 C ATOM 362 O ARG A 25 0.553 3.495 -6.894 1.00 0.00 O ATOM 363 CB ARG A 25 2.082 4.591 -9.441 1.00 0.00 C ATOM 364 CG ARG A 25 3.178 4.286 -10.468 1.00 0.00 C ATOM 365 CD ARG A 25 2.552 4.023 -11.847 1.00 0.00 C ATOM 366 NE ARG A 25 2.022 5.228 -12.504 1.00 0.00 N ATOM 367 CZ ARG A 25 0.813 5.786 -12.385 1.00 0.00 C ATOM 368 NH1 ARG A 25 -0.131 5.242 -11.624 1.00 0.00 N ATOM 369 NH2 ARG A 25 0.571 6.916 -13.031 1.00 0.00 N ATOM 0 H ARG A 25 2.518 2.392 -8.054 1.00 0.00 H new ATOM 0 HA ARG A 25 3.148 5.268 -7.687 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.245 3.919 -9.634 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.725 5.605 -9.622 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.873 5.124 -10.529 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.754 3.417 -10.150 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.302 3.569 -12.494 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.746 3.298 -11.736 1.00 0.00 H new ATOM 0 HE ARG A 25 2.665 5.703 -13.137 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.059 4.379 -11.114 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.046 5.687 -11.550 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.299 7.342 -13.604 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.344 7.361 -12.956 1.00 0.00 H new ATOM 383 N TRP A 26 0.659 5.748 -6.910 1.00 0.00 N ATOM 384 CA TRP A 26 -0.706 6.108 -6.546 1.00 0.00 C ATOM 385 C TRP A 26 -0.853 7.617 -6.793 1.00 0.00 C ATOM 386 O TRP A 26 0.058 8.211 -7.375 1.00 0.00 O ATOM 387 CB TRP A 26 -0.989 5.649 -5.114 1.00 0.00 C ATOM 388 CG TRP A 26 -0.140 6.198 -4.006 1.00 0.00 C ATOM 389 CD1 TRP A 26 -0.349 7.375 -3.381 1.00 0.00 C ATOM 390 CD2 TRP A 26 0.978 5.579 -3.294 1.00 0.00 C ATOM 391 NE1 TRP A 26 0.531 7.524 -2.340 1.00 0.00 N ATOM 392 CE2 TRP A 26 1.359 6.438 -2.222 1.00 0.00 C ATOM 393 CE3 TRP A 26 1.692 4.369 -3.413 1.00 0.00 C ATOM 394 CZ2 TRP A 26 2.381 6.123 -1.321 1.00 0.00 C ATOM 395 CZ3 TRP A 26 2.759 4.067 -2.542 1.00 0.00 C ATOM 396 CH2 TRP A 26 3.116 4.943 -1.505 1.00 0.00 C ATOM 0 H TRP A 26 1.262 6.570 -6.949 1.00 0.00 H new ATOM 0 HA TRP A 26 -1.461 5.606 -7.151 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -2.027 5.891 -4.887 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -0.903 4.563 -5.091 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -1.102 8.097 -3.661 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.565 8.341 -1.730 1.00 0.00 H new ATOM 0 HE3 TRP A 26 1.418 3.663 -4.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 2.602 6.781 -0.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 3.310 3.148 -2.675 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.947 4.711 -0.856 1.00 0.00 H new ATOM 407 N THR A 27 -1.966 8.262 -6.431 1.00 0.00 N ATOM 408 CA THR A 27 -2.021 9.733 -6.491 1.00 0.00 C ATOM 409 C THR A 27 -1.941 10.266 -5.056 1.00 0.00 C ATOM 410 O THR A 27 -2.623 9.714 -4.190 1.00 0.00 O ATOM 411 CB THR A 27 -3.317 10.149 -7.222 1.00 0.00 C ATOM 412 OG1 THR A 27 -3.016 10.360 -8.588 1.00 0.00 O ATOM 413 CG2 THR A 27 -3.997 11.420 -6.697 1.00 0.00 C ATOM 0 H THR A 27 -2.819 7.810 -6.102 1.00 0.00 H new ATOM 0 HA THR A 27 -1.188 10.157 -7.051 1.00 0.00 H new ATOM 0 HB THR A 27 -4.018 9.333 -7.049 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.830 10.623 -9.066 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.896 11.619 -7.281 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.267 11.282 -5.650 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.312 12.263 -6.787 1.00 0.00 H new ATOM 421 N PRO A 28 -1.243 11.387 -4.800 1.00 0.00 N ATOM 422 CA PRO A 28 -1.209 11.977 -3.476 1.00 0.00 C ATOM 423 C PRO A 28 -2.543 12.677 -3.219 1.00 0.00 C ATOM 424 O PRO A 28 -2.982 13.530 -3.998 1.00 0.00 O ATOM 425 CB PRO A 28 -0.016 12.934 -3.458 1.00 0.00 C ATOM 426 CG PRO A 28 0.291 13.227 -4.926 1.00 0.00 C ATOM 427 CD PRO A 28 -0.371 12.101 -5.720 1.00 0.00 C ATOM 0 HA PRO A 28 -1.083 11.243 -2.680 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.255 13.849 -2.916 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.842 12.483 -2.960 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.103 14.199 -5.222 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.366 13.252 -5.104 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.941 12.503 -6.558 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.380 11.431 -6.138 1.00 0.00 H new ATOM 435 N LEU A 29 -3.202 12.299 -2.130 1.00 0.00 N ATOM 436 CA LEU A 29 -4.492 12.802 -1.699 1.00 0.00 C ATOM 437 C LEU A 29 -4.158 13.988 -0.826 1.00 0.00 C ATOM 438 O LEU A 29 -4.080 13.830 0.385 1.00 0.00 O ATOM 439 CB LEU A 29 -5.310 11.748 -0.903 1.00 0.00 C ATOM 440 CG LEU A 29 -5.296 10.371 -1.552 1.00 0.00 C ATOM 441 CD1 LEU A 29 -5.822 9.252 -0.657 1.00 0.00 C ATOM 442 CD2 LEU A 29 -6.047 10.343 -2.883 1.00 0.00 C ATOM 0 H LEU A 29 -2.827 11.596 -1.493 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.120 13.060 -2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.908 11.672 0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.341 12.090 -0.811 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.238 10.179 -1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.778 8.305 -1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.210 9.187 0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.854 9.464 -0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.006 9.338 -3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.087 10.626 -2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.584 11.045 -3.577 1.00 0.00 H new ATOM 454 N ASN A 30 -3.921 15.162 -1.408 1.00 0.00 N ATOM 455 CA ASN A 30 -3.507 16.342 -0.646 1.00 0.00 C ATOM 456 C ASN A 30 -4.690 16.959 0.116 1.00 0.00 C ATOM 457 O ASN A 30 -4.882 18.176 0.094 1.00 0.00 O ATOM 458 CB ASN A 30 -2.795 17.352 -1.566 1.00 0.00 C ATOM 459 CG ASN A 30 -1.414 16.871 -1.989 1.00 0.00 C ATOM 460 OD1 ASN A 30 -0.654 16.361 -1.174 1.00 0.00 O ATOM 461 ND2 ASN A 30 -1.062 17.017 -3.250 1.00 0.00 N ATOM 0 H ASN A 30 -4.009 15.323 -2.411 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.787 16.035 0.112 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.405 17.526 -2.453 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.703 18.308 -1.051 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.143 16.703 -3.563 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.708 17.444 -3.914 1.00 0.00 H new ATOM 468 N SER A 31 -5.515 16.119 0.751 1.00 0.00 N ATOM 469 CA SER A 31 -6.827 16.487 1.268 1.00 0.00 C ATOM 470 C SER A 31 -6.818 17.791 2.085 1.00 0.00 C ATOM 471 O SER A 31 -7.531 18.734 1.737 1.00 0.00 O ATOM 472 CB SER A 31 -7.449 15.283 2.008 1.00 0.00 C ATOM 473 OG SER A 31 -7.032 15.133 3.355 1.00 0.00 O ATOM 0 H SER A 31 -5.278 15.142 0.921 1.00 0.00 H new ATOM 0 HA SER A 31 -7.475 16.725 0.424 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.534 15.383 1.987 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.202 14.372 1.462 1.00 0.00 H new ATOM 0 HG SER A 31 -7.443 15.833 3.904 1.00 0.00 H new ATOM 479 N SER A 32 -6.058 17.834 3.186 1.00 0.00 N ATOM 480 CA SER A 32 -6.341 18.684 4.349 1.00 0.00 C ATOM 481 C SER A 32 -5.494 18.241 5.544 1.00 0.00 C ATOM 482 O SER A 32 -4.708 19.006 6.102 1.00 0.00 O ATOM 483 CB SER A 32 -7.836 18.573 4.726 1.00 0.00 C ATOM 484 OG SER A 32 -8.290 17.222 4.618 1.00 0.00 O ATOM 0 H SER A 32 -5.215 17.270 3.296 1.00 0.00 H new ATOM 0 HA SER A 32 -6.099 19.716 4.094 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.986 18.931 5.745 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.429 19.213 4.073 1.00 0.00 