USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 674 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 52 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 58 THR OG1 : rot 140:sc= 0.00647 USER MOD Single : A 9 MET CE :methyl -150:sc= -0.623 (180deg=-0.714) USER MOD Single : A 10 LYS NZ :NH3+ -157:sc= -0.0129 (180deg=-0.281) USER MOD Single : A 11 GLN : amide:sc= -3.51! C(o=-3.5!,f=-3.3!) USER MOD Single : A 17 LYS NZ :NH3+ -172:sc= 0.596 (180deg=0.56) USER MOD Single : A 19 GLN : amide:sc= 0.0429 X(o=0.043,f=-0.06) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.419 K(o=-0.42,f=-4.2!) USER MOD Single : A 35 THR OG1 : rot -146:sc= 0.416 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.404 K(o=-0.4,f=-6.8!) USER MOD Single : A 47 ASN : amide:sc= 0.447 K(o=0.45,f=-4.9!) USER MOD Single : A 56 SER OG : rot -50:sc= 0.323 USER MOD Single : A 57 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0049) USER MOD Single : A 60 MET CE :methyl 163:sc= -1.44 (180deg=-2.17) USER MOD Single : A 62 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.48) USER MOD Single : A 63 TYR OH : rot 23:sc= 0.00256 USER MOD Single : A 66 SER OG : rot -56:sc= 0.524 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl 163:sc= -1.34 (180deg=-1.91!) USER MOD Single : A 82 TYR OH : rot -171:sc= -0.21 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN :FLIP amide:sc= -0.258 F(o=-1.1,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 68 N ASP A 8 2.982 8.213 1.821 1.00 0.00 N ATOM 69 CA ASP A 8 1.626 8.725 1.649 1.00 0.00 C ATOM 70 C ASP A 8 0.595 7.658 2.000 1.00 0.00 C ATOM 71 O ASP A 8 -0.415 7.504 1.312 1.00 0.00 O ATOM 72 CB ASP A 8 1.418 9.203 0.210 1.00 0.00 C ATOM 73 CG ASP A 8 1.902 10.624 -0.002 1.00 0.00 C ATOM 74 OD1 ASP A 8 3.116 10.808 -0.236 1.00 0.00 O ATOM 75 OD2 ASP A 8 1.069 11.551 0.066 1.00 0.00 O ATOM 0 HA ASP A 8 1.492 9.569 2.326 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.947 8.536 -0.471 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.359 9.141 -0.041 1.00 0.00 H new ATOM 80 N MET A 9 0.854 6.922 3.076 1.00 0.00 N ATOM 81 CA MET A 9 -0.051 5.869 3.520 1.00 0.00 C ATOM 82 C MET A 9 -0.995 6.379 4.605 1.00 0.00 C ATOM 83 O MET A 9 -2.097 5.859 4.777 1.00 0.00 O ATOM 84 CB MET A 9 0.743 4.671 4.042 1.00 0.00 C ATOM 85 CG MET A 9 1.439 3.878 2.946 1.00 0.00 C ATOM 86 SD MET A 9 1.269 2.096 3.160 1.00 0.00 S ATOM 87 CE MET A 9 -0.006 1.730 1.956 1.00 0.00 C ATOM 0 H MET A 9 1.685 7.036 3.657 1.00 0.00 H new ATOM 0 HA MET A 9 -0.648 5.556 2.664 1.00 0.00 H new ATOM 0 HB2 MET A 9 1.489 5.023 4.754 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.070 4.009 4.587 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.027 4.164 1.979 1.00 0.00 H new ATOM 0 HG3 MET A 9 2.497 4.139 2.931 1.00 0.00 H new ATOM 0 HE1 MET A 9 -0.589 0.872 2.292 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.662 2.594 1.846 1.00 0.00 H new ATOM 0 HE3 MET A 9 0.456 1.501 0.996 1.00 0.00 H new ATOM 97 N LYS A 10 -0.556 7.399 5.336 1.00 0.00 N ATOM 98 CA LYS A 10 -1.363 7.978 6.406 1.00 0.00 C ATOM 99 C LYS A 10 -2.727 8.423 5.884 1.00 0.00 C ATOM 100 O LYS A 10 -3.716 8.418 6.618 1.00 0.00 O ATOM 101 CB LYS A 10 -0.632 9.165 7.038 1.00 0.00 C ATOM 102 CG LYS A 10 -0.018 8.848 8.393 1.00 0.00 C ATOM 103 CD LYS A 10 1.474 8.579 8.281 1.00 0.00 C ATOM 104 CE LYS A 10 1.886 7.371 9.107 1.00 0.00 C ATOM 105 NZ LYS A 10 1.436 7.486 10.522 1.00 0.00 N ATOM 0 H LYS A 10 0.354 7.842 5.207 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.520 7.210 7.164 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.154 9.500 6.361 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.331 9.994 7.150 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.188 9.682 9.074 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.514 7.978 8.824 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.738 8.414 7.236 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.029 9.456 8.615 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.465 6.468 8.665 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.970 7.264 9.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.033 6.886 11.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.514 8.476 10.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.446 7.177 10.598 1.00 0.00 H new ATOM 119 N GLN A 11 -2.773 8.807 4.612 1.00 0.00 N ATOM 120 CA GLN A 11 -4.016 9.253 3.993 1.00 0.00 C ATOM 121 C GLN A 11 -5.049 8.131 3.973 1.00 0.00 C ATOM 122 O GLN A 11 -6.250 8.378 4.086 1.00 0.00 O ATOM 123 CB GLN A 11 -3.754 9.746 2.570 1.00 0.00 C ATOM 124 CG GLN A 11 -2.891 8.803 1.748 1.00 0.00 C ATOM 125 CD GLN A 11 -3.330 8.724 0.299 1.00 0.00 C ATOM 126 OE1 GLN A 11 -4.440 8.285 -0.003 1.00 0.00 O ATOM 127 NE2 GLN A 11 -2.459 9.152 -0.607 1.00 0.00 N ATOM 0 H GLN A 11 -1.964 8.818 3.990 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.412 10.076 4.588 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.708 9.888 2.062 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.270 10.721 2.616 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.854 9.135 1.792 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.926 7.807 2.189 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.550 9.508 -0.312 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.699 9.125 -1.598 1.00 0.00 H new ATOM 136 N LEU A 12 -4.575 6.897 3.830 1.00 0.00 N ATOM 137 CA LEU A 12 -5.459 5.738 3.796 1.00 0.00 C ATOM 138 C LEU A 12 -6.163 5.552 5.137 1.00 0.00 C ATOM 139 O LEU A 12 -5.595 5.835 6.192 1.00 0.00 O ATOM 140 CB LEU A 12 -4.668 4.477 3.442 1.00 0.00 C ATOM 141 CG LEU A 12 -4.682 4.099 1.960 1.00 0.00 C ATOM 142 CD1 LEU A 12 -3.346 3.502 1.547 1.00 0.00 C ATOM 143 CD2 LEU A 12 -5.815 3.125 1.671 1.00 0.00 C ATOM 0 H LEU A 12 -3.584 6.675 3.736 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.215 5.911 3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.633 4.615 3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.067 3.642 4.018 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.847 5.004 1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.376 3.240 0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.554 4.231 1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.149 2.607 2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.811 2.866 0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.679 2.222 2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.768 3.588 1.928 1.00 0.00 H new ATOM 155 N ALA A 13 -7.402 5.076 5.088 1.00 0.00 N ATOM 156 CA ALA A 13 -8.183 4.851 6.297 1.00 0.00 C ATOM 157 C ALA A 13 -7.858 3.497 6.918 1.00 0.00 C ATOM 158 O ALA A 13 -7.428 2.574 6.226 1.00 0.00 O ATOM 159 CB ALA A 13 -9.670 4.951 5.991 1.00 0.00 C ATOM 0 H ALA A 13 -7.887 4.838 4.223 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.919 5.624 7.019 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.241 4.781 6.903 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.895 5.944 5.602 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.940 4.200 5.248 1.00 0.00 H new ATOM 165 N GLU A 14 -8.066 3.385 8.226 1.00 0.00 N ATOM 166 CA GLU A 14 -7.794 2.143 8.938 1.00 0.00 C ATOM 167 C GLU A 14 -8.671 1.010 8.413 1.00 0.00 C ATOM 168 O GLU A 14 -8.223 -0.131 8.294 1.00 0.00 O ATOM 169 CB GLU A 14 -8.028 2.329 10.438 1.00 0.00 C ATOM 170 CG GLU A 14 -7.203 1.391 11.304 1.00 0.00 C ATOM 171 CD GLU A 14 -7.917 1.000 12.583 1.00 0.00 C ATOM 172 OE1 GLU A 14 -8.310 1.907 13.346 1.00 0.00 O ATOM 173 OE2 GLU A 14 -8.083 -0.215 12.821 1.00 0.00 O ATOM 0 H GLU A 14 -8.422 4.139 8.813 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.750 1.879 8.769 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.795 3.359 10.709 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.085 2.174 10.654 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.965 0.492 10.735 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.256 1.870 11.553 1.00 0.00 H new ATOM 180 N ASP A 15 -9.920 1.334 8.099 1.00 0.00 N ATOM 181 CA ASP A 15 -10.861 0.343 7.587 1.00 0.00 C ATOM 182 C ASP A 15 -10.472 -0.100 6.180 1.00 0.00 C ATOM 183 O ASP A 15 -10.720 -1.239 5.786 1.00 0.00 O ATOM 184 CB ASP A 15 -12.281 0.913 7.580 1.00 0.00 C ATOM 185 CG ASP A 15 -13.018 0.640 8.876 1.00 0.00 C ATOM 186 OD1 ASP A 15 -12.435 0.883 9.953 1.00 0.00 O ATOM 187 OD2 ASP A 15 -14.179 0.185 8.814 1.00 0.00 O ATOM 0 H ASP A 15 -10.305 2.274 8.190 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.829 -0.526 8.244 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.237 1.989 7.409 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.839 0.481 6.749 1.00 0.00 H new ATOM 192 N VAL A 16 -9.861 0.809 5.425 1.00 0.00 N ATOM 193 CA VAL A 16 -9.437 0.512 4.063 1.00 0.00 C ATOM 194 C VAL A 16 -8.290 -0.492 4.051 1.00 0.00 C ATOM 195 O VAL A 16 -8.308 -1.462 3.294 1.00 0.00 O ATOM 196 CB VAL A 16 -8.997 1.788 3.320 1.00 0.00 C ATOM 197 CG1 VAL A 16 -8.700 1.484 1.859 1.00 0.00 C ATOM 198 CG2 VAL A 16 -10.060 2.871 3.440 1.00 0.00 C ATOM 0 H VAL A 16 -9.649 1.757 5.735 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.298 0.082 3.551 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.081 2.155 3.783 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.391 2.398 1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.900 0.746 1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.596 1.089 1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.731 3.764 2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.994 2.514 3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.217 3.111 4.491 1.00 0.00 H new ATOM 208 N LYS A 17 -7.293 -0.252 4.896 1.00 0.00 N ATOM 209 CA LYS A 17 -6.136 -1.135 4.984 1.00 0.00 C ATOM 210 C LYS A 17 -6.506 -2.456 5.653 1.00 0.00 C ATOM 211 O LYS A 17 -5.921 -3.497 5.358 1.00 0.00 O ATOM 212 CB LYS A 17 -5.007 -0.456 5.763 1.00 0.00 C ATOM 213 CG LYS A 17 -4.582 0.880 5.174 1.00 0.00 C ATOM 214 CD LYS A 17 -4.384 1.932 6.257 1.00 0.00 C ATOM 215 CE LYS A 17 -3.010 2.577 6.164 1.00 0.00 C ATOM 216 NZ LYS A 17 -2.054 1.991 7.145 1.00 0.00 N ATOM 0 H LYS A 17 -7.263 0.547 5.530 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.795 -1.345 3.970 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.328 -0.304 6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.145 -1.122 5.792 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.655 0.753 4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.337 1.223 4.466 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.154 2.698 6.166 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.506 1.473 7.238 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.617 2.451 5.155 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.099 3.649 6.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.174 2.545 7.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.476 2.011 8.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.844 1.007 6.880 1.00 0.00 H new ATOM 230 N LEU A 18 -7.481 -2.404 6.555 1.00 0.00 N ATOM 231 CA LEU A 18 -7.927 -3.596 7.266 1.00 0.00 C ATOM 232 C LEU A 18 -8.443 -4.651 6.291 1.00 0.00 C ATOM 233 O LEU A 18 -8.148 -5.838 6.434 1.00 0.00 O ATOM 234 CB LEU A 18 -9.023 -3.236 8.271 1.00 0.00 C ATOM 235 CG LEU A 18 -8.520 -2.781 9.642 1.00 0.00 C ATOM 236 CD1 LEU A 18 -9.654 -2.176 10.454 1.00 0.00 C ATOM 237 CD2 LEU A 18 -7.887 -3.946 10.389 1.00 0.00 C ATOM 0 H LEU A 18 -7.977 -1.550 6.810 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.073 -4.009 7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.639 -2.444 7.846 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.669 -4.103 8.407 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.760 -2.014 9.494 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.276 -1.858 11.426 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.062 -1.315 9.924 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.438 -2.920 10.595 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.534 -3.605 11.362 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.627 -4.735 10.527 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.046 -4.333 9.814 1.00 0.00 H new ATOM 249 N GLN A 19 -9.214 -4.210 5.303 1.00 0.00 N ATOM 250 CA GLN A 19 -9.770 -5.116 4.306 1.00 0.00 C ATOM 251 C GLN A 19 -8.666 -5.741 3.459 1.00 0.00 C ATOM 252 O GLN A 19 -8.774 -6.891 3.030 1.00 0.00 O ATOM 253 CB GLN A 19 -10.759 -4.373 3.406 1.00 0.00 C ATOM 254 CG GLN A 19 -11.917 -3.745 4.165 1.00 0.00 C ATOM 255 CD GLN A 19 -12.747 -2.819 3.300 1.00 0.00 C ATOM 256 OE1 GLN A 19 -13.107 -3.159 2.172 1.00 0.00 O ATOM 257 NE2 GLN A 19 -13.056 -1.638 3.824 1.00 0.00 N ATOM 0 H GLN A 19 -9.468 -3.231 5.172 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.295 -5.914 4.832 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.227 -3.593 2.861 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.155 -5.067 2.664 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.556 -4.533 4.563 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.528 -3.188 5.018 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.737 -1.397 4.762 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.612 -0.972 3.288 1.00 0.00 H new ATOM 266 N LEU A 20 -7.605 -4.977 3.221 1.00 0.00 N ATOM 267 CA LEU A 20 -6.481 -5.458 2.424 1.00 0.00 C ATOM 268 C LEU A 20 -5.855 -6.698 3.053 1.00 0.00 C ATOM 269 O LEU A 20 -5.326 -7.562 2.352 1.00 0.00 O ATOM 270 CB LEU A 20 -5.425 -4.359 2.279 1.00 0.00 C ATOM 271 CG LEU A 20 -5.697 -3.341 1.170 1.00 0.00 C ATOM 272 CD1 LEU A 20 -5.101 -1.985 1.530 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.140 -3.838 -0.155 1.00 0.00 C ATOM 0 H LEU A 20 -7.499 -4.024 3.568 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.858 -5.726 1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.344 -3.827 3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.459 -4.827 2.092 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.776 -3.223 1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.305 -1.274 0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.548 -1.626 2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.024 -2.084 1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.342 -3.102 -0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.064 -3.985 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.615 -4.783 -0.418 1.00 0.00 H new ATOM 285 N TYR A 21 -5.920 -6.782 4.378 1.00 0.00 N ATOM 286 CA TYR A 21 -5.358 -7.917 5.101 1.00 0.00 C ATOM 287 C TYR A 21 -6.137 -9.194 4.801 1.00 0.00 C ATOM 288 O TYR A 21 -5.577 -10.290 4.805 1.00 0.00 O ATOM 289 CB TYR A 21 -5.363 -7.646 6.606 1.00 0.00 C ATOM 290 CG TYR A 21 -4.577 -6.416 7.003 1.00 0.00 C ATOM 291 CD1 TYR A 21 -3.319 -6.169 6.466 1.00 0.00 C ATOM 292 CD2 TYR A 21 -5.092 -5.503 7.914 1.00 0.00 C ATOM 293 CE1 TYR A 21 -2.597 -5.047 6.827 1.00 0.00 C ATOM 294 CE2 TYR A 21 -4.376 -4.378 8.280 1.00 0.00 C ATOM 295 CZ TYR A 21 -3.131 -4.155 7.734 1.00 0.00 C ATOM 296 OH TYR A 21 -2.414 -3.037 8.096 1.00 0.00 O ATOM 0 H TYR A 21 -6.356 -6.078 4.973 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.329 -8.053 4.767 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.393 -7.533 6.943 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.952 -8.512 7.124 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.899 -6.865 5.755 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.068 -5.674 8.344 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.620 -4.870 6.401 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.791 -3.678 8.990 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.931 -2.512 8.742 1.00 0.00 H new ATOM 306 N LYS A 22 -7.433 -9.045 4.543 1.00 0.00 N ATOM 307 CA LYS A 22 -8.288 -10.188 4.244 1.00 0.00 C ATOM 308 C LYS A 22 -8.040 -10.699 2.828 1.00 0.00 C ATOM 309 O LYS A 22 -8.027 -11.906 2.587 1.00 0.00 O ATOM 310 CB LYS A 22 -9.761 -9.807 4.410 1.00 0.00 C ATOM 311 CG LYS A 22 -10.304 -10.074 5.804 1.00 0.00 C ATOM 312 CD LYS A 22 -11.647 -9.392 6.021 1.00 0.00 C ATOM 313 CE LYS A 22 -11.510 -8.157 6.898 1.00 0.00 C ATOM 314 NZ LYS A 22 -12.513 -7.112 6.550 1.00 0.00 N ATOM 0 H LYS A 22 -7.913 -8.145 4.535 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.044 -10.985 4.946 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.883 -8.749 4.178 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.356 -10.363 3.685 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.412 -11.148 5.954 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.590 -9.719 6.547 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.073 -9.110 5.058 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.342 -10.093 6.484 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.629 -8.440 7.944 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.506 -7.746 6.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.385 -6.288 7.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.384 -6.823 5.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.472 -7.495 6.676 1.00 0.00 H new ATOM 328 N LEU A 23 -7.842 -9.773 1.896 1.00 0.00 N ATOM 329 CA LEU A 23 -7.595 -10.130 0.504 1.00 0.00 C ATOM 330 C LEU A 23 -6.247 -10.829 0.351 1.00 0.00 C ATOM 331 O LEU A 23 -6.171 -11.951 -0.149 1.00 0.00 O ATOM 332 CB LEU A 23 -7.637 -8.882 -0.380 1.00 0.00 C ATOM 333 CG LEU A 23 -8.981 -8.151 -0.404 1.00 0.00 C ATOM 334 CD1 LEU A 23 -8.790 -6.697 -0.802 1.00 0.00 C ATOM 335 CD2 LEU A 23 -9.946 -8.844 -1.355 1.00 0.00 C ATOM 0 H LEU A 23 -7.848 -8.770 2.079 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.379 -10.818 0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.869 -8.188 -0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.378 -9.168 -1.399 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.407 -8.178 0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.756 -6.193 -0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.134 -6.206 -0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.343 -6.647 -1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.897 -8.311 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.526 -8.847 -2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.107 -9.871 -1.026 1.00 0.00 H new ATOM 347 N LEU A 24 -5.185 -10.157 0.785 1.00 0.00 N ATOM 348 CA LEU A 24 -3.839 -10.714 0.696 1.00 0.00 C ATOM 349 C LEU A 24 -3.740 -12.033 1.458 1.00 0.00 C ATOM 350 O LEU A 24 -2.931 -12.896 1.121 1.00 0.00 O ATOM 351 CB LEU A 24 -2.815 -9.718 1.243 1.00 0.00 C ATOM 352 CG LEU A 24 -2.852 -8.331 0.598 1.00 0.00 C ATOM 353 CD1 LEU A 24 -1.949 -7.368 1.354 1.00 0.00 C ATOM 354 CD2 LEU A 24 -2.442 -8.412 -0.864 1.00 0.00 C ATOM 0 H LEU A 24 -5.230 -9.227 1.201 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.624 -10.907 -0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.975 -9.608 2.315 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.817 -10.137 1.111 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.874 -7.955 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.987 -6.386 0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.287 -7.287 2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.924 -7.740 1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.474 -7.416 -1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.429 -8.809 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.128 -9.069 -1.398 1.00 0.00 H new ATOM 366 N GLU A 25 -4.566 -12.181 2.490 1.00 0.00 N ATOM 367 CA GLU A 25 -4.570 -13.394 3.300 1.00 0.00 C ATOM 368 C GLU A 25 -4.831 -14.629 2.441 1.00 0.00 C ATOM 369 O GLU A 25 -4.431 -15.738 2.795 1.00 0.00 O ATOM 370 CB GLU A 25 -5.627 -13.291 4.404 1.00 0.00 C ATOM 371 CG GLU A 25 -5.040 -13.058 5.786 1.00 0.00 C ATOM 372 CD GLU A 25 -6.062 -13.234 6.890 1.00 0.00 C ATOM 373 OE1 GLU A 25 -7.074 -13.930 6.658 1.00 0.00 O ATOM 374 OE2 GLU A 25 -5.852 -12.677 7.989 1.00 0.00 O ATOM 0 H GLU A 25 -5.241 -11.475 2.785 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.585 -13.497 3.756 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.311 -12.476 4.166 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.216 -14.208 4.418 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.214 -13.750 5.947 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.626 -12.051 5.836 1.00 0.00 H new ATOM 381 N ILE A 26 -5.502 -14.431 1.311 1.00 0.00 N ATOM 382 CA ILE A 26 -5.812 -15.530 0.405 1.00 0.00 C ATOM 383 C ILE A 26 -4.533 -16.199 -0.101 1.00 0.00 C ATOM 384 O ILE A 26 -3.755 -15.587 -0.832 1.00 0.00 O ATOM 385 CB