H new ATOM 0 HG SER A 32 -9.238 17.175 4.862 1.00 0.00 H new ATOM 490 N THR A 33 -5.724 16.991 5.942 1.00 0.00 N ATOM 491 CA THR A 33 -5.479 16.447 7.263 1.00 0.00 C ATOM 492 C THR A 33 -5.037 14.973 7.140 1.00 0.00 C ATOM 493 O THR A 33 -4.729 14.330 8.144 1.00 0.00 O ATOM 494 CB THR A 33 -6.766 16.707 8.087 1.00 0.00 C ATOM 495 OG1 THR A 33 -6.518 17.806 8.938 1.00 0.00 O ATOM 496 CG2 THR A 33 -7.243 15.569 8.991 1.00 0.00 C ATOM 0 H THR A 33 -6.110 16.293 5.306 1.00 0.00 H new ATOM 0 HA THR A 33 -4.655 16.923 7.794 1.00 0.00 H new ATOM 0 HB THR A 33 -7.547 16.857 7.342 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.318 17.994 9.471 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.150 15.874 9.513 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.452 14.687 8.386 1.00 0.00 H new ATOM 0 HG23 THR A 33 -6.467 15.334 9.720 1.00 0.00 H new ATOM 504 N ILE A 34 -5.023 14.439 5.912 1.00 0.00 N ATOM 505 CA ILE A 34 -4.358 13.200 5.527 1.00 0.00 C ATOM 506 C ILE A 34 -3.062 13.006 6.331 1.00 0.00 C ATOM 507 O ILE A 34 -2.190 13.875 6.339 1.00 0.00 O ATOM 508 CB ILE A 34 -4.154 13.211 4.001 1.00 0.00 C ATOM 509 CG1 ILE A 34 -3.771 11.818 3.461 1.00 0.00 C ATOM 510 CG2 ILE A 34 -3.273 14.384 3.551 1.00 0.00 C ATOM 511 CD1 ILE A 34 -2.275 11.564 3.269 1.00 0.00 C ATOM 0 H ILE A 34 -5.499 14.884 5.127 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.974 12.334 5.769 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.110 13.413 3.519 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.163 11.065 4.144 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.271 11.671 2.503 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.154 14.355 2.468 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.744 15.324 3.839 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.295 14.307 4.026 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.124 10.555 2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.872 12.286 2.559 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.762 11.670 4.225 1.00 0.00 H new ATOM 523 N ILE A 35 -2.959 11.894 7.059 1.00 0.00 N ATOM 524 CA ILE A 35 -1.818 11.683 7.939 1.00 0.00 C ATOM 525 C ILE A 35 -0.714 11.106 7.067 1.00 0.00 C ATOM 526 O ILE A 35 0.353 11.691 6.964 1.00 0.00 O ATOM 527 CB ILE A 35 -2.180 10.757 9.118 1.00 0.00 C ATOM 528 CG1 ILE A 35 -3.333 11.316 9.976 1.00 0.00 C ATOM 529 CG2 ILE A 35 -0.968 10.527 10.033 1.00 0.00 C ATOM 530 CD1 ILE A 35 -4.700 10.750 9.587 1.00 0.00 C ATOM 0 H ILE A 35 -3.643 11.137 7.056 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.492 12.615 8.400 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.499 9.816 8.670 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.139 11.092 11.025 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.355 12.402 9.881 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.252 9.871 10.855 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.163 10.065 9.461 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.627 11.482 10.432 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.469 11.183 10.228 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.913 10.997 8.547 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.693 9.667 9.709 1.00 0.00 H new ATOM 542 N GLY A 36 -0.986 9.993 6.390 1.00 0.00 N ATOM 543 CA GLY A 36 -0.016 9.334 5.542 1.00 0.00 C ATOM 544 C GLY A 36 -0.700 8.216 4.778 1.00 0.00 C ATOM 545 O GLY A 36 -1.929 8.169 4.663 1.00 0.00 O ATOM 0 H GLY A 36 -1.893 9.526 6.419 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.423 10.050 4.847 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.799 8.933 6.145 1.00 0.00 H new ATOM 549 N TYR A 37 0.109 7.289 4.285 1.00 0.00 N ATOM 550 CA TYR A 37 -0.346 5.993 3.815 1.00 0.00 C ATOM 551 C TYR A 37 0.536 4.985 4.551 1.00 0.00 C ATOM 552 O TYR A 37 1.682 5.299 4.892 1.00 0.00 O ATOM 553 CB TYR A 37 -0.186 5.874 2.280 1.00 0.00 C ATOM 554 CG TYR A 37 -0.533 7.140 1.518 1.00 0.00 C ATOM 555 CD1 TYR A 37 -1.877 7.439 1.238 1.00 0.00 C ATOM 556 CD2 TYR A 37 0.479 8.053 1.159 1.00 0.00 C ATOM 557 CE1 TYR A 37 -2.217 8.658 0.627 1.00 0.00 C ATOM 558 CE2 TYR A 37 0.146 9.270 0.544 1.00 0.00 C ATOM 559 CZ TYR A 37 -1.209 9.586 0.296 1.00 0.00 C ATOM 560 OH TYR A 37 -1.546 10.796 -0.225 1.00 0.00 O ATOM 0 H TYR A 37 1.117 7.421 4.200 1.00 0.00 H new ATOM 0 HA TYR A 37 -1.405 5.827 4.013 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.844 5.598 2.054 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.820 5.063 1.922 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.651 6.730 1.493 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.514 7.816 1.358 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.251 8.884 0.411 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.924 9.964 0.261 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.062 11.503 0.251 1.00 0.00 H new ATOM 570 N ARG A 38 0.007 3.792 4.783 1.00 0.00 N ATOM 571 CA ARG A 38 0.605 2.736 5.579 1.00 0.00 C ATOM 572 C ARG A 38 0.701 1.504 4.703 1.00 0.00 C ATOM 573 O ARG A 38 -0.333 0.977 4.291 1.00 0.00 O ATOM 574 CB ARG A 38 -0.274 2.531 6.822 1.00 0.00 C ATOM 575 CG ARG A 38 0.090 1.328 7.702 1.00 0.00 C ATOM 576 CD ARG A 38 -0.692 0.054 7.339 1.00 0.00 C ATOM 577 NE ARG A 38 -0.589 -0.922 8.437 1.00 0.00 N ATOM 578 CZ ARG A 38 -1.410 -1.032 9.488 1.00 0.00 C ATOM 579 NH1 ARG A 38 -2.578 -0.405 9.521 1.00 0.00 N ATOM 580 NH2 ARG A 38 -1.036 -1.767 10.520 1.00 0.00 N ATOM 0 H ARG A 38 -0.899 3.523 4.399 1.00 0.00 H new ATOM 0 HA ARG A 38 1.610 2.975 5.926 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.224 3.433 7.432 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.309 2.421 6.499 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.158 1.129 7.611 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.100 1.578 8.746 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.738 0.298 7.154 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.297 -0.377 6.419 1.00 0.00 H new ATOM 0 HE ARG A 38 0.188 -1.582 8.392 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.867 0.176 8.734 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.187 -0.504 10.333 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.133 -2.241 10.508 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.650 -1.861 11.329 1.00 0.00 H new ATOM 594 N ILE A 39 1.907 1.046 4.389 1.00 0.00 N ATOM 595 CA ILE A 39 2.115 -0.146 3.582 1.00 0.00 C ATOM 596 C ILE A 39 2.446 -1.287 4.536 1.00 0.00 C ATOM 597 O ILE A 39 3.053 -1.087 5.584 1.00 0.00 O ATOM 598 CB ILE A 39 3.159 0.134 2.478 1.00 0.00 C ATOM 599 CG1 ILE A 39 2.543 1.063 1.408 1.00 0.00 C ATOM 600 CG2 ILE A 39 3.668 -1.146 1.788 1.00 0.00 C ATOM 601 CD1 ILE A 39 2.839 2.554 1.615 1.00 0.00 C ATOM 0 H ILE A 39 2.772 1.495 4.690 1.00 0.00 H new ATOM 0 HA ILE A 39 1.225 -0.445 3.028 1.00 0.00 H new ATOM 0 HB ILE A 39 4.012 0.605 2.966 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.915 0.764 0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.463 0.918 1.397 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.398 -0.881 1.023 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.136 -1.796 2.527 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.830 -1.667 1.325 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.369 3.132 0.819 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.442 2.873 2.579 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.916 2.717 1.594 1.00 0.00 H new ATOM 613 N THR A 40 1.955 -2.486 4.239 1.00 0.00 N ATOM 614 CA THR A 40 2.142 -3.680 5.056 1.00 0.00 C ATOM 615 C THR A 40 2.249 -4.873 4.117 1.00 0.00 C ATOM 616 O THR A 40 1.296 -5.202 3.409 1.00 0.00 O ATOM 617 CB THR A 40 0.987 -3.778 6.060 1.00 0.00 C ATOM 618 OG1 THR A 40 1.133 -2.718 6.975 1.00 0.00 O ATOM 619 CG2 THR A 40 1.003 -5.069 6.884 1.00 0.00 C ATOM 0 H THR A 40 1.401 -2.659 3.400 1.00 0.00 H new ATOM 0 HA THR A 40 3.058 -3.647 5.646 1.00 0.00 H new ATOM 0 HB THR A 40 0.059 -3.750 5.489 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.543 -3.052 7.800 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.159 -5.071 7.573 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.929 -5.928 6.217 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.933 -5.128 7.450 1.00 0.00 H new ATOM 627 N VAL A 41 3.428 -5.482 4.074 1.00 0.00 N ATOM 628 CA VAL A 41 3.731 -6.663 3.286 1.00 0.00 C ATOM 629 C VAL A 41 3.821 -7.876 4.186 1.00 0.00 C ATOM 630 O VAL A 41 4.537 -7.874 5.196 1.00 0.00 O ATOM 631 CB VAL A 41 5.004 -6.511 2.429 1.00 0.00 C ATOM 632 CG1 VAL A 41 4.638 -6.596 0.960 1.00 0.00 C ATOM 633 CG2 VAL A 41 5.727 -5.157 2.622 1.00 0.00 C ATOM 0 H VAL A 41 4.230 -5.150 4.610 1.00 0.00 H new ATOM 0 HA VAL A 41 2.911 -6.797 2.580 1.00 0.00 H new ATOM 0 HB VAL A 41 5.670 -7.312 2.749 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.538 -6.489 0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.176 -7.562 0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.937 -5.799 0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.612 -5.124 1.987 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.055 -4.343 2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.024 -5.049 3.665 1.00 0.00 H new ATOM 643 N VAL A 42 3.117 -8.924 3.780 1.00 0.00 N ATOM 644 CA VAL A 42 3.170 -10.215 4.450 1.00 0.00 C ATOM 645 C VAL A 42 3.343 -11.284 3.352 1.00 0.00 C ATOM 646 O VAL A 42 3.121 -10.986 2.173 1.00 0.00 O ATOM 647 CB VAL A 42 1.947 -10.351 5.398 1.00 0.00 C ATOM 648 CG1 VAL A 42 1.421 -9.025 5.986 1.00 0.00 C ATOM 649 CG2 VAL A 42 0.776 -11.053 4.738 1.00 0.00 C ATOM 0 H VAL A 42 2.492 -8.902 2.975 1.00 0.00 H new ATOM 0 HA VAL A 42 4.020 -10.342 5.121 1.00 0.00 H new ATOM 0 HB VAL A 42 2.349 -10.948 6.217 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.568 -9.227 6.633 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.210 -8.545 6.565 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.113 -8.364 5.176 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.052 -11.122 5.444 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.460 -10.487 3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.077 -12.055 4.434 1.00 0.00 H new ATOM 659 N ALA A 43 3.740 -12.510 3.704 1.00 0.00 N ATOM 660 CA ALA A 43 3.966 -13.566 2.722 1.00 0.00 C ATOM 661 C ALA A 43 2.662 -14.331 2.527 1.00 0.00 C ATOM 662 O ALA A 43 2.257 -15.090 3.414 1.00 0.00 O ATOM 663 CB ALA A 43 5.097 -14.497 3.157 1.00 0.00 C ATOM 0 H ALA A 43 3.912 -12.794 4.669 1.00 0.00 H new ATOM 0 HA ALA A 43 4.274 -13.123 1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.240 -15.272 2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.018 -13.924 3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.841 -14.960 4.110 1.00 0.00 H new ATOM 669 N ALA A 44 2.039 -14.155 1.363 1.00 0.00 N ATOM 670 CA ALA A 44 0.694 -14.612 1.021 1.00 0.00 C ATOM 671 C ALA A 44 -0.289 -14.387 2.184 1.00 0.00 C ATOM 672 O ALA A 44 -0.130 -13.461 2.978 1.00 0.00 O ATOM 673 CB ALA A 44 0.757 -16.067 0.523 1.00 0.00 C ATOM 0 H ALA A 44 2.485 -13.662 0.590 1.00 0.00 H new ATOM 0 HA ALA A 44 0.297 -14.013 0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.246 -16.408 0.268 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.394 -16.122 -0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.168 -16.703 1.308 1.00 0.00 H new ATOM 708 N ILE A 48 2.710 -14.909 8.543 1.00 0.00 N ATOM 709 CA ILE A 48 4.074 -14.494 8.224 1.00 0.00 C ATOM 710 C ILE A 48 4.125 -13.017 7.793 1.00 0.00 C ATOM 711 O ILE A 48 3.815 -12.711 6.638 1.00 0.00 O ATOM 712 CB ILE A 48 4.699 -15.463 7.187 1.00 0.00 C ATOM 713 CG1 ILE A 48 4.938 -16.837 7.856 1.00 0.00 C ATOM 714 CG2 ILE A 48 6.014 -14.911 6.607 1.00 0.00 C ATOM 715 CD1 ILE A 48 5.651 -17.871 6.980 1.00 0.00 C ATOM 0 HA ILE A 48 4.687 -14.556 9.123 1.00 0.00 H new ATOM 0 HB ILE A 48 4.003 -15.572 6.355 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.524 -16.685 8.762 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.976 -17.246 8.164 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.419 -15.620 5.885 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.822 -13.959 6.112 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.733 -14.763 7.413 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.772 -18.799 7.538 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.059 -18.060 6.085 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.631 -17.491 6.693 1.00 0.00 H new ATOM 727 N PRO A 49 4.534 -12.096 8.682 1.00 0.00 N ATOM 728 CA PRO A 49 4.816 -10.721 8.323 1.00 0.00 C ATOM 729 C PRO A 49 6.172 -10.660 7.622 1.00 0.00 C ATOM 730 O PRO A 49 7.053 -11.484 7.889 1.00 0.00 O ATOM 731 CB PRO A 49 4.860 -9.980 9.661 1.00 0.00 C ATOM 732 CG PRO A 49 5.408 -11.022 10.636 1.00 0.00 C ATOM 733 CD PRO A 49 4.954 -12.352 10.049 1.00 0.00 C ATOM 0 HA PRO A 49 4.080 -10.288 7.646 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.503 -9.101 9.611 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.870 -9.634 9.960 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.494 -10.968 10.709 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.014 -10.874 11.641 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.765 -13.080 10.073 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.133 -12.770 10.632 1.00 0.00 H new ATOM 741 N ILE A 50 6.377 -9.625 6.814 1.00 0.00 N ATOM 742 CA ILE A 50 7.690 -9.275 6.298 1.00 0.00 C ATOM 743 C ILE A 50 8.043 -7.922 6.899 1.00 0.00 C ATOM 744 O ILE A 50 9.037 -7.809 7.627 1.00 0.00 O ATOM 745 CB ILE A 50 7.722 -9.283 4.751 1.00 0.00 C ATOM 746 CG1 ILE A 50 7.154 -10.559 4.108 1.00 0.00 C ATOM 747 CG2 ILE A 50 9.138 -8.932 4.249 1.00 0.00 C ATOM 748 CD1 ILE A 50 8.122 -11.717 4.221 1.00 0.00 C ATOM 0 H ILE A 50 5.632 -9.004 6.499 1.00 0.00 H new ATOM 0 HA ILE A 50 8.438 -10.014 6.585 1.00 0.00 H new ATOM 0 HB ILE A 50 7.035 -8.505 4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.213 -10.822 4.590 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.932 -10.370 3.058 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.150 -8.940 3.159 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.416 -7.941 4.607 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.850 -9.667 4.625 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.687 -12.602 3.756 1.00 0.00 H new ATOM 0 HD12 ILE A 50 9.054 -11.463 3.716 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.323 -11.922 5.273 1.00 0.00 H new ATOM 760 N PHE A 51 7.242 -6.898 6.592 1.00 0.00 N ATOM 761 CA PHE A 51 7.608 -5.509 6.792 1.00 0.00 C ATOM 762 C PHE A 51 6.349 -4.642 6.808 1.00 0.00 C ATOM 763 O PHE A 51 5.300 -5.024 6.282 1.00 0.00 O ATOM 764 CB PHE A 51 8.573 -5.140 5.656 1.00 0.00 C ATOM 765 CG PHE A 51 9.003 -3.696 5.531 1.00 0.00 C ATOM 766 CD1 PHE A 51 10.066 -3.191 6.305 1.00 0.00 C ATOM 767 CD2 PHE A 51 8.405 -2.882 4.555 1.00 0.00 C ATOM 768 CE1 PHE A 51 10.535 -1.881 6.093 1.00 0.00 C ATOM 769 CE2 PHE A 51 8.883 -1.584 4.338 1.00 0.00 C ATOM 770 CZ PHE A 51 9.945 -1.076 5.102 1.00 0.00 C ATOM 0 H PHE A 51 6.311 -7.021 6.193 1.00 0.00 H new ATOM 0 HA PHE A 51 8.102 -5.343 7.749 1.00 0.00 H new ATOM 0 HB2 PHE A 51 9.471 -5.747 5.770 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.108 -5.433 4.715 