ILE A 26 -6.641 -15.046 -0.803 1.00 0.00 C ATOM 386 CG1 ILE A 26 -7.899 -14.315 -0.328 1.00 0.00 C ATOM 387 CG2 ILE A 26 -7.013 -16.219 -1.700 1.00 0.00 C ATOM 388 CD1 ILE A 26 -8.650 -13.618 -1.442 1.00 0.00 C ATOM 0 H ILE A 26 -5.841 -13.520 1.001 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.399 -16.254 0.970 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.034 -14.350 -1.382 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.564 -15.030 0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.619 -13.580 0.426 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.597 -15.859 -2.547 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.106 -16.701 -2.064 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.603 -16.939 -1.132 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.530 -13.121 -1.033 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.001 -12.878 -1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.961 -14.352 -2.186 1.00 0.00 H new ATOM 400 N PRO A 27 -4.295 -17.468 0.281 1.00 0.00 N ATOM 401 CA PRO A 27 -3.101 -18.207 -0.142 1.00 0.00 C ATOM 402 C PRO A 27 -3.148 -18.586 -1.619 1.00 0.00 C ATOM 403 O PRO A 27 -3.151 -19.767 -1.968 1.00 0.00 O ATOM 404 CB PRO A 27 -3.130 -19.460 0.735 1.00 0.00 C ATOM 405 CG PRO A 27 -4.569 -19.658 1.062 1.00 0.00 C ATOM 406 CD PRO A 27 -5.166 -18.280 1.154 1.00 0.00 C ATOM 0 HA PRO A 27 -2.193 -17.615 -0.030 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.721 -20.322 0.208 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.533 -19.326 1.637 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.066 -20.248 0.292 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.685 -20.197 2.002 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.201 -18.267 0.812 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.164 -17.909 2.179 1.00 0.00 H new ATOM 414 N ASP A 28 -3.184 -17.577 -2.483 1.00 0.00 N ATOM 415 CA ASP A 28 -3.230 -17.805 -3.923 1.00 0.00 C ATOM 416 C ASP A 28 -1.901 -17.429 -4.576 1.00 0.00 C ATOM 417 O ASP A 28 -1.106 -16.686 -4.000 1.00 0.00 O ATOM 418 CB ASP A 28 -4.368 -16.999 -4.552 1.00 0.00 C ATOM 419 CG ASP A 28 -5.642 -17.810 -4.690 1.00 0.00 C ATOM 420 OD1 ASP A 28 -5.546 -19.043 -4.868 1.00 0.00 O ATOM 421 OD2 ASP A 28 -6.736 -17.212 -4.619 1.00 0.00 O ATOM 0 H ASP A 28 -3.182 -16.594 -2.211 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.410 -18.867 -4.093 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.566 -16.117 -3.942 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.058 -16.644 -5.535 1.00 0.00 H new ATOM 426 N PRO A 29 -1.644 -17.938 -5.793 1.00 0.00 N ATOM 427 CA PRO A 29 -0.404 -17.650 -6.522 1.00 0.00 C ATOM 428 C PRO A 29 -0.334 -16.204 -6.999 1.00 0.00 C ATOM 429 O PRO A 29 0.747 -15.626 -7.106 1.00 0.00 O ATOM 430 CB PRO A 29 -0.464 -18.606 -7.717 1.00 0.00 C ATOM 431 CG PRO A 29 -1.917 -18.866 -7.920 1.00 0.00 C ATOM 432 CD PRO A 29 -2.539 -18.831 -6.552 1.00 0.00 C ATOM 0 HA PRO A 29 0.478 -17.785 -5.895 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.014 -18.160 -8.604 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.079 -19.529 -7.514 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.361 -18.112 -8.570 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.078 -19.833 -8.397 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.558 -18.446 -6.584 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.587 -19.825 -6.107 1.00 0.00 H new ATOM 440 N ASP A 30 -1.496 -15.624 -7.283 1.00 0.00 N ATOM 441 CA ASP A 30 -1.568 -14.243 -7.749 1.00 0.00 C ATOM 442 C ASP A 30 -2.554 -13.437 -6.910 1.00 0.00 C ATOM 443 O ASP A 30 -3.196 -12.512 -7.407 1.00 0.00 O ATOM 444 CB ASP A 30 -1.979 -14.200 -9.221 1.00 0.00 C ATOM 445 CG ASP A 30 -0.786 -14.232 -10.157 1.00 0.00 C ATOM 446 OD1 ASP A 30 0.269 -14.765 -9.756 1.00 0.00 O ATOM 447 OD2 ASP A 30 -0.908 -13.724 -11.291 1.00 0.00 O ATOM 0 H ASP A 30 -2.400 -16.088 -7.199 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.579 -13.798 -7.642 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.630 -15.047 -9.438 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.559 -13.296 -9.407 1.00 0.00 H new ATOM 452 N LYS A 31 -2.668 -13.794 -5.635 1.00 0.00 N ATOM 453 CA LYS A 31 -3.575 -13.103 -4.727 1.00 0.00 C ATOM 454 C LYS A 31 -3.150 -13.302 -3.275 1.00 0.00 C ATOM 455 O LYS A 31 -3.984 -13.317 -2.370 1.00 0.00 O ATOM 456 CB LYS A 31 -5.007 -13.606 -4.925 1.00 0.00 C ATOM 457 CG LYS A 31 -5.809 -12.784 -5.921 1.00 0.00 C ATOM 458 CD LYS A 31 -7.249 -13.260 -6.003 1.00 0.00 C ATOM 459 CE LYS A 31 -7.887 -12.883 -7.331 1.00 0.00 C ATOM 460 NZ LYS A 31 -9.222 -13.519 -7.507 1.00 0.00 N ATOM 0 H LYS A 31 -2.144 -14.557 -5.208 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.535 -12.038 -4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.976 -14.642 -5.263 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.521 -13.600 -3.964 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.788 -11.734 -5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.346 -12.850 -6.906 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.283 -14.342 -5.876 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.824 -12.825 -5.186 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.991 -11.800 -7.389 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.231 -13.185 -8.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.623 -13.237 -8.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.120 -14.554 -7.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.857 -13.211 -6.743 1.00 0.00 H new ATOM 474 N ASN A 32 -1.848 -13.452 -3.060 1.00 0.00 N ATOM 475 CA ASN A 32 -1.313 -13.649 -1.718 1.00 0.00 C ATOM 476 C ASN A 32 -0.420 -12.479 -1.313 1.00 0.00 C ATOM 477 O ASN A 32 0.079 -11.744 -2.164 1.00 0.00 O ATOM 478 CB ASN A 32 -0.524 -14.957 -1.647 1.00 0.00 C ATOM 479 CG ASN A 32 -0.009 -15.248 -0.250 1.00 0.00 C ATOM 480 OD1 ASN A 32 1.197 -15.367 -0.033 1.00 0.00 O ATOM 481 ND2 ASN A 32 -0.923 -15.362 0.705 1.00 0.00 N ATOM 0 H ASN A 32 -1.144 -13.441 -3.798 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.151 -13.702 -1.023 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.159 -15.779 -1.975 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.317 -14.908 -2.338 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.637 -15.556 1.665 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.912 -15.256 0.480 1.00 0.00 H new ATOM 488 N TRP A 33 -0.225 -12.315 -0.009 1.00 0.00 N ATOM 489 CA TRP A 33 0.607 -11.236 0.508 1.00 0.00 C ATOM 490 C TRP A 33 2.040 -11.363 0.001 1.00 0.00 C ATOM 491 O TRP A 33 2.720 -10.363 -0.227 1.00 0.00 O ATOM 492 CB TRP A 33 0.593 -11.241 2.038 1.00 0.00 C ATOM 493 CG TRP A 33 0.840 -12.596 2.629 1.00 0.00 C ATOM 494 CD1 TRP A 33 -0.102 -13.496 3.038 1.00 0.00 C ATOM 495 CD2 TRP A 33 2.112 -13.204 2.879 1.00 0.00 C ATOM 496 NE1 TRP A 33 0.506 -14.627 3.526 1.00 0.00 N ATOM 497 CE2 TRP A 33 1.866 -14.472 3.439 1.00 0.00 C ATOM 498 CE3 TRP A 33 3.435 -12.800 2.682 1.00 0.00 C ATOM 499 CZ2 TRP A 33 2.894 -15.337 3.804 1.00 0.00 C ATOM 500 CZ3 TRP A 33 4.455 -13.660 3.046 1.00 0.00 C ATOM 501 CH2 TRP A 33 4.180 -14.916 3.601 1.00 0.00 C ATOM 0 H TRP A 33 -0.632 -12.915 0.708 1.00 0.00 H new ATOM 0 HA TRP A 33 0.197 -10.292 0.151 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.352 -10.549 2.404 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.371 -10.870 2.387 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -1.170 -13.341 2.985 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.025 -15.448 3.893 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.657 -11.834 2.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.684 -16.306 4.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 5.481 -13.358 2.900 1.00 0.00 H new ATOM 0 HH2 TRP A 33 4.999 -15.565 3.874 1.00 0.00 H new ATOM 512 N ALA A 34 2.493 -12.601 -0.172 1.00 0.00 N ATOM 513 CA ALA A 34 3.845 -12.861 -0.652 1.00 0.00 C ATOM 514 C ALA A 34 4.059 -12.268 -2.042 1.00 0.00 C ATOM 515 O ALA A 34 5.059 -11.597 -2.292 1.00 0.00 O ATOM 516 CB ALA A 34 4.121 -14.357 -0.667 1.00 0.00 C ATOM 0 H ALA A 34 1.943 -13.440 0.013 1.00 0.00 H new ATOM 0 HA ALA A 34 4.545 -12.380 0.031 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.134 -14.537 -1.028 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.019 -14.756 0.342 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.408 -14.852 -1.327 1.00 0.00 H new ATOM 522 N THR A 35 3.114 -12.523 -2.940 1.00 0.00 N ATOM 523 CA THR A 35 3.199 -12.015 -4.305 1.00 0.00 C ATOM 524 C THR A 35 3.225 -10.492 -4.318 1.00 0.00 C ATOM 525 O THR A 35 3.965 -9.879 -5.088 1.00 0.00 O ATOM 526 CB THR A 35 2.021 -12.525 -5.136 1.00 0.00 C ATOM 527 OG1 THR A 35 1.775 -13.895 -4.870 1.00 0.00 O ATOM 528 CG2 THR A 35 2.232 -12.377 -6.627 1.00 0.00 C ATOM 0 H THR A 35 2.280 -13.078 -2.748 1.00 0.00 H new ATOM 0 HA THR A 35 4.128 -12.379 -4.744 1.00 0.00 H new ATOM 0 HB THR A 35 1.172 -11.908 -4.843 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.460 -14.335 -5.687 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.359 -12.758 -7.158 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.375 -11.324 -6.872 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.114 -12.942 -6.927 1.00 0.00 H new ATOM 536 N LEU A 36 2.411 -9.883 -3.461 1.00 0.00 N ATOM 537 CA LEU A 36 2.339 -8.429 -3.374 1.00 0.00 C ATOM 538 C LEU A 36 3.620 -7.855 -2.777 1.00 0.00 C ATOM 539 O LEU A 36 4.011 -6.730 -3.088 1.00 0.00 O ATOM 540 CB LEU A 36 1.134 -8.007 -2.530 1.00 0.00 C ATOM 541 CG LEU A 36 0.826 -6.509 -2.544 1.00 0.00 C ATOM 542 CD1 LEU A 36 0.270 -6.093 -3.896 1.00 0.00 C ATOM 543 CD2 LEU A 36 -0.149 -6.157 -1.432 1.00 0.00 C ATOM 0 H LEU A 36 1.792 -10.375 -2.817 1.00 0.00 H new ATOM 0 HA LEU A 36 2.223 -8.035 -4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.255 -8.546 -2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.305 -8.318 -1.499 1.00 0.00 H new ATOM 0 HG LEU A 36 1.754 -5.963 -2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.056 -5.024 -3.888 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.002 -6.311 -4.673 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.648 -6.645 -4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.358 -5.087 -1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.077 -6.711 -1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.288 -6.420 -0.469 1.00 0.00 H new ATOM 555 N ALA A 37 4.269 -8.635 -1.918 1.00 0.00 N ATOM 556 CA ALA A 37 5.506 -8.203 -1.277 1.00 0.00 C ATOM 557 C ALA A 37 6.570 -7.855 -2.313 1.00 0.00 C ATOM 558 O ALA A 37 7.273 -6.853 -2.182 1.00 0.00 O ATOM 559 CB ALA A 37 6.018 -9.285 -0.337 1.00 0.00 C ATOM 0 H ALA A 37 3.959 -9.569 -1.650 1.00 0.00 H new ATOM 0 HA ALA A 37 5.291 -7.304 -0.699 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.942 -8.950 0.135 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.270 -9.484 0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.210 -10.197 -0.902 1.00 0.00 H new ATOM 565 N GLN A 38 6.683 -8.689 -3.340 1.00 0.00 N ATOM 566 CA GLN A 38 7.663 -8.469 -4.399 1.00 0.00 C ATOM 567 C GLN A 38 7.326 -7.213 -5.197 1.00 0.00 C ATOM 568 O GLN A 38 8.215 -6.453 -5.579 1.00 0.00 O ATOM 569 CB GLN A 38 7.719 -9.682 -5.330 1.00 0.00 C ATOM 570 CG GLN A 38 8.621 -10.795 -4.823 1.00 0.00 C ATOM 571 CD GLN A 38 8.168 -12.166 -5.283 1.00 0.00 C ATOM 572 OE1 GLN A 38 7.807 -12.357 -6.444 1.00 0.00 O ATOM 573 NE2 GLN A 38 8.181 -13.131 -4.370 1.00 0.00 N ATOM 0 H GLN A 38 6.109 -9.523 -3.463 1.00 0.00 H new ATOM 0 HA GLN A 38 8.640 -8.332 -3.936 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.711 -10.075 -5.463 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.068 -9.361 -6.311 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.640 -10.618 -5.168 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.645 -10.771 -3.734 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.488 -12.929 -3.419 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.884 -14.074 -4.621 1.00 0.00 H new ATOM 582 N LYS A 39 6.038 -7.004 -5.446 1.00 0.00 N ATOM 583 CA LYS A 39 5.584 -5.841 -6.199 1.00 0.00 C ATOM 584 C LYS A 39 5.800 -4.560 -5.401 1.00 0.00 C ATOM 585 O LYS A 39 6.248 -3.548 -5.942 1.00 0.00 O ATOM 586 CB LYS A 39 4.105 -5.988 -6.563 1.00 0.00 C ATOM 587 CG LYS A 39 3.874 -6.590 -7.939 1.00 0.00 C ATOM 588 CD LYS A 39 4.146 -8.086 -7.945 1.00 0.00 C ATOM 589 CE LYS A 39 4.417 -8.598 -9.351 1.00 0.00 C ATOM 590 NZ LYS A 39 5.589 -9.517 -9.390 1.00 0.00 N ATOM 0 H LYS A 39 5.290 -7.625 -5.137 1.00 0.00 H new ATOM 0 HA LYS A 39 6.171 -5.780 -7.116 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.616 -6.613 -5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.630 -5.008 -6.520 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.846 -6.405 -8.251 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.521 -6.098 -8.666 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.002 -8.304 -7.306 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.291 -8.614 -7.523 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.535 -9.118 -9.724 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.595 -7.754 -10.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.741 -9.844 -10.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.436 -9.014 -9.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.409 -10.336 -8.774 1.00 0.00 H new ATOM 604 N LEU A 40 5.479 -4.609 -4.112 1.00 0.00 N ATOM 605 CA LEU A 40 5.638 -3.451 -3.240 1.00 0.00 C ATOM 606 C LEU A 40 7.114 -3.136 -3.021 1.00 0.00 C ATOM 607 O LEU A 40 7.500 -1.972 -2.907 1.00 0.00 O ATOM 608 CB LEU A 40 4.953 -3.702 -1.896 1.00 0.00 C ATOM 609 CG LEU A 40 3.427 -3.787 -1.953 1.00 0.00 C ATOM 610 CD1 LEU A 40 2.868 -4.251 -0.618 1.00 0.00 C ATOM 611 CD2 LEU A 40 2.833 -2.443 -2.343 1.00 0.00 C ATOM 0 H LEU A 40 5.107 -5.438 -3.648 1.00 0.00 H new ATOM 0 HA LEU A 40 5.170 -2.594 -3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.338 -4.632 -1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.232 -2.903 -1.209 1.00 0.00 H new ATOM 0 HG LEU A 40 3.151 -4.518 -2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.781 -4.305 -0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.268 -5.236 -0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.154 -3.544 0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.746 -2.522 -2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.118 -1.692 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.208 -2.150 -3.324 1.00 0.00 H new ATOM 623 N GLY A 41 7.935 -4.179 -2.962 1.00 0.00 N ATOM 624 CA GLY A 41 9.360 -3.991 -2.757 1.00 0.00 C ATOM 625 C GLY A 41 9.817 -4.475 -1.395 1.00 0.00 C ATOM 626 O GLY A 41 10.761 -3.930 -0.820 1.00 0.00 O ATOM 0 H GLY A 41 7.640 -5.151 -3.052 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.909 -4.525 -3.532 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.603 -2.934 -2.864 1.00 0.00 H new ATOM 630 N LEU A 42 9.150 -5.501 -0.877 1.00 0.00 N ATOM 631 CA LEU A 42 9.494 -6.058 0.426 1.00 0.00 C ATOM 632 C LEU A 42 9.710 -7.564 0.334 1.00 0.00 C ATOM 633 O LEU A 42 9.457 -8.298 1.290 1.00 0.00 O ATOM 634 CB LEU A 42 8.392 -5.751 1.443 1.00 0.00 C ATOM 635 CG LEU A 42 7.967 -4.283 1.515 1.00 0.00 C ATOM 636 CD1 LEU A 42 6.756 -4.123 2.420 1.00 0.00 C ATOM 637 CD2 LEU A 42 9.119 -3.419 2.004 1.00 0.00 C ATOM 0 H LEU A 42 8.368 -5.964 -1.340 1.00 0.00 H new ATOM 0 HA LEU A 42 10.424 -5.595 0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.517 -6.355 1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.733 -6.064 2.430 1.00 0.00 H new ATOM 0 HG LEU A 42 7.692 -3.953 0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.468 -3.073 2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.928 -4.712 2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.003 -4.469 3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.799 -2.378 2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.425 -3.748 2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.960 -3.511 1.317 1.00 0.00 H new ATOM 649 N GLY A 43 10.182 -8.020 -0.821 1.00 0.00 N ATOM 650 CA GLY A 43 10.426 -9.438 -1.015 1.00 0.00 C ATOM 651 C GLY A 43 11.595 -9.943 -0.193 1.00 0.00 C ATOM 652 O GLY A 43 11.639 -11.115 0.179 1.00 0.00 O ATOM 0 H GLY A 43 10.400 -7.433 -1.627 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.530 -9.998 -0.748 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.619 -9.629 -2.071 1.00 0.00 H new ATOM 656 N ILE A 44 12.544 -9.057 0.090 1.00 0.00 N ATOM 657 CA ILE A 44 13.718 -9.419 0.873 1.00 0.00 C ATOM 658 C ILE A 44 13.334 -9.810 2.298 1.00 0.00 C ATOM 659 O ILE A 44 14.042 -10.575 2.953 1.00 0.00 O ATOM 660 CB ILE A 44 14.739 -8.262 0.921 1.00 0.00 C ATOM 661 CG1 ILE A 44 16.001 -8.693 1.674 1.00 0.00 C ATOM 662 CG2 ILE A 44 14.122 -7.030 1.566 1.00 0.00 C ATOM 663 CD1 ILE A 44 17.150 -7.718 1.534 1.00 0.00 C ATOM 0 H ILE A 44 12.522 -8.083 -0.212 1.00 0.00 H new ATOM 0 HA ILE A 44 14.176 -10.276 0.380 1.00 0.00 H new ATOM 0 HB ILE A 44 15.020 -8.007 -0.101 1.00 0.00 H new ATOM 0 HG12 ILE A 44 15.762 -8.811 2.731 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.317 -9.670 1.308 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.857 -6.225 1.591 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.255 -6.712 0.987 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.811 -7.269 2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 44 18.010 -8.087 2.093 1.00 0.00 H new ATOM 0 HD12 ILE A 44 17.416 -7.618 0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.852 -6.746 1.927 1.00 0.00 H new ATOM 675 N LEU A 45 12.209 -9.281 2.771 1.00 0.00 N ATOM 676 CA LEU A 45 11.734 -9.576 4.119 1.00 0.00 C ATOM 677 C LEU A 45 10.467 -10.423 4.075 1.00 0.00 C ATOM 678 O LEU A 45 9.568 -10.255 4.900 1.00 0.00 O ATOM 679 CB LEU A 45 11.470 -8.278 4.882 1.00 0.00 C ATOM 680 CG LEU A 45 12.635 -7.287 4.899 1.00 0.00 C ATOM 681 CD1 LEU A 45 12.122 -5.856 4.837 1.00 0.00 C ATOM 682 CD2 LEU A 45 13.490 -7.495 6.139 1.00 0.00 C ATOM 0 H LEU A 45 11.610 -8.647 2.242 1.00 0.00 H new ATOM 0 HA LEU A 45 12.508 -10.142 4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.602 -7.787 4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.209 -8.526 5.911 1.00 0.00 H new ATOM 0 HG LEU A 45 13.253 -7.467 4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.966 -5.166 4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.551 -5.714 3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.481 -5.662 5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 45 14.315 -6.782 6.136 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.881 -7.342 7.030 1.00 0.00 H new ATOM 0 HD23 LEU A 45 13.888 -8.510 6.141 1.00 0.00 H new ATOM 694 N ASN A 46 10.402 -11.333 3.109 1.00 0.00 N ATOM 695 CA ASN A 46 9.244 -12.207 2.959 1.00 0.00 C ATOM 696 C ASN A 46 9.243 -13.297 4.027 1.00 0.00 C ATOM 697 O ASN A 46 8.186 -13.748 4.467 1.00 0.00 O ATOM 698 CB ASN A 46 9.233 -12.840 1.565 1.00 0.00 C ATOM 699 CG ASN A 46 8.192 -12.216 0.656 1.00 0.00 C ATOM 700 OD1 ASN A 46 7.259 -11.560 1.120 1.00 0.00 O ATOM 701 ND2 ASN A 46 8.346 -12.420 -0.647 1.00 0.00 N ATOM 0 H ASN A 46 11.137 -11.485 2.418 1.00 0.00 H new ATOM 0 HA ASN A 46 8.345 -11.603 3.082 1.00 0.00 H new ATOM 0 HB2 ASN A 46 10.219 -12.732 1.112 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.039 -13.909 1.656 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.676 -12.026 -1.308 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.134 -12.970 -0.987 1.00 0.00 H new ATOM 708 N ASN A 47 10.435 -13.715 4.440 1.00 0.00 N ATOM 709 CA ASN A 47 10.572 -14.753 5.456 1.00 0.00 C ATOM 710 C ASN A 47 10.143 -14.236 6.825 1.00 0.00 C ATOM 711 O ASN A 47 9.656 -14.996 7.661 1.00 0.00 O ATOM 712 CB ASN A 47 12.018 -15.247 5.515 1.00 0.00 C ATOM 713 CG ASN A 47 13.008 -14.119 5.731 1.00 0.00 C ATOM 714 OD1 ASN A 47 12.971 -13.104 5.035 1.00 0.00 O ATOM 715 ND2 ASN A 47 13.901 -14.292 6.699 1.00 0.00 N ATOM 0 H ASN A 47 11.320 -13.351 4.087 1.00 0.00 H new ATOM 0 HA ASN A 47 9.921 -15.583 5.182 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.118 -15.973 6.322 1.00 0.00 H new ATOM 0 HB3 ASN A 47 12.260 -15.766 4.587 1.00 0.00 H new ATOM 0 HD21 ASN A 47 14.593 -13.567 6.890 1.00 0.00 H new ATOM 0 HD22 ASN A 47 13.895 -15.150 7.251 1.00 0.00 H new ATOM 722 N ALA A 48 10.329 -12.939 7.048 1.00 0.00 N ATOM 723 CA ALA A 48 9.963 -12.321 8.318 1.00 0.00 C ATOM 724 C ALA A 48 8.448 -12.194 