1.00 0.00 H new ATOM 0 HD1 PHE A 51 10.522 -3.810 7.063 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.577 -3.257 3.972 1.00 0.00 H new ATOM 0 HE1 PHE A 51 11.347 -1.494 6.691 1.00 0.00 H new ATOM 0 HE2 PHE A 51 8.430 -0.968 3.575 1.00 0.00 H new ATOM 0 HZ PHE A 51 10.307 -0.073 4.930 1.00 0.00 H new ATOM 780 N GLU A 52 6.459 -3.460 7.401 1.00 0.00 N ATOM 781 CA GLU A 52 5.438 -2.426 7.442 1.00 0.00 C ATOM 782 C GLU A 52 6.190 -1.101 7.345 1.00 0.00 C ATOM 783 O GLU A 52 7.269 -0.963 7.932 1.00 0.00 O ATOM 784 CB GLU A 52 4.626 -2.549 8.747 1.00 0.00 C ATOM 785 CG GLU A 52 3.637 -1.390 8.967 1.00 0.00 C ATOM 786 CD GLU A 52 2.832 -1.552 10.254 1.00 0.00 C ATOM 787 OE1 GLU A 52 3.343 -1.164 11.330 1.00 0.00 O ATOM 788 OE2 GLU A 52 1.678 -2.033 10.219 1.00 0.00 O ATOM 0 H GLU A 52 7.309 -3.184 7.892 1.00 0.00 H new ATOM 0 HA GLU A 52 4.717 -2.509 6.628 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.075 -3.489 8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.314 -2.594 9.591 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.185 -0.449 9.000 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.955 -1.332 8.119 1.00 0.00 H new ATOM 795 N ASP A 53 5.635 -0.135 6.622 1.00 0.00 N ATOM 796 CA ASP A 53 6.192 1.198 6.448 1.00 0.00 C ATOM 797 C ASP A 53 5.087 2.237 6.394 1.00 0.00 C ATOM 798 O ASP A 53 3.891 1.934 6.332 1.00 0.00 O ATOM 799 CB ASP A 53 7.129 1.329 5.240 1.00 0.00 C ATOM 800 CG ASP A 53 6.411 1.381 3.892 1.00 0.00 C ATOM 801 OD1 ASP A 53 5.900 2.471 3.553 1.00 0.00 O ATOM 802 OD2 ASP A 53 6.403 0.337 3.200 1.00 0.00 O ATOM 0 H ASP A 53 4.754 -0.265 6.124 1.00 0.00 H new ATOM 0 HA ASP A 53 6.815 1.380 7.324 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.727 2.233 5.355 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.821 0.487 5.238 1.00 0.00 H new ATOM 807 N PHE A 54 5.527 3.481 6.520 1.00 0.00 N ATOM 808 CA PHE A 54 4.729 4.674 6.405 1.00 0.00 C ATOM 809 C PHE A 54 5.460 5.603 5.451 1.00 0.00 C ATOM 810 O PHE A 54 6.698 5.595 5.392 1.00 0.00 O ATOM 811 CB PHE A 54 4.617 5.328 7.786 1.00 0.00 C ATOM 812 CG PHE A 54 3.218 5.418 8.320 1.00 0.00 C ATOM 813 CD1 PHE A 54 2.597 4.273 8.848 1.00 0.00 C ATOM 814 CD2 PHE A 54 2.561 6.661 8.323 1.00 0.00 C ATOM 815 CE1 PHE A 54 1.313 4.380 9.402 1.00 0.00 C ATOM 816 CE2 PHE A 54 1.273 6.761 8.860 1.00 0.00 C ATOM 817 CZ PHE A 54 0.652 5.617 9.388 1.00 0.00 C ATOM 0 H PHE A 54 6.507 3.686 6.716 1.00 0.00 H new ATOM 0 HA PHE A 54 3.727 4.455 6.037 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.226 4.763 8.492 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.038 6.332 7.734 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.104 3.320 8.827 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.048 7.534 7.913 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.836 3.514 9.837 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.760 7.711 8.869 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.348 5.691 9.789 1.00 0.00 H new ATOM 827 N VAL A 55 4.700 6.483 4.811 1.00 0.00 N ATOM 828 CA VAL A 55 5.206 7.509 3.919 1.00 0.00 C ATOM 829 C VAL A 55 4.684 8.871 4.405 1.00 0.00 C ATOM 830 O VAL A 55 4.019 8.941 5.440 1.00 0.00 O ATOM 831 CB VAL A 55 4.825 7.126 2.465 1.00 0.00 C ATOM 832 CG1 VAL A 55 6.057 6.592 1.728 1.00 0.00 C ATOM 833 CG2 VAL A 55 3.692 6.093 2.319 1.00 0.00 C ATOM 0 H VAL A 55 3.684 6.500 4.904 1.00 0.00 H new ATOM 0 HA VAL A 55 6.293 7.588 3.926 1.00 0.00 H new ATOM 0 HB VAL A 55 4.448 8.052 2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.783 6.325 0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.830 7.360 1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.436 5.710 2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.509 5.900 1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.980 5.165 2.813 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.784 6.482 2.779 1.00 0.00 H new ATOM 843 N ASP A 56 4.978 9.960 3.689 1.00 0.00 N ATOM 844 CA ASP A 56 4.802 11.315 4.231 1.00 0.00 C ATOM 845 C ASP A 56 3.339 11.721 4.390 1.00 0.00 C ATOM 846 O ASP A 56 2.910 12.106 5.466 1.00 0.00 O ATOM 847 CB ASP A 56 5.490 12.357 3.340 1.00 0.00 C ATOM 848 CG ASP A 56 5.456 13.721 4.017 1.00 0.00 C ATOM 849 OD1 ASP A 56 6.249 13.930 4.957 1.00 0.00 O ATOM 850 OD2 ASP A 56 4.650 14.579 3.595 1.00 0.00 O ATOM 0 H ASP A 56 5.338 9.933 2.735 1.00 0.00 H new ATOM 0 HA ASP A 56 5.259 11.288 5.220 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.522 12.061 3.150 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.990 12.409 2.373 1.00 0.00 H new ATOM 855 N SER A 57 2.647 11.785 3.254 1.00 0.00 N ATOM 856 CA SER A 57 1.288 12.239 2.942 1.00 0.00 C ATOM 857 C SER A 57 1.280 12.724 1.488 1.00 0.00 C ATOM 858 O SER A 57 0.353 12.434 0.733 1.00 0.00 O ATOM 859 CB SER A 57 0.706 13.291 3.906 1.00 0.00 C ATOM 860 OG SER A 57 1.652 14.235 4.363 1.00 0.00 O ATOM 0 H SER A 57 3.099 11.469 2.396 1.00 0.00 H new ATOM 0 HA SER A 57 0.618 11.390 3.078 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.106 13.818 3.405 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.272 12.781 4.766 1.00 0.00 H new ATOM 0 HG SER A 57 2.270 13.802 4.989 1.00 0.00 H new ATOM 866 N SER A 58 2.351 13.410 1.076 1.00 0.00 N ATOM 867 CA SER A 58 2.472 14.060 -0.231 1.00 0.00 C ATOM 868 C SER A 58 3.040 13.126 -1.303 1.00 0.00 C ATOM 869 O SER A 58 3.296 13.526 -2.439 1.00 0.00 O ATOM 870 CB SER A 58 3.348 15.296 -0.042 1.00 0.00 C ATOM 871 OG SER A 58 4.663 14.935 0.344 1.00 0.00 O ATOM 0 H SER A 58 3.179 13.531 1.659 1.00 0.00 H new ATOM 0 HA SER A 58 1.483 14.340 -0.593 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.382 15.867 -0.970 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.908 15.945 0.716 1.00 0.00 H new ATOM 0 HG SER A 58 4.691 14.789 1.313 1.00 0.00 H new ATOM 877 N VAL A 59 3.309 11.883 -0.919 1.00 0.00 N ATOM 878 CA VAL A 59 3.884 10.855 -1.756 1.00 0.00 C ATOM 879 C VAL A 59 2.797 10.358 -2.709 1.00 0.00 C ATOM 880 O VAL A 59 1.686 10.070 -2.261 1.00 0.00 O ATOM 881 CB VAL A 59 4.415 9.747 -0.827 1.00 0.00 C ATOM 882 CG1 VAL A 59 4.934 8.545 -1.617 1.00 0.00 C ATOM 883 CG2 VAL A 59 5.564 10.263 0.054 1.00 0.00 C ATOM 0 H VAL A 59 3.121 11.557 0.029 1.00 0.00 H new ATOM 0 HA VAL A 59 4.714 11.217 -2.363 1.00 0.00 H new ATOM 0 HB VAL A 59 3.572 9.442 -0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.300 7.786 -0.926 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.126 8.129 -2.219 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.747 8.862 -2.270 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.918 9.458 0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.382 10.607 -0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.208 11.090 0.668 1.00 0.00 H new ATOM 893 N GLY A 60 3.135 10.213 -3.991 1.00 0.00 N ATOM 894 CA GLY A 60 2.388 9.438 -4.977 1.00 0.00 C ATOM 895 C GLY A 60 3.238 8.360 -5.659 1.00 0.00 C ATOM 896 O GLY A 60 2.751 7.652 -6.541 1.00 0.00 O ATOM 0 H GLY A 60 3.969 10.650 -4.384 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.535 8.966 -4.490 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.989 10.112 -5.735 1.00 0.00 H new ATOM 900 N TYR A 61 4.506 8.220 -5.279 1.00 0.00 N ATOM 901 CA TYR A 61 5.428 7.212 -5.786 1.00 0.00 C ATOM 902 C TYR A 61 6.310 6.762 -4.626 1.00 0.00 C ATOM 903 O TYR A 61 6.960 7.606 -3.992 1.00 0.00 O ATOM 904 CB TYR A 61 6.277 7.788 -6.928 1.00 0.00 C ATOM 905 CG TYR A 61 7.131 6.725 -7.592 1.00 0.00 C ATOM 906 CD1 TYR A 61 8.350 6.324 -7.013 1.00 0.00 C ATOM 907 CD2 TYR A 61 6.671 6.084 -8.754 1.00 0.00 C ATOM 908 CE1 TYR A 61 9.087 5.267 -7.571 1.00 0.00 C ATOM 909 CE2 TYR A 61 7.405 5.029 -9.319 1.00 0.00 C ATOM 910 CZ TYR A 61 8.611 4.598 -8.721 1.00 0.00 C ATOM 911 OH TYR A 61 9.333 3.585 -9.280 1.00 0.00 O ATOM 0 H TYR A 61 4.934 8.830 -4.583 1.00 0.00 H new ATOM 0 HA TYR A 61 4.878 6.361 -6.188 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.623 8.245 -7.671 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.919 8.579 -6.540 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.720 6.832 -6.135 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.748 6.404 -9.215 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.020 4.964 -7.120 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.046 4.544 -10.215 1.00 0.00 H new ATOM 0 HH TYR A 61 8.857 3.237 -10.063 1.00 0.00 H new ATOM 921 N TYR A 62 6.372 5.456 -4.355 1.00 0.00 N ATOM 922 CA TYR A 62 7.350 4.931 -3.390 1.00 0.00 C ATOM 923 C TYR A 62 7.872 3.595 -3.932 1.00 0.00 C ATOM 924 O TYR A 62 7.273 3.026 -4.838 1.00 0.00 O ATOM 925 CB TYR A 62 6.718 4.822 -1.988 1.00 0.00 C ATOM 926 CG TYR A 62 7.518 4.044 -0.953 1.00 0.00 C ATOM 927 CD1 TYR A 62 8.812 4.495 -0.617 1.00 0.00 C ATOM 928 CD2 TYR A 62 6.990 2.918 -0.292 1.00 0.00 C ATOM 929 CE1 TYR A 62 9.598 3.791 0.311 1.00 0.00 C ATOM 930 CE2 TYR A 62 7.764 2.229 0.660 1.00 0.00 C ATOM 931 CZ TYR A 62 9.080 2.643 0.953 1.00 0.00 C ATOM 932 OH TYR A 62 9.838 1.959 1.857 1.00 0.00 O ATOM 0 H TYR A 62 5.770 4.751 -4.780 1.00 0.00 H new ATOM 0 HA TYR A 62 8.198 5.606 -3.274 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.552 5.830 -1.607 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.739 4.354 -2.088 1.00 0.00 H new ATOM 0 HD1 TYR A 62 9.202 5.390 -1.078 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.988 2.582 -0.516 1.00 0.00 H new ATOM 0 HE1 TYR A 62 10.600 4.128 0.534 1.00 0.00 H new ATOM 0 HE2 TYR A 62 7.346 1.375 1.171 1.00 0.00 H new ATOM 0 HH TYR A 62 9.327 1.198 2.203 1.00 0.00 H new ATOM 942 N THR A 63 8.975 3.089 -3.386 1.00 0.00 N ATOM 943 CA THR A 63 9.581 1.816 -3.762 1.00 0.00 C ATOM 944 C THR A 63 10.095 1.155 -2.490 1.00 0.00 C ATOM 945 O THR A 63 10.860 1.785 -1.753 1.00 0.00 O ATOM 946 CB THR A 63 10.707 2.050 -4.781 1.00 0.00 C ATOM 947 OG1 THR A 63 10.173 2.654 -5.938 1.00 0.00 O ATOM 948 CG2 THR A 63 11.445 0.776 -5.200 1.00 0.00 C ATOM 0 H THR A 63 9.487 3.570 -2.646 1.00 0.00 H new ATOM 0 HA THR A 63 8.853 1.160 -4.239 1.00 0.00 H new ATOM 0 HB THR A 63 11.434 2.692 -4.283 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.914 3.577 -5.735 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.224 1.027 -5.920 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.897 0.312 -4.323 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.740 0.080 -5.655 1.00 0.00 H new ATOM 956 N VAL A 64 9.668 -0.086 -2.257 1.00 0.00 N ATOM 957 CA VAL A 64 10.033 -0.914 -1.115 1.00 0.00 C ATOM 958 C VAL A 64 11.220 -1.776 -1.541 1.00 0.00 C ATOM 959 O VAL A 64 11.340 -2.112 -2.722 1.00 0.00 O ATOM 960 CB VAL A 64 8.846 -1.804 -0.669 1.00 0.00 C ATOM 961 CG1 VAL A 64 8.927 -2.190 0.809 1.00 0.00 C ATOM 962 CG2 VAL A 64 7.479 -1.148 -0.897 1.00 0.00 C ATOM 0 H VAL A 64 9.027 -0.561 -2.892 1.00 0.00 H new ATOM 0 HA VAL A 64 10.296 -0.287 -0.263 1.00 0.00 H new ATOM 0 HB VAL A 64 8.932 -2.692 -1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.072 -2.813 1.070 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.848 -2.744 0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.919 -1.288 1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.691 -1.823 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.423 -0.218 -0.331 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.350 -0.936 -1.958 1.00 0.00 H new ATOM 972 N THR A 65 12.051 -2.178 -0.587 1.00 0.00 N ATOM 973 CA THR A 65 13.151 -3.118 -0.782 1.00 0.00 C ATOM 974 C THR A 65 12.907 -4.297 0.180 1.00 0.00 C ATOM 975 O THR A 65 11.755 -4.528 0.547 1.00 0.00 O ATOM 976 CB THR A 65 14.504 -2.382 -0.617 1.00 0.00 C ATOM 977 OG1 THR A 65 14.416 -0.986 -0.857 1.00 0.00 O ATOM 978 CG2 THR A 65 15.560 -2.900 -1.587 1.00 0.00 C ATOM 0 H THR A 65 11.976 -1.849 0.375 1.00 0.00 H new ATOM 0 HA THR A 65 13.196 -3.531 -1.790 1.00 0.00 H new ATOM 0 HB THR A 65 14.780 -2.574 0.420 1.00 0.00 H new ATOM 0 HG1 THR A 65 15.298 -0.577 -0.736 1.00 0.00 H new ATOM 0 HG21 THR A 65 16.492 -2.355 -1.435 1.00 0.00 H new ATOM 0 HG22 THR A 65 15.728 -3.962 -1.409 1.00 0.00 H new ATOM 0 HG23 THR A 65 15.217 -2.753 -2.611 1.00 0.00 H new ATOM 986 N GLY A 66 13.926 -5.082 0.557 1.00 0.00 N ATOM 987 CA GLY A 66 13.762 -6.156 1.540 1.00 0.00 C ATOM 988 C GLY A 66 12.722 -7.177 1.112 1.00 0.00 C ATOM 989 O GLY A 66 11.933 -7.658 1.930 1.00 0.00 O ATOM 0 H GLY A 66 14.875 -4.991 0.193 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.718 -6.657 1.691 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.473 -5.726 2.499 1.00 0.00 H new ATOM 993 N LEU A 67 12.706 -7.474 -0.182 1.00 0.00 N ATOM 994 CA LEU A 67 11.824 -8.401 -0.826 1.00 0.00 C ATOM 995 C LEU A 67 12.678 -9.516 -1.406 1.00 0.00 C ATOM 996 O LEU A 67 13.877 -9.342 -1.650 1.00 0.00 O ATOM 997 CB LEU A 67 11.055 -7.609 -1.887 1.00 0.00 C ATOM 998 CG LEU A 67 9.708 -7.139 -1.316 1.00 0.00 C ATOM 999 CD1 LEU A 67 9.244 -5.791 -1.850 1.00 0.00 C ATOM 1000 CD2 LEU A 67 8.625 -8.174 -1.600 1.00 0.00 C ATOM 0 H LEU A 67 13.355 -7.039 -0.838 1.00 0.00 H new ATOM 0 HA LEU A 67 11.099 -8.863 -0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.643 -6.749 -2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.890 -8.230 -2.768 1.00 0.00 H new ATOM 0 HG LEU A 67 9.871 -7.022 -0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.287 -5.531 -1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.982 -5.028 -1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.131 -5.848 -2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.676 -7.829 -1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.527 -8.312 -2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.897 -9.122 -1.136 1.00 0.00 H new ATOM 1012 N GLU A 68 12.066 -10.677 -1.571 1.00 0.00 N ATOM 1013 CA GLU A 68 12.698 -11.912 -1.981 1.00 0.00 C ATOM 1014 C GLU A 68 11.689 -12.672 -2.861 1.00 0.00 C ATOM 1015 O GLU A 68 10.672 -13.120 -2.327 1.00 0.00 O ATOM 1016 CB GLU A 68 13.137 -12.697 -0.736 1.00 0.00 C ATOM 1017 CG GLU A 68 14.389 -13.547 -0.982 1.00 0.00 C ATOM 1018 CD GLU A 68 14.250 -14.930 -0.351 1.00 0.00 C ATOM 1019 OE1 GLU A 68 14.346 -15.053 0.893 1.00 0.00 O ATOM 1020 OE2 GLU A 68 14.003 -15.902 -1.097 1.00 0.00 O ATOM 0 H GLU A 68 11.064 -10.785 -1.414 1.00 0.00 H new ATOM 0 HA GLU A 68 13.602 -11.743 -2.566 1.00 0.00 H new ATOM 0 HB2 GLU A 68 13.331 -11.999 0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.321 -13.344 -0.414 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.558 -13.649 -2.054 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.262 -13.042 -0.568 1.00 0.00 H new ATOM 1027 N PRO A 69 11.891 -12.743 -4.190 1.00 0.00 N ATOM 1028 CA PRO A 69 10.854 -13.117 -5.147 1.00 0.00 C ATOM 1029 C PRO A 69 10.515 -14.611 -5.126 1.00 0.00 C ATOM 1030 O PRO A 69 11.164 -15.411 -4.443 1.00 0.00 O ATOM 1031 CB PRO A 69 11.390 -12.675 -6.515 1.00 0.00 C ATOM 1032 CG PRO A 69 12.902 -12.768 -6.341 1.00 0.00 C ATOM 1033 CD PRO A 69 13.100 -12.348 -4.890 1.00 0.00 C ATOM 0 HA PRO A 69 9.910 -12.632 -4.897 1.00 0.00 H new ATOM 0 HB2 PRO A 69 11.036 -13.324 -7.316 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.074 -11.662 -6.763 1.00 0.00 H new ATOM 0 HG2 PRO A 69 13.269 -13.778 -6.524 1.00 0.00 H new ATOM 0 HG3 PRO A 69 13.430 -12.108 -7.029 1.00 0.00 H new ATOM 0 HD2 PRO A 69 