8.450 1.00 0.00 C ATOM 725 O ALA A 48 7.906 -12.256 9.554 1.00 0.00 O ATOM 726 CB ALA A 48 10.622 -10.957 8.450 1.00 0.00 C ATOM 0 H ALA A 48 10.731 -12.296 6.366 1.00 0.00 H new ATOM 0 HA ALA A 48 10.319 -12.964 9.123 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.340 -10.507 9.402 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.705 -11.071 8.409 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.294 -10.314 7.634 1.00 0.00 H new ATOM 732 N PHE A 49 7.772 -12.015 7.320 1.00 0.00 N ATOM 733 CA PHE A 49 6.320 -11.879 7.313 1.00 0.00 C ATOM 734 C PHE A 49 5.645 -13.221 7.574 1.00 0.00 C ATOM 735 O PHE A 49 4.711 -13.313 8.371 1.00 0.00 O ATOM 736 CB PHE A 49 5.846 -11.309 5.974 1.00 0.00 C ATOM 737 CG PHE A 49 6.553 -10.045 5.572 1.00 0.00 C ATOM 738 CD1 PHE A 49 6.848 -9.068 6.511 1.00 0.00 C ATOM 739 CD2 PHE A 49 6.923 -9.834 4.253 1.00 0.00 C ATOM 740 CE1 PHE A 49 7.498 -7.906 6.141 1.00 0.00 C ATOM 741 CE2 PHE A 49 7.573 -8.672 3.878 1.00 0.00 C ATOM 742 CZ PHE A 49 7.861 -7.708 4.824 1.00 0.00 C ATOM 0 H PHE A 49 8.206 -11.961 6.398 1.00 0.00 H new ATOM 0 HA PHE A 49 6.042 -11.192 8.112 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.992 -12.060 5.197 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.775 -11.114 6.031 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.567 -9.217 7.543 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.701 -10.585 3.510 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.722 -7.153 6.882 1.00 0.00 H new ATOM 0 HE2 PHE A 49 7.855 -8.519 2.847 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.370 -6.800 4.534 1.00 0.00 H new ATOM 752 N ARG A 50 6.124 -14.261 6.898 1.00 0.00 N ATOM 753 CA ARG A 50 5.566 -15.599 7.057 1.00 0.00 C ATOM 754 C ARG A 50 5.685 -16.069 8.504 1.00 0.00 C ATOM 755 O ARG A 50 4.759 -16.670 9.049 1.00 0.00 O ATOM 756 CB ARG A 50 6.277 -16.584 6.128 1.00 0.00 C ATOM 757 CG ARG A 50 5.362 -17.663 5.573 1.00 0.00 C ATOM 758 CD ARG A 50 6.136 -18.685 4.757 1.00 0.00 C ATOM 759 NE ARG A 50 5.306 -19.823 4.372 1.00 0.00 N ATOM 760 CZ ARG A 50 5.737 -20.835 3.621 1.00 0.00 C ATOM 761 NH1 ARG A 50 6.985 -20.853 3.173 1.00 0.00 N ATOM 762 NH2 ARG A 50 4.916 -21.831 3.319 1.00 0.00 N ATOM 0 H ARG A 50 6.897 -14.203 6.235 1.00 0.00 H new ATOM 0 HA ARG A 50 4.509 -15.559 6.792 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.721 -16.033 5.299 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.096 -17.057 6.671 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.849 -18.164 6.394 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.594 -17.205 4.950 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.533 -18.207 3.861 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.990 -19.039 5.335 1.00 0.00 H new ATOM 0 HE ARG A 50 4.339 -19.844 4.697 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.621 -20.089 3.403 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.309 -21.631 2.598 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.955 -21.822 3.662 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.245 -22.607 2.744 1.00 0.00 H new ATOM 776 N LEU A 51 6.829 -15.791 9.118 1.00 0.00 N ATOM 777 CA LEU A 51 7.068 -16.185 10.502 1.00 0.00 C ATOM 778 C LEU A 51 6.062 -15.524 11.438 1.00 0.00 C ATOM 779 O LEU A 51 5.685 -16.094 12.462 1.00 0.00 O ATOM 780 CB LEU A 51 8.492 -15.813 10.921 1.00 0.00 C ATOM 781 CG LEU A 51 9.585 -16.749 10.402 1.00 0.00 C ATOM 782 CD1 LEU A 51 10.956 -16.273 10.855 1.00 0.00 C ATOM 783 CD2 LEU A 51 9.332 -18.174 10.870 1.00 0.00 C ATOM 0 H LEU A 51 7.605 -15.295 8.680 1.00 0.00 H new ATOM 0 HA LEU A 51 6.946 -17.266 10.572 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.705 -14.802 10.572 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.540 -15.791 12.010 1.00 0.00 H new ATOM 0 HG LEU A 51 9.561 -16.735 9.312 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.720 -16.952 10.476 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.138 -15.270 10.470 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.994 -16.256 11.944 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.119 -18.826 10.492 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.328 -18.204 11.960 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.367 -18.514 10.495 1.00 0.00 H new ATOM 795 N SER A 52 5.631 -14.319 11.079 1.00 0.00 N ATOM 796 CA SER A 52 4.667 -13.580 11.887 1.00 0.00 C ATOM 797 C SER A 52 3.278 -14.204 11.782 1.00 0.00 C ATOM 798 O SER A 52 2.996 -14.958 10.852 1.00 0.00 O ATOM 799 CB SER A 52 4.617 -12.117 11.445 1.00 0.00 C ATOM 800 OG SER A 52 5.610 -11.350 12.102 1.00 0.00 O ATOM 0 H SER A 52 5.934 -13.834 10.234 1.00 0.00 H new ATOM 0 HA SER A 52 4.989 -13.627 12.927 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.760 -12.055 10.366 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.632 -11.703 11.660 1.00 0.00 H new ATOM 0 HG SER A 52 5.557 -10.419 11.800 1.00 0.00 H new ATOM 806 N PRO A 53 2.387 -13.894 12.741 1.00 0.00 N ATOM 807 CA PRO A 53 1.021 -14.427 12.750 1.00 0.00 C ATOM 808 C PRO A 53 0.187 -13.896 11.589 1.00 0.00 C ATOM 809 O PRO A 53 -0.737 -14.560 11.119 1.00 0.00 O ATOM 810 CB PRO A 53 0.452 -13.940 14.085 1.00 0.00 C ATOM 811 CG PRO A 53 1.264 -12.738 14.429 1.00 0.00 C ATOM 812 CD PRO A 53 2.640 -13.001 13.886 1.00 0.00 C ATOM 0 HA PRO A 53 1.007 -15.511 12.640 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.606 -13.691 13.997 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.536 -14.708 14.854 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.836 -11.838 13.988 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.293 -12.582 15.507 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.133 -12.080 13.576 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.283 -13.472 14.630 1.00 0.00 H new ATOM 820 N ALA A 54 0.520 -12.693 11.130 1.00 0.00 N ATOM 821 CA ALA A 54 -0.196 -12.072 10.024 1.00 0.00 C ATOM 822 C ALA A 54 0.774 -11.426 9.036 1.00 0.00 C ATOM 823 O ALA A 54 1.047 -10.228 9.116 1.00 0.00 O ATOM 824 CB ALA A 54 -1.184 -11.040 10.547 1.00 0.00 C ATOM 0 H ALA A 54 1.282 -12.130 11.508 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.747 -12.851 9.497 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.712 -10.584 9.709 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.902 -11.526 11.207 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.647 -10.269 11.100 1.00 0.00 H new ATOM 830 N PRO A 55 1.309 -12.217 8.091 1.00 0.00 N ATOM 831 CA PRO A 55 2.253 -11.718 7.085 1.00 0.00 C ATOM 832 C PRO A 55 1.737 -10.475 6.370 1.00 0.00 C ATOM 833 O PRO A 55 2.463 -9.495 6.204 1.00 0.00 O ATOM 834 CB PRO A 55 2.376 -12.887 6.105 1.00 0.00 C ATOM 835 CG PRO A 55 2.057 -14.095 6.915 1.00 0.00 C ATOM 836 CD PRO A 55 1.035 -13.657 7.927 1.00 0.00 C ATOM 0 HA PRO A 55 3.201 -11.415 7.530 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.685 -12.777 5.269 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.379 -12.947 5.684 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.666 -14.894 6.286 1.00 0.00 H new ATOM 0 HG3 PRO A 55 2.950 -14.483 7.405 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.019 -13.835 7.574 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.145 -14.196 8.868 1.00 0.00 H new ATOM 844 N SER A 56 0.478 -10.520 5.948 1.00 0.00 N ATOM 845 CA SER A 56 -0.135 -9.396 5.250 1.00 0.00 C ATOM 846 C SER A 56 -0.142 -8.150 6.128 1.00 0.00 C ATOM 847 O SER A 56 -0.056 -7.027 5.631 1.00 0.00 O ATOM 848 CB SER A 56 -1.565 -9.746 4.829 1.00 0.00 C ATOM 849 OG SER A 56 -1.747 -11.150 4.764 1.00 0.00 O ATOM 0 H SER A 56 -0.138 -11.323 6.077 1.00 0.00 H new ATOM 0 HA SER A 56 0.457 -9.188 4.359 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.272 -9.317 5.539 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.780 -9.303 3.857 1.00 0.00 H new ATOM 0 HG SER A 56 -1.028 -11.549 4.230 1.00 0.00 H new ATOM 855 N LYS A 57 -0.245 -8.355 7.437 1.00 0.00 N ATOM 856 CA LYS A 57 -0.262 -7.247 8.386 1.00 0.00 C ATOM 857 C LYS A 57 1.136 -6.661 8.562 1.00 0.00 C ATOM 858 O LYS A 57 1.301 -5.446 8.666 1.00 0.00 O ATOM 859 CB LYS A 57 -0.806 -7.714 9.737 1.00 0.00 C ATOM 860 CG LYS A 57 -1.263 -6.575 10.635 1.00 0.00 C ATOM 861 CD LYS A 57 -2.075 -7.086 11.814 1.00 0.00 C ATOM 862 CE LYS A 57 -3.047 -6.032 12.320 1.00 0.00 C ATOM 863 NZ LYS A 57 -2.339 -4.841 12.865 1.00 0.00 N ATOM 0 H LYS A 57 -0.318 -9.278 7.865 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.915 -6.470 7.989 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.643 -8.391 9.568 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.034 -8.285 10.253 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.394 -6.027 11.000 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.863 -5.872 10.056 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.626 -7.979 11.518 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.403 -7.379 12.620 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.704 -5.723 11.507 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.680 -6.464 13.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.034 -4.168 13.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.693 -5.138 13.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.794 -4.384 12.106 1.00 0.00 H new ATOM 877 N THR A 58 2.137 -7.533 8.594 1.00 0.00 N ATOM 878 CA THR A 58 3.520 -7.104 8.757 1.00 0.00 C ATOM 879 C THR A 58 4.019 -6.387 7.506 1.00 0.00 C ATOM 880 O THR A 58 4.848 -5.481 7.586 1.00 0.00 O ATOM 881 CB THR A 58 4.417 -8.305 9.063 1.00 0.00 C ATOM 882 OG1 THR A 58 3.721 -9.266 9.836 1.00 0.00 O ATOM 883 CG2 THR A 58 5.676 -7.935 9.816 1.00 0.00 C ATOM 0 H THR A 58 2.016 -8.542 8.509 1.00 0.00 H new ATOM 0 HA THR A 58 3.561 -6.407 9.594 1.00 0.00 H new ATOM 0 HB THR A 58 4.700 -8.709 8.091 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.948 -10.166 9.521 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.267 -8.832 10.001 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.261 -7.231 9.224 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.409 -7.474 10.767 1.00 0.00 H new ATOM 891 N LEU A 59 3.508 -6.800 6.352 1.00 0.00 N ATOM 892 CA LEU A 59 3.901 -6.197 5.083 1.00 0.00 C ATOM 893 C LEU A 59 3.554 -4.712 5.055 1.00 0.00 C ATOM 894 O LEU A 59 4.321 -3.895 4.544 1.00 0.00 O ATOM 895 CB LEU A 59 3.214 -6.915 3.919 1.00 0.00 C ATOM 896 CG LEU A 59 3.816 -6.635 2.540 1.00 0.00 C ATOM 897 CD1 LEU A 59 5.237 -7.171 2.459 1.00 0.00 C ATOM 898 CD2 LEU A 59 2.951 -7.246 1.448 1.00 0.00 C ATOM 0 H LEU A 59 2.821 -7.549 6.268 1.00 0.00 H new ATOM 0 HA LEU A 59 4.981 -6.301 4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.249 -7.989 4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.163 -6.628 3.905 1.00 0.00 H new ATOM 0 HG LEU A 59 3.848 -5.556 2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.649 -6.963 1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.852 -6.687 3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.230 -8.248 2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.394 -7.037 0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.888 -8.324 1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.951 -6.815 1.492 1.00 0.00 H new ATOM 910 N MET A 60 2.395 -4.370 5.607 1.00 0.00 N ATOM 911 CA MET A 60 1.947 -2.983 5.645 1.00 0.00 C ATOM 912 C MET A 60 2.719 -2.190 6.696 1.00 0.00 C ATOM 913 O MET A 60 2.969 -0.996 6.527 1.00 0.00 O ATOM 914 CB MET A 60 0.448 -2.916 5.941 1.00 0.00 C ATOM 915 CG MET A 60 -0.423 -3.324 4.763 1.00 0.00 C ATOM 916 SD MET A 60 -0.306 -2.172 3.382 1.00 0.00 S ATOM 917 CE MET A 60 -1.552 -2.836 2.281 1.00 0.00 C ATOM 0 H MET A 60 1.749 -5.034 6.034 1.00 0.00 H new ATOM 0 HA MET A 60 2.138 -2.540 4.667 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.224 -3.563 6.789 1.00 0.00 H new ATOM 0 HB3 MET A 60 0.190 -1.900 6.239 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.130 -4.319 4.427 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.461 -3.390 5.089 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.816 -2.086 1.536 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.161 -3.722 1.781 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.439 -3.105 2.855 1.00 0.00 H new ATOM 927 N ASP A 61 3.096 -2.862 7.778 1.00 0.00 N ATOM 928 CA ASP A 61 3.842 -2.219 8.855 1.00 0.00 C ATOM 929 C ASP A 61 5.263 -1.887 8.409 1.00 0.00 C ATOM 930 O ASP A 61 5.851 -0.905 8.859 1.00 0.00 O ATOM 931 CB ASP A 61 3.878 -3.123 10.089 1.00 0.00 C ATOM 932 CG ASP A 61 2.837 -2.736 11.119 1.00 0.00 C ATOM 933 OD1 ASP A 61 1.634 -2.743 10.781 1.00 0.00 O ATOM 934 OD2 ASP A 61 3.223 -2.425 12.266 1.00 0.00 O ATOM 0 H ASP A 61 2.898 -3.850 7.933 1.00 0.00 H new ATOM 0 HA ASP A 61 3.335 -1.289 9.111 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.716 -4.157 9.784 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.868 -3.076 10.542 1.00 0.00 H new ATOM 939 N ASN A 62 5.806 -2.713 7.521 1.00 0.00 N ATOM 940 CA ASN A 62 7.157 -2.508 7.013 1.00 0.00 C ATOM 941 C ASN A 62 7.162 -1.488 5.879 1.00 0.00 C ATOM 942 O ASN A 62 8.129 -0.748 5.700 1.00 0.00 O ATOM 943 CB ASN A 62 7.748 -3.832 6.525 1.00 0.00 C ATOM 944 CG ASN A 62 8.424 -4.608 7.637 1.00 0.00 C ATOM 945 OD1 ASN A 62 9.597 -4.968 7.535 1.00 0.00 O ATOM 946 ND2 ASN A 62 7.686 -4.871 8.708 1.00 0.00 N ATOM 0 H ASN A 62 5.331 -3.531 7.138 1.00 0.00 H new ATOM 0 HA ASN A 62 7.770 -2.123 7.828 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.956 -4.442 6.090 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.470 -3.634 5.733 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.087 -5.391 9.489 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.718 -4.554 8.751 1.00 0.00 H new ATOM 953 N TYR A 63 6.072 -1.453 5.117 1.00 0.00 N ATOM 954 CA TYR A 63 5.950 -0.525 4.000 1.00 0.00 C ATOM 955 C TYR A 63 5.731 0.900 4.498 1.00 0.00 C ATOM 956 O TYR A 63 6.196 1.861 3.884 1.00 0.00 O ATOM 957 CB TYR A 63 4.793 -0.941 3.089 1.00 0.00 C ATOM 958 CG TYR A 63 4.983 -0.535 1.645 1.00 0.00 C ATOM 959 CD1 TYR A 63 6.112 -0.924 0.936 1.00 0.00 C ATOM 960 CD2 TYR A 63 4.031 0.238 0.990 1.00 0.00 C ATOM 961 CE1 TYR A 63 6.289 -0.555 -0.384 1.00 0.00 C ATOM 962 CE2 TYR A 63 4.200 0.611 -0.330 1.00 0.00 C ATOM 963 CZ TYR A 63 5.330 0.212 -1.012 1.00 0.00 C ATOM 964 OH TYR A 63 5.502 0.581 -2.326 1.00 0.00 O ATOM 0 H TYR A 63 5.262 -2.057 5.254 1.00 0.00 H new ATOM 0 HA TYR A 63 6.880 -0.554 3.433 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.672 -2.023 3.140 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.870 -0.499 3.463 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.865 -1.525 1.425 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.145 0.552 1.521 1.00 0.00 H new ATOM 0 HE1 TYR A 63 7.173 -0.865 -0.921 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.451 1.212 -0.825 1.00 0.00 H new ATOM 0 HH TYR A 63 6.113 -0.047 -2.765 1.00 0.00 H new ATOM 974 N GLU A 64 5.023 1.029 5.614 1.00 0.00 N ATOM 975 CA GLU A 64 4.743 2.337 6.195 1.00 0.00 C ATOM 976 C GLU A 64 6.012 2.962 6.767 1.00 0.00 C ATOM 977 O GLU A 64 6.290 4.140 6.546 1.00 0.00 O ATOM 978 CB GLU A 64 3.683 2.217 7.292 1.00 0.00 C ATOM 979 CG GLU A 64 2.992 3.530 7.618 1.00 0.00 C ATOM 980 CD GLU A 64 1.676 3.332 8.343 1.00 0.00 C ATOM 981 OE1 GLU A 64 0.655 3.093 7.665 1.00 0.00 O ATOM 982 OE2 GLU A 64 1.666 3.417 9.590 1.00 0.00 O ATOM 0 H GLU A 64 4.632 0.244 6.135 1.00 0.00 H new ATOM 0 HA GLU A 64 4.365 2.983 5.403 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.933 1.489 6.983 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.151 1.828 8.196 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.653 4.141 8.233 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.815 4.082 6.695 1.00 0.00 H new ATOM 989 N VAL A 65 6.780 2.162 7.500 1.00 0.00 N ATOM 990 CA VAL A 65 8.021 2.636 8.102 1.00 0.00 C ATOM 991 C VAL A 65 9.101 2.849 7.045 1.00 0.00 C ATOM 992 O VAL A 65 10.024 3.640 7.239 1.00 0.00 O ATOM 993 CB VAL A 65 8.544 1.647 9.163 1.00 0.00 C ATOM 994 CG1 VAL A 65 9.748 2.227 9.888 1.00 0.00 C ATOM 995 CG2 VAL A 65 7.442 1.289 10.149 1.00 0.00 C ATOM 0 H VAL A 65 6.565 1.183 7.691 1.00 0.00 H new ATOM 0 HA VAL A 65 7.795 3.588 8.582 1.00 0.00 H new ATOM 0 HB VAL A 65 8.859 0.734 8.657 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.102 1.514 10.633 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.543 2.427 9.170 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.463 3.156 10.382 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.830 0.590 10.890 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.094 2.193 10.649 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.612 0.827 9.615 1.00 0.00 H new ATOM 1005 N SER A 66 8.981 2.138 5.927 1.00 0.00 N ATOM 1006 CA SER A 66 9.948 2.252 4.842 1.00 0.00 C ATOM 1007 C SER A 66 9.443 3.200 3.758 1.00 0.00 C ATOM 1008 O SER A 66 9.707 2.999 2.573 1.00 0.00 O ATOM 1009 CB SER A 66 10.234 0.876 4.239 1.00 0.00 C ATOM 1010 OG SER A 66 11.317 0.932 3.327 1.00 0.00 O ATOM 0 H SER A 66 8.224 1.478 5.750 1.00 0.00 H new ATOM 0 HA SER A 66 10.871 2.660 5.254 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.462 0.167 5.035 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.344 0.507 3.729 1.00 0.00 H new ATOM 0 HG SER A 66 11.129 1.601 2.636 1.00 0.00 H new ATOM 1016 N GLY A 67 8.717 4.232 4.173 1.00 0.00 N ATOM 1017 CA GLY A 67 8.187 5.196 3.225 1.00 0.00 C ATOM 1018 C GLY A 67 7.274 4.558 2.197 1.00 0.00 C ATOM 1019 O GLY A 67 7.691 4.287 1.071 1.00 0.00 O ATOM 0 H GLY A 67 8.486 4.419 5.149 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.638 5.967 3.765 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.013 5.691 2.715 1.00 0.00 H new ATOM 1023 N GLY A 68 6.026 4.317 2.584 1.00 0.00 N ATOM 1024 CA GLY A 68 5.071 3.711 1.676 1.00 0.00 C ATOM 1025 C GLY A 68 4.151 4.732 1.036 1.00 0.00 C ATOM 1026 O GLY A 68 3.914 5.802 1.598 1.00 0.00 O ATOM 0 H GLY A 68 5.659 4.531 3.511 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.608 3.171 0.896 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.474 2.978 2.218 1.00 0.00 H new ATOM 1030 N THR A 69 3.631 4.403 -0.141 1.00 0.00 N ATOM 1031 CA THR A 69 2.731 5.300 -0.858 1.00 0.00 C ATOM 1032 C THR A 69 1.502 4.551 -1.362 1.00 0.00 C ATOM 1033 O THR A 69 1.391 3.336 -1.196 1.00 0.00 O ATOM 1034 CB THR A 69 3.460 5.956 -2.031 1.00 0.00 C ATOM 1035 OG1 THR A 69 4.257 5.008 -2.719 1.00 0.00 O ATOM 1036 CG2 THR A 69 4.361 7.098 -1.614 1.00 0.00 C ATOM 0 H THR A 69 3.817 3.522 -0.619 1.00 0.00 H new ATOM 0 HA THR A 69 2.402 6.074 -0.165 1.00 0.00 H new ATOM 0 HB THR A 69 2.674 6.352 -2.674 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.714 5.446 -3.467 1.00 0.00 H new ATOM 0 HG21 THR A 69 4.847 7.518 -2.495 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.767 7.870 -1.124 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.119 6.730 -0.922 1.00 0.00 H new ATOM 1044 N VAL A 70 0.582 5.284 -1.980 1.00 0.00 N ATOM 1045 CA VAL A 70 -0.640 4.690 -2.508 1.00 0.00 C ATOM 1046 C VAL A 70 -0.500 4.378 -3.995 1.00 0.00 C ATOM 1047 O VAL A 70 -1.066 3.405 -4.491 1.00 0.00 O ATOM 1048 CB VAL A 70 -1.852 5.618 -2.302 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -3.141 4.904 -2.676 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -1.905 6.114 -0.865 1.00 0.00 C ATOM 0 H VAL A 70 0.660 6.290 -2.127 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.805 3.764 -1.958 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.741 6.482 -2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.986 5.575 -2.524 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.100 4.604 -3.723 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.262 4.020 -2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.767 6.768 -0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.992 5.263 -0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.994 6.667 -0.637 1.00 0.00 H new ATOM 1060 N ARG A 71 0.256 5.213 -4.701 1.00 0.00 N ATOM 1061 CA ARG A 71 0.470 5.027 -6.131 1.00 0.00 C ATOM 1062 C ARG A 71 1.112 3.672 -6.414 1.00 0.00 C ATOM 1063 O ARG A 71 0.853 3.054 -7.446 1.00 0.00 O ATOM 1064 CB ARG A 71 1.349 6.151 -6.688 1.00 0.00 C ATOM 1065 CG ARG A 71 0.580 7.173 -7.509 1.00 0.00 C ATOM 1066 CD ARG A 71 1.212 8.552 -7.414 1.00 0.00 C ATOM 1067 NE ARG A 71 0.422 9.564 -8.112 1.00 0.00 N ATOM 1068 CZ ARG A 71 0.799 10.834 -8.249 1.00 0.00 C ATOM 1069 NH1 ARG A 71 1.952 11.250 -7.739 1.00 0.00 N ATOM 1070 NH2 ARG A 71 0.022 11.690 -8.899 