13.976 -12.833 -4.460 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.261 -11.273 -4.814 1.00 0.00 H new ATOM 1041 N GLY A 70 9.515 -15.007 -5.925 1.00 0.00 N ATOM 1042 CA GLY A 70 9.126 -16.395 -6.142 1.00 0.00 C ATOM 1043 C GLY A 70 8.036 -16.843 -5.175 1.00 0.00 C ATOM 1044 O GLY A 70 7.155 -17.600 -5.586 1.00 0.00 O ATOM 0 H GLY A 70 8.942 -14.347 -6.450 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.774 -16.516 -7.166 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.999 -17.038 -6.027 1.00 0.00 H new ATOM 1048 N ILE A 71 8.055 -16.343 -3.939 1.00 0.00 N ATOM 1049 CA ILE A 71 6.974 -16.513 -2.971 1.00 0.00 C ATOM 1050 C ILE A 71 5.968 -15.405 -3.269 1.00 0.00 C ATOM 1051 O ILE A 71 6.346 -14.299 -3.626 1.00 0.00 O ATOM 1052 CB ILE A 71 7.515 -16.450 -1.520 1.00 0.00 C ATOM 1053 CG1 ILE A 71 8.242 -17.750 -1.096 1.00 0.00 C ATOM 1054 CG2 ILE A 71 6.416 -16.179 -0.465 1.00 0.00 C ATOM 1055 CD1 ILE A 71 9.469 -18.141 -1.930 1.00 0.00 C ATOM 0 H ILE A 71 8.838 -15.798 -3.577 1.00 0.00 H new ATOM 0 HA ILE A 71 6.499 -17.490 -3.058 1.00 0.00 H new ATOM 0 HB ILE A 71 8.214 -15.614 -1.543 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.553 -17.646 -0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.526 -18.571 -1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.865 -16.148 0.528 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.936 -15.223 -0.677 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.672 -16.975 -0.502 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.894 -19.066 -1.540 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.172 -18.288 -2.968 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.214 -17.348 -1.875 1.00 0.00 H new ATOM 1067 N ASP A 72 4.687 -15.705 -3.122 1.00 0.00 N ATOM 1068 CA ASP A 72 3.565 -14.777 -3.231 1.00 0.00 C ATOM 1069 C ASP A 72 3.523 -13.897 -1.972 1.00 0.00 C ATOM 1070 O ASP A 72 3.681 -14.414 -0.866 1.00 0.00 O ATOM 1071 CB ASP A 72 2.320 -15.669 -3.322 1.00 0.00 C ATOM 1072 CG ASP A 72 0.994 -14.942 -3.490 1.00 0.00 C ATOM 1073 OD1 ASP A 72 0.917 -13.716 -3.297 1.00 0.00 O ATOM 1074 OD2 ASP A 72 0.040 -15.626 -3.923 1.00 0.00 O ATOM 0 H ASP A 72 4.382 -16.655 -2.912 1.00 0.00 H new ATOM 0 HA ASP A 72 3.638 -14.112 -4.092 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.447 -16.352 -4.162 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.267 -16.279 -2.420 1.00 0.00 H new ATOM 1079 N TYR A 73 3.311 -12.586 -2.117 1.00 0.00 N ATOM 1080 CA TYR A 73 3.195 -11.620 -1.028 1.00 0.00 C ATOM 1081 C TYR A 73 1.836 -10.947 -1.178 1.00 0.00 C ATOM 1082 O TYR A 73 1.437 -10.624 -2.298 1.00 0.00 O ATOM 1083 CB TYR A 73 4.296 -10.542 -1.086 1.00 0.00 C ATOM 1084 CG TYR A 73 5.714 -10.966 -0.748 1.00 0.00 C ATOM 1085 CD1 TYR A 73 6.371 -11.905 -1.556 1.00 0.00 C ATOM 1086 CD2 TYR A 73 6.420 -10.336 0.295 1.00 0.00 C ATOM 1087 CE1 TYR A 73 7.701 -12.269 -1.304 1.00 0.00 C ATOM 1088 CE2 TYR A 73 7.774 -10.651 0.520 1.00 0.00 C ATOM 1089 CZ TYR A 73 8.413 -11.636 -0.266 1.00 0.00 C ATOM 1090 OH TYR A 73 9.728 -11.913 -0.067 1.00 0.00 O ATOM 0 H TYR A 73 3.212 -12.154 -3.036 1.00 0.00 H new ATOM 0 HA TYR A 73 3.301 -12.138 -0.075 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.302 -10.122 -2.092 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.015 -9.738 -0.406 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.844 -12.355 -2.385 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.923 -9.611 0.923 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.178 -13.031 -1.903 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.325 -10.139 1.295 1.00 0.00 H new ATOM 0 HH TYR A 73 10.087 -12.378 -0.852 1.00 0.00 H new ATOM 1100 N ASP A 74 1.155 -10.674 -0.064 1.00 0.00 N ATOM 1101 CA ASP A 74 0.016 -9.759 -0.057 1.00 0.00 C ATOM 1102 C ASP A 74 0.631 -8.407 0.297 1.00 0.00 C ATOM 1103 O ASP A 74 1.115 -8.222 1.422 1.00 0.00 O ATOM 1104 CB ASP A 74 -1.016 -10.115 1.032 1.00 0.00 C ATOM 1105 CG ASP A 74 -2.204 -10.986 0.611 1.00 0.00 C ATOM 1106 OD1 ASP A 74 -3.132 -10.468 -0.048 1.00 0.00 O ATOM 1107 OD2 ASP A 74 -2.277 -12.160 1.047 1.00 0.00 O ATOM 0 H ASP A 74 1.375 -11.076 0.847 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.509 -9.788 -1.012 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.492 -10.625 1.840 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.408 -9.185 1.444 1.00 0.00 H new ATOM 1112 N ILE A 75 0.659 -7.471 -0.647 1.00 0.00 N ATOM 1113 CA ILE A 75 1.228 -6.145 -0.450 1.00 0.00 C ATOM 1114 C ILE A 75 0.047 -5.201 -0.224 1.00 0.00 C ATOM 1115 O ILE A 75 -0.665 -4.838 -1.167 1.00 0.00 O ATOM 1116 CB ILE A 75 2.117 -5.755 -1.651 1.00 0.00 C ATOM 1117 CG1 ILE A 75 3.229 -6.791 -1.942 1.00 0.00 C ATOM 1118 CG2 ILE A 75 2.705 -4.334 -1.517 1.00 0.00 C ATOM 1119 CD1 ILE A 75 3.065 -7.479 -3.296 1.00 0.00 C ATOM 0 H ILE A 75 0.281 -7.616 -1.583 1.00 0.00 H new ATOM 0 HA ILE A 75 1.891 -6.099 0.414 1.00 0.00 H new ATOM 0 HB ILE A 75 1.450 -5.753 -2.513 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.199 -6.294 -1.908 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.230 -7.545 -1.155 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.321 -4.112 -2.388 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.894 -3.609 -1.452 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.316 -4.276 -0.616 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.875 -8.194 -3.441 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.110 -8.003 -3.325 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.093 -6.732 -4.089 1.00 0.00 H new ATOM 1131 N SER A 76 -0.207 -4.844 1.033 1.00 0.00 N ATOM 1132 CA SER A 76 -1.322 -3.996 1.444 1.00 0.00 C ATOM 1133 C SER A 76 -0.878 -2.546 1.548 1.00 0.00 C ATOM 1134 O SER A 76 0.245 -2.286 1.980 1.00 0.00 O ATOM 1135 CB SER A 76 -1.870 -4.486 2.782 1.00 0.00 C ATOM 1136 OG SER A 76 -1.963 -5.902 2.848 1.00 0.00 O ATOM 0 H SER A 76 0.374 -5.146 1.815 1.00 0.00 H new ATOM 0 HA SER A 76 -2.110 -4.055 0.694 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.226 -4.130 3.586 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.856 -4.053 2.947 1.00 0.00 H new ATOM 0 HG SER A 76 -2.317 -6.166 3.723 1.00 0.00 H new ATOM 1142 N VAL A 77 -1.756 -1.606 1.197 1.00 0.00 N ATOM 1143 CA VAL A 77 -1.517 -0.173 1.244 1.00 0.00 C ATOM 1144 C VAL A 77 -2.812 0.466 1.767 1.00 0.00 C ATOM 1145 O VAL A 77 -3.805 0.618 1.043 1.00 0.00 O ATOM 1146 CB VAL A 77 -1.065 0.352 -0.139 1.00 0.00 C ATOM 1147 CG1 VAL A 77 -0.795 1.873 -0.108 1.00 0.00 C ATOM 1148 CG2 VAL A 77 0.153 -0.432 -0.684 1.00 0.00 C ATOM 0 H VAL A 77 -2.690 -1.837 0.859 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.699 0.091 1.914 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.890 0.182 -0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.479 2.207 -1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.706 2.398 0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.009 2.088 0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.438 -0.031 -1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.989 -0.333 0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.109 -1.485 -0.788 1.00 0.00 H new ATOM 1158 N ILE A 78 -2.840 0.765 3.065 1.00 0.00 N ATOM 1159 CA ILE A 78 -3.956 1.417 3.733 1.00 0.00 C ATOM 1160 C ILE A 78 -3.732 2.926 3.643 1.00 0.00 C ATOM 1161 O ILE A 78 -2.617 3.425 3.807 1.00 0.00 O ATOM 1162 CB ILE A 78 -4.082 0.949 5.202 1.00 0.00 C ATOM 1163 CG1 ILE A 78 -4.014 -0.585 5.382 1.00 0.00 C ATOM 1164 CG2 ILE A 78 -5.381 1.492 5.829 1.00 0.00 C ATOM 1165 CD1 ILE A 78 -5.066 -1.361 4.582 1.00 0.00 C ATOM 0 H ILE A 78 -2.065 0.553 3.694 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.894 1.150 3.246 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.213 1.358 5.718 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.023 -0.930 5.087 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.132 -0.821 6.440 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.455 1.154 6.863 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.370 2.582 5.803 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.238 1.125 5.265 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.948 -2.429 4.765 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.063 -1.048 4.892 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.937 -1.159 3.519 1.00 0.00 H new ATOM 1177 N THR A 79 -4.805 3.663 3.401 1.00 0.00 N ATOM 1178 CA THR A 79 -4.835 5.112 3.393 1.00 0.00 C ATOM 1179 C THR A 79 -5.532 5.549 4.682 1.00 0.00 C ATOM 1180 O THR A 79 -6.578 4.985 5.020 1.00 0.00 O ATOM 1181 CB THR A 79 -5.635 5.521 2.154 1.00 0.00 C ATOM 1182 OG1 THR A 79 -5.090 4.945 0.986 1.00 0.00 O ATOM 1183 CG2 THR A 79 -5.727 7.034 1.983 1.00 0.00 C ATOM 0 H THR A 79 -5.714 3.248 3.197 1.00 0.00 H new ATOM 0 HA THR A 79 -3.848 5.572 3.353 1.00 0.00 H new ATOM 0 HB THR A 79 -6.646 5.144 2.309 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.766 4.943 0.276 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.305 7.265 1.088 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.217 7.469 2.854 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.725 7.451 1.884 1.00 0.00 H new ATOM 1191 N LEU A 80 -4.975 6.529 5.401 1.00 0.00 N ATOM 1192 CA LEU A 80 -5.516 7.003 6.667 1.00 0.00 C ATOM 1193 C LEU A 80 -5.633 8.526 6.617 1.00 0.00 C ATOM 1194 O LEU A 80 -4.666 9.221 6.293 1.00 0.00 O ATOM 1195 CB LEU A 80 -4.639 6.600 7.851 1.00 0.00 C ATOM 1196 CG LEU A 80 -3.117 6.613 7.616 1.00 0.00 C ATOM 1197 CD1 LEU A 80 -2.446 7.008 8.931 1.00 0.00 C ATOM 1198 CD2 LEU A 80 -2.607 5.251 7.147 1.00 0.00 C ATOM 0 H LEU A 80 -4.127 7.017 5.112 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.495 6.545 6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.861 7.268 8.683 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.927 5.596 8.163 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.877 7.328 6.829 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.364 7.026 8.797 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.791 7.997 9.233 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.703 6.283 9.703 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.529 5.300 6.992 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.831 4.499 7.903 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.096 4.982 6.211 1.00 0.00 H new ATOM 1210 N ILE A 81 -6.816 9.057 6.930 1.00 0.00 N ATOM 1211 CA ILE A 81 -7.144 10.473 6.774 1.00 0.00 C ATOM 1212 C ILE A 81 -7.863 10.997 8.031 1.00 0.00 C ATOM 1213 O ILE A 81 -7.892 10.319 9.064 1.00 0.00 O ATOM 1214 CB ILE A 81 -7.896 10.723 5.433 1.00 0.00 C ATOM 1215 CG1 ILE A 81 -9.380 10.309 5.476 1.00 0.00 C ATOM 1216 CG2 ILE A 81 -7.221 10.017 4.242 1.00 0.00 C ATOM 1217 CD1 ILE A 81 -10.171 10.770 4.244 1.00 0.00 C ATOM 0 H ILE A 81 -7.586 8.504 7.306 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.230 11.062 6.696 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.845 11.803 5.292 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.446 9.224 5.557 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.841 10.724 6.372 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.783 10.222 3.331 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.202 10.386 4.130 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.200 8.942 4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.208 10.447 4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.134 11.857 4.174 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -9.733 10.334 3.346 1.00 0.00 H new ATOM 1229 N ASN A 82 -8.441 12.202 7.930 1.00 0.00 N ATOM 1230 CA ASN A 82 -9.407 12.794 8.861 1.00 0.00 C ATOM 1231 C ASN A 82 -10.318 11.716 9.445 1.00 0.00 C ATOM 1232 O ASN A 82 -11.106 11.154 8.685 1.00 0.00 O ATOM 1233 CB ASN A 82 -10.265 13.821 8.096 1.00 0.00 C ATOM 1234 CG ASN A 82 -11.450 14.294 8.932 1.00 0.00 C ATOM 1235 OD1 ASN A 82 -11.308 15.197 9.745 1.00 0.00 O ATOM 1236 ND2 ASN A 82 -12.625 13.721 8.743 1.00 0.00 N ATOM 0 H ASN A 82 -8.233 12.825 7.149 1.00 0.00 H new ATOM 0 HA ASN A 82 -8.869 13.277 9.677 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -9.649 14.677 7.819 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -10.627 13.376 7.169 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -13.435 14.030 9.280 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -12.722 12.970 8.060 1.00 0.00 H new ATOM 1243 N GLY A 83 -10.174 11.427 10.744 1.00 0.00 N ATOM 1244 CA GLY A 83 -10.918 10.440 11.525 1.00 0.00 C ATOM 1245 C GLY A 83 -11.450 9.274 10.699 1.00 0.00 C ATOM 1246 O GLY A 83 -12.654 9.014 10.718 1.00 0.00 O ATOM 0 H GLY A 83 -9.483 11.914 11.315 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -10.271 10.051 12.311 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.755 10.936 12.017 1.00 0.00 H new ATOM 1250 N GLY A 84 -10.595 8.615 9.913 1.00 0.00 N ATOM 1251 CA GLY A 84 -11.071 7.749 8.855 1.00 0.00 C ATOM 1252 C GLY A 84 -9.925 6.990 8.207 1.00 0.00 C ATOM 1253 O GLY A 84 -8.758 7.378 8.301 1.00 0.00 O ATOM 0 H GLY A 84 -9.580 8.670 9.995 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.796 7.042 9.259 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.589 8.342 8.102 1.00 0.00 H new ATOM 1257 N GLU A 85 -10.275 5.905 7.529 1.00 0.00 N ATOM 1258 CA GLU A 85 -9.395 4.997 6.817 1.00 0.00 C ATOM 1259 C GLU A 85 -10.178 4.546 5.599 1.00 0.00 C ATOM 1260 O GLU A 85 -11.402 4.383 5.684 1.00 0.00 O ATOM 1261 CB GLU A 85 -9.089 3.758 7.664 1.00 0.00 C ATOM 1262 CG GLU A 85 -8.126 4.028 8.819 1.00 0.00 C ATOM 1263 CD GLU A 85 -8.242 2.914 9.846 1.00 0.00 C ATOM 1264 OE1 GLU A 85 -7.499 1.911 9.746 1.00 0.00 O ATOM 1265 OE2 GLU A 85 -9.050 3.079 10.793 1.00 0.00 O ATOM 0 H GLU A 85 -11.252 5.619 7.459 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.453 5.487 6.572 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.022 3.363 8.065 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.666 2.985 7.022 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.103 4.089 8.447 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.355 4.988 9.281 1.00 0.00 H new ATOM 1272 N SER A 86 -9.488 4.336 4.487 1.00 0.00 N ATOM 1273 CA SER A 86 -10.119 3.929 3.248 1.00 0.00 C ATOM 1274 C SER A 86 -10.133 2.403 3.149 1.00 0.00 C ATOM 1275 O SER A 86 -9.721 1.693 4.078 1.00 0.00 O ATOM 1276 CB SER A 86 -9.423 4.605 2.066 1.00 0.00 C ATOM 1277 OG SER A 86 -8.900 5.880 2.407 1.00 0.00 O ATOM 0 H SER A 86 -8.476 4.444 4.422 1.00 0.00 H new ATOM 0 HA SER A 86 -11.159 4.253 3.227 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.615 3.967 1.709 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.130 4.713 1.244 1.00 0.00 H new ATOM 0 HG SER A 86 -9.334 6.568 1.861 1.00 0.00 H new ATOM 1283 N ALA A 87 -10.618 1.893 2.015 1.00 0.00 N ATOM 1284 CA ALA A 87 -10.613 0.464 1.756 1.00 0.00 C ATOM 1285 C ALA A 87 -9.170 -0.063 1.776 1.00 0.00 C ATOM 1286 O ALA A 87 -8.245 0.653 1.362 1.00 0.00 O ATOM 1287 CB ALA A 87 -11.270 0.177 0.403 1.00 0.00 C ATOM 0 H ALA A 87 -11.019 2.455 1.264 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.182 -0.045 2.534 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.263 -0.897 0.215 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.299 