1.00 0.00 N ATOM 0 H ARG A 71 0.730 6.025 -4.306 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.501 5.057 -6.625 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.843 6.659 -5.860 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.133 5.715 -7.307 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.550 6.856 -8.551 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.452 7.219 -7.161 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.316 8.832 -6.366 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.216 8.521 -7.836 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.470 9.281 -8.518 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.554 10.596 -7.239 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.236 12.224 -7.847 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.864 11.376 -9.294 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.311 12.663 -9.004 1.00 0.00 H new ATOM 1084 N GLU A 72 1.952 3.216 -5.489 1.00 0.00 N ATOM 1085 CA GLU A 72 2.630 1.935 -5.639 1.00 0.00 C ATOM 1086 C GLU A 72 1.714 0.784 -5.232 1.00 0.00 C ATOM 1087 O GLU A 72 1.776 -0.304 -5.803 1.00 0.00 O ATOM 1088 CB GLU A 72 3.907 1.908 -4.797 1.00 0.00 C ATOM 1089 CG GLU A 72 5.065 2.667 -5.425 1.00 0.00 C ATOM 1090 CD GLU A 72 6.363 1.882 -5.391 1.00 0.00 C ATOM 1091 OE1 GLU A 72 6.501 0.928 -6.185 1.00 0.00 O ATOM 1092 OE2 GLU A 72 7.241 2.223 -4.571 1.00 0.00 O ATOM 0 H GLU A 72 2.178 3.715 -4.629 1.00 0.00 H new ATOM 0 HA GLU A 72 2.893 1.812 -6.690 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.695 2.333 -3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.206 0.872 -4.638 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.818 2.909 -6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.202 3.612 -4.900 1.00 0.00 H new ATOM 1099 N LEU A 73 0.865 1.034 -4.241 1.00 0.00 N ATOM 1100 CA LEU A 73 -0.064 0.020 -3.758 1.00 0.00 C ATOM 1101 C LEU A 73 -1.135 -0.280 -4.802 1.00 0.00 C ATOM 1102 O LEU A 73 -1.484 -1.437 -5.033 1.00 0.00 O ATOM 1103 CB LEU A 73 -0.722 0.481 -2.455 1.00 0.00 C ATOM 1104 CG LEU A 73 -1.322 -0.638 -1.602 1.00 0.00 C ATOM 1105 CD1 LEU A 73 -0.226 -1.540 -1.057 1.00 0.00 C ATOM 1106 CD2 LEU A 73 -2.150 -0.056 -0.467 1.00 0.00 C ATOM 0 H LEU A 73 0.801 1.930 -3.757 1.00 0.00 H new ATOM 0 HA LEU A 73 0.501 -0.893 -3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.020 1.013 -1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.509 1.195 -2.696 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.977 -1.239 -2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.672 -2.330 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.325 -1.984 -1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.456 -0.953 -0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.569 -0.866 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.516 0.568 0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.959 0.548 -0.879 1.00 0.00 H new ATOM 1118 N VAL A 74 -1.651 0.771 -5.433 1.00 0.00 N ATOM 1119 CA VAL A 74 -2.680 0.619 -6.453 1.00 0.00 C ATOM 1120 C VAL A 74 -2.125 -0.072 -7.694 1.00 0.00 C ATOM 1121 O VAL A 74 -2.821 -0.848 -8.348 1.00 0.00 O ATOM 1122 CB VAL A 74 -3.274 1.981 -6.859 1.00 0.00 C ATOM 1123 CG1 VAL A 74 -4.465 1.790 -7.786 1.00 0.00 C ATOM 1124 CG2 VAL A 74 -3.668 2.783 -5.626 1.00 0.00 C ATOM 0 H VAL A 74 -1.373 1.736 -5.255 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.468 0.003 -6.019 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.511 2.543 -7.398 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.871 2.763 -8.062 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.146 1.262 -8.685 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.233 1.208 -7.277 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.085 3.742 -5.934 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.413 2.229 -5.055 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.788 2.953 -5.006 1.00 0.00 H new ATOM 1134 N GLU A 75 -0.866 0.214 -8.011 1.00 0.00 N ATOM 1135 CA GLU A 75 -0.217 -0.381 -9.174 1.00 0.00 C ATOM 1136 C GLU A 75 0.180 -1.826 -8.892 1.00 0.00 C ATOM 1137 O GLU A 75 -0.010 -2.708 -9.731 1.00 0.00 O ATOM 1138 CB GLU A 75 1.016 0.435 -9.568 1.00 0.00 C ATOM 1139 CG GLU A 75 0.768 1.393 -10.723 1.00 0.00 C ATOM 1140 CD GLU A 75 1.828 1.292 -11.803 1.00 0.00 C ATOM 1141 OE1 GLU A 75 2.937 1.828 -11.598 1.00 0.00 O ATOM 1142 OE2 GLU A 75 1.548 0.677 -12.854 1.00 0.00 O ATOM 0 H GLU A 75 -0.275 0.853 -7.479 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.926 -0.374 -10.002 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.357 1.003 -8.703 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.822 -0.247 -9.839 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.210 1.186 -11.158 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.738 2.414 -10.343 1.00 0.00 H new ATOM 1149 N ALA A 76 0.734 -2.063 -7.707 1.00 0.00 N ATOM 1150 CA ALA A 76 1.158 -3.402 -7.316 1.00 0.00 C ATOM 1151 C ALA A 76 -0.016 -4.373 -7.325 1.00 0.00 C ATOM 1152 O ALA A 76 0.140 -5.548 -7.658 1.00 0.00 O ATOM 1153 CB ALA A 76 1.809 -3.367 -5.941 1.00 0.00 C ATOM 0 H ALA A 76 0.900 -1.345 -7.001 1.00 0.00 H new ATOM 0 HA ALA A 76 1.890 -3.753 -8.043 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.121 -4.373 -5.661 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.679 -2.711 -5.967 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.094 -2.992 -5.209 1.00 0.00 H new ATOM 1159 N LEU A 77 -1.191 -3.876 -6.955 1.00 0.00 N ATOM 1160 CA LEU A 77 -2.393 -4.700 -6.920 1.00 0.00 C ATOM 1161 C LEU A 77 -2.924 -4.949 -8.328 1.00 0.00 C ATOM 1162 O LEU A 77 -3.508 -5.997 -8.606 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.473 -4.030 -6.067 1.00 0.00 C ATOM 1164 CG LEU A 77 -3.177 -3.983 -4.567 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -4.122 -3.021 -3.866 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -3.283 -5.375 -3.961 1.00 0.00 C ATOM 0 H LEU A 77 -1.337 -2.906 -6.675 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.131 -5.660 -6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.617 -3.011 -6.425 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.414 -4.558 -6.220 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.158 -3.623 -4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.896 -3.001 -2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.998 -2.021 -4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.151 -3.350 -4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.070 -5.324 -2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.291 -5.762 -4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.564 -6.038 -4.444 1.00 0.00 H new ATOM 1178 N ARG A 78 -2.718 -3.980 -9.213 1.00 0.00 N ATOM 1179 CA ARG A 78 -3.174 -4.093 -10.593 1.00 0.00 C ATOM 1180 C ARG A 78 -2.299 -5.066 -11.378 1.00 0.00 C ATOM 1181 O ARG A 78 -2.785 -5.799 -12.238 1.00 0.00 O ATOM 1182 CB ARG A 78 -3.170 -2.719 -11.269 1.00 0.00 C ATOM 1183 CG ARG A 78 -4.489 -2.365 -11.934 1.00 0.00 C ATOM 1184 CD ARG A 78 -4.582 -0.877 -12.229 1.00 0.00 C ATOM 1185 NE ARG A 78 -5.277 -0.609 -13.486 1.00 0.00 N ATOM 1186 CZ ARG A 78 -5.326 0.587 -14.066 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -4.722 1.629 -13.507 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -5.980 0.743 -15.210 1.00 0.00 N ATOM 0 H ARG A 78 -2.237 -3.106 -8.999 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.193 -4.480 -10.582 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.932 -1.958 -10.526 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.377 -2.693 -12.017 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.593 -2.928 -12.862 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.315 -2.661 -11.287 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.104 -0.378 -11.413 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.579 -0.453 -12.272 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.753 -1.385 -13.946 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.217 1.515 -12.628 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.763 2.544 -13.956 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.445 -0.054 -15.644 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.018 1.660 -15.655 1.00 0.00 H new ATOM 1202 N GLN A 79 -1.005 -5.065 -11.073 1.00 0.00 N ATOM 1203 CA GLN A 79 -0.061 -5.948 -11.750 1.00 0.00 C ATOM 1204 C GLN A 79 -0.314 -7.404 -11.376 1.00 0.00 C ATOM 1205 O GLN A 79 -0.115 -8.308 -12.188 1.00 0.00 O ATOM 1206 CB GLN A 79 1.375 -5.561 -11.395 1.00 0.00 C ATOM 1207 CG GLN A 79 1.889 -4.353 -12.163 1.00 0.00 C ATOM 1208 CD GLN A 79 3.378 -4.137 -11.982 1.00 0.00 C ATOM 1209 OE1 GLN A 79 4.196 -4.832 -12.584 1.00 0.00 O ATOM 1210 NE2 GLN A 79 3.738 -3.169 -11.147 1.00 0.00 N ATOM 0 H GLN A 79 -0.587 -4.464 -10.363 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.205 -5.837 -12.825 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.433 -5.353 -10.327 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.030 -6.410 -11.590 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.671 -4.481 -13.223 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.354 -3.463 -11.833 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.026 -2.617 -10.669 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.727 -2.978 -10.984 1.00 0.00 H new ATOM 1219 N MET A 80 -0.757 -7.626 -10.143 1.00 0.00 N ATOM 1220 CA MET A 80 -1.038 -8.973 -9.661 1.00 0.00 C ATOM 1221 C MET A 80 -2.401 -9.452 -10.150 1.00 0.00 C ATOM 1222 O MET A 80 -2.602 -10.643 -10.387 1.00 0.00 O ATOM 1223 CB MET A 80 -0.989 -9.011 -8.133 1.00 0.00 C ATOM 1224 CG MET A 80 0.393 -9.317 -7.576 1.00 0.00 C ATOM 1225 SD MET A 80 0.406 -9.436 -5.777 1.00 0.00 S ATOM 1226 CE MET A 80 -0.987 -10.528 -5.501 1.00 0.00 C ATOM 0 H MET A 80 -0.929 -6.889 -9.459 1.00 0.00 H new ATOM 0 HA MET A 80 -0.274 -9.641 -10.058 1.00 0.00 H new ATOM 0 HB2 MET A 80 -1.324 -8.050 -7.743 1.00 0.00 H new ATOM 0 HB3 MET A 80 -1.691 -9.763 -7.774 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.752 -10.254 -8.001 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.088 -8.538 -7.890 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.933 -10.939 -4.493 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.916 -9.969 -5.616 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.961 -11.342 -6.226 1.00 0.00 H new ATOM 1236 N GLY A 81 -3.333 -8.516 -10.301 1.00 0.00 N ATOM 1237 CA GLY A 81 -4.664 -8.863 -10.762 1.00 0.00 C ATOM 1238 C GLY A 81 -5.720 -8.669 -9.691 1.00 0.00 C ATOM 1239 O GLY A 81 -6.749 -9.344 -9.695 1.00 0.00 O ATOM 0 H GLY A 81 -3.190 -7.524 -10.112 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.915 -8.253 -11.629 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.671 -9.902 -11.091 1.00 0.00 H new ATOM 1243 N TYR A 82 -5.465 -7.746 -8.770 1.00 0.00 N ATOM 1244 CA TYR A 82 -6.402 -7.466 -7.689 1.00 0.00 C ATOM 1245 C TYR A 82 -7.350 -6.332 -8.070 1.00 0.00 C ATOM 1246 O TYR A 82 -6.916 -5.274 -8.524 1.00 0.00 O ATOM 1247 CB TYR A 82 -5.643 -7.105 -6.409 1.00 0.00 C ATOM 1248 CG TYR A 82 -5.590 -8.231 -5.400 1.00 0.00 C ATOM 1249 CD1 TYR A 82 -6.750 -8.713 -4.807 1.00 0.00 C ATOM 1250 CD2 TYR A 82 -4.380 -8.810 -5.041 1.00 0.00 C ATOM 1251 CE1 TYR A 82 -6.706 -9.740 -3.885 1.00 0.00 C ATOM 1252 CE2 TYR A 82 -4.327 -9.838 -4.119 1.00 0.00 C ATOM 1253 CZ TYR A 82 -5.492 -10.299 -3.544 1.00 0.00 C ATOM 1254 OH TYR A 82 -5.444 -11.323 -2.626 1.00 0.00 O ATOM 0 H TYR A 82 -4.617 -7.179 -8.751 1.00 0.00 H new ATOM 0 HA TYR A 82 -6.993 -8.365 -7.512 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.626 -6.813 -6.670 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.115 -6.237 -5.949 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.702 -8.277 -5.071 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.465 -8.451 -5.490 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.617 -10.104 -3.433 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.378 -10.278 -3.850 1.00 0.00 H new ATOM 0 HH TYR A 82 -4.511 -11.508 -2.390 1.00 0.00 H new ATOM 1264 N THR A 83 -8.645 -6.563 -7.884 1.00 0.00 N ATOM 1265 CA THR A 83 -9.655 -5.563 -8.209 1.00 0.00 C ATOM 1266 C THR A 83 -10.395 -5.112 -6.955 1.00 0.00 C ATOM 1267 O THR A 83 -10.682 -3.927 -6.783 1.00 0.00 O ATOM 1268 CB THR A 83 -10.647 -6.122 -9.228 1.00 0.00 C ATOM 1269 OG1 THR A 83 -9.965 -6.752 -10.299 1.00 0.00 O ATOM 1270 CG2 THR A 83 -11.555 -5.066 -9.821 1.00 0.00 C ATOM 0 H THR A 83 -9.020 -7.435 -7.510 1.00 0.00 H new ATOM 0 HA THR A 83 -9.150 -4.699 -8.642 1.00 0.00 H new ATOM 0 HB THR A 83 -11.258 -6.835 -8.675 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.617 -7.105 -10.940 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.234 -5.530 -10.536 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.132 -4.594 -9.026 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.953 -4.312 -10.329 1.00 0.00 H new ATOM 1278 N GLU A 84 -10.703 -6.064 -6.080 1.00 0.00 N ATOM 1279 CA GLU A 84 -11.410 -5.765 -4.841 1.00 0.00 C ATOM 1280 C GLU A 84 -10.538 -4.937 -3.904 1.00 0.00 C ATOM 1281 O GLU A 84 -11.033 -4.073 -3.179 1.00 0.00 O ATOM 1282 CB GLU A 84 -11.840 -7.061 -4.150 1.00 0.00 C ATOM 1283 CG GLU A 84 -13.267 -7.477 -4.470 1.00 0.00 C ATOM 1284 CD GLU A 84 -13.893 -8.307 -3.366 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -14.161 -7.748 -2.282 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -14.116 -9.517 -3.587 1.00 0.00 O ATOM 0 H GLU A 84 -10.474 -7.050 -6.207 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.298 -5.183 -5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.162 -7.862 -4.445 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.739 -6.939 -3.072 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.872 -6.586 -4.638 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.276 -8.048 -5.398 1.00 0.00 H new ATOM 1293 N ALA A 85 -9.236 -5.204 -3.924 1.00 0.00 N ATOM 1294 CA ALA A 85 -8.294 -4.484 -3.076 1.00 0.00 C ATOM 1295 C ALA A 85 -8.139 -3.038 -3.534 1.00 0.00 C ATOM 1296 O ALA A 85 -8.118 -2.117 -2.717 1.00 0.00 O ATOM 1297 CB ALA A 85 -6.945 -5.186 -3.073 1.00 0.00 C ATOM 0 H ALA A 85 -8.809 -5.914 -4.519 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.689 -4.476 -2.060 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.251 -4.638 -2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.064 -6.200 -2.692 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.552 -5.224 -4.089 1.00 0.00 H new ATOM 1303 N ILE A 86 -8.031 -2.846 -4.844 1.00 0.00 N ATOM 1304 CA ILE A 86 -7.878 -1.511 -5.410 1.00 0.00 C ATOM 1305 C ILE A 86 -9.169 -0.709 -5.285 1.00 0.00 C ATOM 1306 O ILE A 86 -9.142 0.515 -5.157 1.00 0.00 O ATOM 1307 CB ILE A 86 -7.466 -1.572 -6.894 1.00 0.00 C ATOM 1308 CG1 ILE A 86 -6.268 -2.506 -7.076 1.00 0.00 C ATOM 1309 CG2 ILE A 86 -7.142 -0.179 -7.413 1.00 0.00 C ATOM 1310 CD1 ILE A 86 -5.810 -2.627 -8.512 1.00 0.00 C ATOM 0 H ILE A 86 -8.047 -3.597 -5.534 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.090 -1.016 -4.842 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.302 -1.967 -7.471 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.439 -2.143 -6.468 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.529 -3.496 -6.702 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -6.853 -0.240 -8.462 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.020 0.459 -7.315 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.320 0.243 -6.834 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.958 -3.304 -8.566 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.624 -3.019 -9.122 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.517 -1.645 -8.885 1.00 0.00 H new ATOM 1322 N GLU A 87 -10.300 -1.407 -5.324 1.00 0.00 N ATOM 1323 CA GLU A 87 -11.602 -0.760 -5.215 1.00 0.00 C ATOM 1324 C GLU A 87 -11.799 -0.160 -3.826 1.00 0.00 C ATOM 1325 O GLU A 87 -12.482 0.851 -3.668 1.00 0.00 O ATOM 1326 CB GLU A 87 -12.719 -1.762 -5.513 1.00 0.00 C ATOM 1327 CG GLU A 87 -12.996 -1.938 -6.997 1.00 0.00 C ATOM 1328 CD GLU A 87 -14.476 -1.894 -7.324 1.00 0.00 C ATOM 1329 OE1 GLU A 87 -14.998 -0.785 -7.568 1.00 0.00 O ATOM 1330 OE2 GLU A 87 -15.114 -2.968 -7.336 1.00 0.00 O ATOM 0 H GLU A 87 -10.340 -2.421 -5.430 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.641 0.046 -5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.453 -2.728 -5.084 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.633 -1.434 -5.017 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.481 -1.155 -7.554 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.583 -2.890 -7.329 1.00 0.00 H new ATOM 1337 N VAL A 88 -11.195 -0.791 -2.824 1.00 0.00 N ATOM 1338 CA VAL A 88 -11.305 -0.317 -1.449 1.00 0.00 C ATOM 1339 C VAL A 88 -10.544 0.989 -1.254 1.00 0.00 C ATOM 1340 O VAL A 88 -10.961 1.854 -0.484 1.00 0.00 O ATOM 1341 CB VAL A 88 -10.770 -1.362 -0.450 1.00 0.00 C ATOM 1342 CG1 VAL A 88 -11.103 -0.956 0.977 1.00 0.00 C ATOM 1343 CG2 VAL A 88 -11.331 -2.742 -0.767 1.00 0.00 C ATOM 0 H VAL A 88 -10.626 -1.630 -2.938 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.365 -0.149 -1.257 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.685 -1.407 -0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.717 -1.706 1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.646 0.009 1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -12.184 -0.880 1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.942 -3.466 -0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.419 -2.716 -0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.034 -3.033 -1.775 1.00 0.00 H new ATOM 1353 N ILE A 89 -9.425 1.126 -1.957 1.00 0.00 N ATOM 1354 CA ILE A 89 -8.604 2.327 -1.862 1.00 0.00 C ATOM 1355 C ILE A 89 -9.270 3.503 -2.566 1.00 0.00 C ATOM 1356 O ILE A 89 -9.356 4.602 -2.017 1.00 0.00 O ATOM 1357 CB ILE A 89 -7.206 2.104 -2.472 1.00 0.00 C ATOM 1358 CG1 ILE A 89 -6.574 0.832 -1.904 1.00 0.00 C ATOM 1359 CG2 ILE A 89 -6.314 3.308 -2.210 1.00 0.00 C ATOM 1360 CD1 ILE A 89 -5.498 0.243 -2.790 1.00 0.00 C ATOM 0 H ILE A 89 -9.066 0.420 -2.599 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.497 2.553 -0.801 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.312 1.984 -3.550 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.147 1.054 -0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.354 0.087 -1.749 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.331 3.134 -2.647 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.759 4.195 -2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.212 3.458 -1.135 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.095 -0.656 -2.324 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.924 -0.011 -3.760 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.698 0.971 -2.925 1.00 0.00 H new ATOM 1372 N GLN A 90 -9.742 3.265 -3.786 1.00 0.00 N ATOM 1373 CA GLN A 90 -10.402 4.305 -4.566 1.00 0.00 C ATOM 1374 C GLN A 90 -11.749 4.676 -3.953 1.00 0.00 C ATOM 1375 O GLN A 90 -12.203 5.813 -4.071 1.00 0.00 O ATOM 1376 CB GLN A 90 -10.597 3.840 -6.010 1.00 0.00 C ATOM 1377 CG GLN A 90 -9.375 4.056 -6.889 1.00 0.00 C ATOM 1378 CD GLN A 90 -9.489 3.353 -8.226 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -9.610 2.031 -8.193 1.00 0.00 O flip ATOM 1380 NE2 GLN A 90 -9.467 3.990 -9.280 1.00 0.00 N flip ATOM 0 H GLN A 90 -9.679 2.361 -4.255 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.765 5.189 -4.558 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -10.852 2.780 -6.010 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.444 4.372 -6.443 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.235 5.124 -7.055 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.488 3.696 -6.367 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -9.373 5.005 -9.260 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.543 3.502 -10.172 1.00 0.00 H new ATOM 1389 N ALA A 91 -12.383 3.708 -3.297 1.00 0.00 N ATOM 1390 CA ALA A 91 -13.677 3.934 -2.666 1.00 0.00 C ATOM 1391 C ALA A 91 -13.597 5.053 -1.633 1.00 0.00 C ATOM 1392 O ALA A 91 -14.570 5.772 -1.405 1.00 0.00 O ATOM 1393 CB ALA A 91 -14.179 2.652 -2.020 1.00 0.00 C ATOM 0 H ALA A 91 -12.021 2.761 -3.189 1.00 0.00 H new ATOM 0 HA ALA A 91 -14.382 4.239 -3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -15.146 2.835 -1.552 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -14.284 1.878 -2.781 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -13.467 2.323 -1.263 1.00 0.00 H new