0.536 0.415 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.717 0.687 -0.386 1.00 0.00 H new ATOM 1293 N PRO A 88 -8.960 -1.312 2.220 1.00 0.00 N ATOM 1294 CA PRO A 88 -7.672 -1.963 2.117 1.00 0.00 C ATOM 1295 C PRO A 88 -7.420 -2.286 0.644 1.00 0.00 C ATOM 1296 O PRO A 88 -7.921 -3.286 0.130 1.00 0.00 O ATOM 1297 CB PRO A 88 -7.770 -3.202 3.015 1.00 0.00 C ATOM 1298 CG PRO A 88 -9.255 -3.566 2.968 1.00 0.00 C ATOM 1299 CD PRO A 88 -9.947 -2.213 2.805 1.00 0.00 C ATOM 0 HA PRO A 88 -6.829 -1.355 2.445 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.146 -4.016 2.645 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.442 -2.987 4.032 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.479 -4.234 2.136 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.573 -4.073 3.879 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.823 -2.300 2.162 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -10.294 -1.836 3.767 1.00 0.00 H new ATOM 1307 N THR A 89 -6.643 -1.462 -0.054 1.00 0.00 N ATOM 1308 CA THR A 89 -6.190 -1.817 -1.384 1.00 0.00 C ATOM 1309 C THR A 89 -4.961 -2.683 -1.139 1.00 0.00 C ATOM 1310 O THR A 89 -4.005 -2.271 -0.477 1.00 0.00 O ATOM 1311 CB THR A 89 -5.944 -0.569 -2.244 1.00 0.00 C ATOM 1312 OG1 THR A 89 -7.183 0.081 -2.458 1.00 0.00 O ATOM 1313 CG2 THR A 89 -5.372 -0.925 -3.618 1.00 0.00 C ATOM 0 H THR A 89 -6.320 -0.554 0.280 1.00 0.00 H new ATOM 0 HA THR A 89 -6.927 -2.368 -1.968 1.00 0.00 H new ATOM 0 HB THR A 89 -5.230 0.063 -1.716 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.042 0.882 -3.005 1.00 0.00 H new ATOM 0 HG21 THR A 89 -5.213 -0.013 -4.193 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.422 -1.445 -3.493 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.072 -1.571 -4.148 1.00 0.00 H new ATOM 1321 N THR A 90 -5.053 -3.920 -1.610 1.00 0.00 N ATOM 1322 CA THR A 90 -4.038 -4.940 -1.482 1.00 0.00 C ATOM 1323 C THR A 90 -3.887 -5.516 -2.887 1.00 0.00 C ATOM 1324 O THR A 90 -4.876 -5.665 -3.613 1.00 0.00 O ATOM 1325 CB THR A 90 -4.451 -5.960 -0.402 1.00 0.00 C ATOM 1326 OG1 THR A 90 -4.831 -5.251 0.770 1.00 0.00 O ATOM 1327 CG2 THR A 90 -3.330 -6.958 -0.077 1.00 0.00 C ATOM 0 H THR A 90 -5.877 -4.247 -2.113 1.00 0.00 H new ATOM 0 HA THR A 90 -3.071 -4.571 -1.139 1.00 0.00 H new ATOM 0 HB THR A 90 -5.287 -6.544 -0.786 1.00 0.00 H new ATOM 0 HG1 THR A 90 -5.098 -5.888 1.465 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.673 -7.654 0.689 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.064 -7.512 -0.977 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.457 -6.418 0.288 1.00 0.00 H new ATOM 1335 N LEU A 91 -2.646 -5.754 -3.301 1.00 0.00 N ATOM 1336 CA LEU A 91 -2.310 -6.436 -4.539 1.00 0.00 C ATOM 1337 C LEU A 91 -1.498 -7.638 -4.088 1.00 0.00 C ATOM 1338 O LEU A 91 -0.657 -7.504 -3.195 1.00 0.00 O ATOM 1339 CB LEU A 91 -1.507 -5.533 -5.493 1.00 0.00 C ATOM 1340 CG LEU A 91 -2.195 -5.243 -6.833 1.00 0.00 C ATOM 1341 CD1 LEU A 91 -1.464 -4.111 -7.568 1.00 0.00 C ATOM 1342 CD2 LEU A 91 -2.240 -6.482 -7.734 1.00 0.00 C ATOM 0 H LEU A 91 -1.826 -5.468 -2.767 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.196 -6.720 -5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.305 -4.586 -4.992 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.543 -6.002 -5.689 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.220 -4.945 -6.612 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.961 -3.914 -8.518 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.480 -3.209 -6.956 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.431 -4.405 -7.753 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.735 -6.232 -8.672 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.224 -6.820 -7.939 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.792 -7.277 -7.233 1.00 0.00 H new ATOM 1354 N THR A 92 -1.784 -8.789 -4.672 1.00 0.00 N ATOM 1355 CA THR A 92 -1.314 -10.084 -4.208 1.00 0.00 C ATOM 1356 C THR A 92 -0.841 -10.863 -5.440 1.00 0.00 C ATOM 1357 O THR A 92 -0.931 -10.365 -6.573 1.00 0.00 O ATOM 1358 CB THR A 92 -2.435 -10.783 -3.400 1.00 0.00 C ATOM 1359 OG1 THR A 92 -3.103 -9.812 -2.603 1.00 0.00 O ATOM 1360 CG2 THR A 92 -1.969 -11.956 -2.530 1.00 0.00 C ATOM 0 H THR A 92 -2.367 -8.850 -5.507 1.00 0.00 H new ATOM 0 HA THR A 92 -0.471 -10.005 -3.522 1.00 0.00 H new ATOM 0 HB THR A 92 -3.109 -11.228 -4.132 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.878 -9.952 -1.660 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.824 -12.380 -2.003 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.516 -12.720 -3.162 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.235 -11.603 -1.805 1.00 0.00 H new ATOM 1368 N GLN A 93 -0.355 -12.083 -5.227 1.00 0.00 N ATOM 1369 CA GLN A 93 0.354 -12.934 -6.169 1.00 0.00 C ATOM 1370 C GLN A 93 1.781 -12.404 -6.286 1.00 0.00 C ATOM 1371 O GLN A 93 2.003 -11.191 -6.248 1.00 0.00 O ATOM 1372 CB GLN A 93 -0.363 -13.083 -7.527 1.00 0.00 C ATOM 1373 CG GLN A 93 -0.389 -14.541 -8.005 1.00 0.00 C ATOM 1374 CD GLN A 93 -1.583 -15.311 -7.434 1.00 0.00 C ATOM 1375 OE1 GLN A 93 -2.633 -15.391 -8.070 1.00 0.00 O ATOM 1376 NE2 GLN A 93 -1.489 -15.892 -6.250 1.00 0.00 N ATOM 0 H GLN A 93 -0.457 -12.535 -4.318 1.00 0.00 H new ATOM 0 HA GLN A 93 0.376 -13.956 -5.791 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.384 -12.711 -7.441 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.139 -12.466 -8.272 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.430 -14.565 -9.094 1.00 0.00 H new ATOM 0 HG3 GLN A 93 0.536 -15.036 -7.710 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -0.621 -15.829 -5.718 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -2.285 -16.403 -5.868 1.00 0.00 H new ATOM 1385 N GLN A 94 2.759 -13.301 -6.447 1.00 0.00 N ATOM 1386 CA GLN A 94 4.146 -12.908 -6.646 1.00 0.00 C ATOM 1387 C GLN A 94 4.254 -12.119 -7.958 1.00 0.00 C ATOM 1388 O GLN A 94 4.262 -10.892 -7.985 1.00 0.00 O ATOM 1389 CB GLN A 94 5.057 -14.147 -6.655 1.00 0.00 C ATOM 1390 CG GLN A 94 6.518 -13.901 -7.087 1.00 0.00 C ATOM 1391 CD GLN A 94 7.172 -12.629 -6.538 1.00 0.00 C ATOM 1392 OE1 GLN A 94 7.312 -11.586 -7.334 1.00 0.00 O flip ATOM 1393 NE2 GLN A 94 7.629 -12.593 -5.410 1.00 0.00 N flip ATOM 0 H GLN A 94 2.608 -14.310 -6.442 1.00 0.00 H new ATOM 0 HA GLN A 94 4.475 -12.271 -5.825 1.00 0.00 H new ATOM 0 HB2 GLN A 94 5.061 -14.579 -5.654 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.621 -14.891 -7.322 1.00 0.00 H new ATOM 0 HG2 GLN A 94 7.117 -14.757 -6.778 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.553 -13.864 -8.176 1.00 0.00 H new ATOM 0 HE21 GLN A 94 7.523 -13.397 -4.791 1.00 0.00 H new ATOM 0 HE22 GLN A 94 8.118 -11.759 -5.084 1.00 0.00 H new ATOM 1402 N THR A 95 4.380 -12.908 -9.019 1.00 0.00 N ATOM 1403 CA THR A 95 4.880 -12.574 -10.339 1.00 0.00 C ATOM 1404 C THR A 95 5.992 -11.537 -10.297 1.00 0.00 C ATOM 1405 O THR A 95 5.752 -10.332 -10.477 1.00 0.00 O ATOM 1406 CB THR A 95 3.735 -12.258 -11.312 1.00 0.00 C ATOM 1407 OG1 THR A 95 2.848 -11.299 -10.788 1.00 0.00 O ATOM 1408 CG2 THR A 95 2.901 -13.505 -11.613 1.00 0.00 C ATOM 1409 OXT THR A 95 7.155 -11.966 -10.167 1.00 0.00 O ATOM 0 H THR A 95 4.108 -13.890 -8.967 1.00 0.00 H new ATOM 0 HA THR A 95 5.365 -13.460 -10.749 1.00 0.00 H new ATOM 0 HB THR A 95 4.214 -11.879 -12.215 1.00 0.00 H new ATOM 0 HG1 THR A 95 2.135 -11.124 -11.437 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.099 -13.248 -12.305 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.537 -14.268 -12.062 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.473 -13.889 -10.687 1.00 0.00 H new