USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 492 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 34 TYR OH : rot -130:sc= 0.439 USER MOD Set 1.2: A 72 MET CE :methyl -165:sc= -0.538 (180deg=-0.604) USER MOD Set 2.1: A 49 ASN :FLIP amide:sc= 0.324 F(o=-0.79,f=-0.14) USER MOD Set 2.2: A 56 GLN :FLIP amide:sc= -0.46 F(o=-0.79,f=-0.14) USER MOD Set 3.1: A 23 GLN : amide:sc= 0 K(o=-0.033,f=-0.91) USER MOD Set 3.2: A 26 MET CE :methyl 150:sc= -0.0334 (180deg=-0.322) USER MOD Single : A 14 TYR OH : rot 30:sc= -0.784 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 21 THR OG1 : rot -29:sc= 0.281 USER MOD Single : A 30 MET CE :methyl 163:sc= -0.0699 (180deg=-0.539) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -0.705 F(o=-3.9!,f=-0.7) USER MOD Single : A 48 SER OG : rot 57:sc= 0.156 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.617 K(o=-0.62,f=-1.8!) USER MOD Single : A 61 SER OG : rot 137:sc= 0.0274 USER MOD Single : A 62 THR OG1 : rot -173:sc= 0.303 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00692 USER MOD Single : A 66 TYR OH : rot 30:sc= -0.971 USER MOD Single : A 69 HIS :FLIP no HD1:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.165 X(o=-0.16,f=-0.0032) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 14 -12.403 4.507 -4.643 1.00 0.00 N ATOM 2 CA TYR A 14 -11.339 5.028 -3.754 1.00 0.00 C ATOM 3 C TYR A 14 -9.965 4.575 -4.285 1.00 0.00 C ATOM 4 O TYR A 14 -8.974 5.314 -4.219 1.00 0.00 O ATOM 5 CB TYR A 14 -11.555 4.555 -2.287 1.00 0.00 C ATOM 6 CG TYR A 14 -10.484 5.064 -1.299 1.00 0.00 C ATOM 7 CD1 TYR A 14 -10.251 6.435 -1.146 1.00 0.00 C ATOM 8 CD2 TYR A 14 -9.699 4.184 -0.538 1.00 0.00 C ATOM 9 CE1 TYR A 14 -9.284 6.906 -0.282 1.00 0.00 C ATOM 10 CE2 TYR A 14 -8.733 4.655 0.332 1.00 0.00 C ATOM 11 CZ TYR A 14 -8.529 6.018 0.454 1.00 0.00 C ATOM 12 OH TYR A 14 -7.562 6.502 1.307 1.00 0.00 O ATOM 0 HA TYR A 14 -11.378 6.117 -3.751 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.535 4.890 -1.949 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -11.566 3.465 -2.265 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -10.840 7.139 -1.716 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.852 3.119 -0.634 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -9.119 7.969 -0.182 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.141 3.963 0.913 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.830 7.385 1.638 1.00 0.00 H new ATOM 22 N GLY A 15 -9.959 3.355 -4.855 1.00 0.00 N ATOM 23 CA GLY A 15 -8.785 2.795 -5.511 1.00 0.00 C ATOM 24 C GLY A 15 -8.359 3.567 -6.746 1.00 0.00 C ATOM 25 O GLY A 15 -7.184 3.548 -7.114 1.00 0.00 O ATOM 0 H GLY A 15 -10.772 2.739 -4.868 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.958 2.773 -4.802 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.992 1.762 -5.791 1.00 0.00 H new ATOM 29 N GLU A 16 -9.328 4.245 -7.383 1.00 0.00 N ATOM 30 CA GLU A 16 -9.067 5.067 -8.569 1.00 0.00 C ATOM 31 C GLU A 16 -8.299 6.331 -8.168 1.00 0.00 C ATOM 32 O GLU A 16 -7.296 6.674 -8.789 1.00 0.00 O ATOM 33 CB GLU A 16 -10.389 5.455 -9.276 1.00 0.00 C ATOM 34 CG GLU A 16 -10.204 5.958 -10.721 1.00 0.00 C ATOM 35 CD GLU A 16 -9.658 4.875 -11.663 1.00 0.00 C ATOM 36 OE1 GLU A 16 -10.296 3.803 -11.758 1.00 0.00 O ATOM 37 OE2 GLU A 16 -8.612 5.091 -12.318 1.00 0.00 O ATOM 0 H GLU A 16 -10.305 4.237 -7.091 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.465 4.483 -9.265 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.051 4.589 -9.286 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.886 6.230 -8.693 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.161 6.315 -11.102 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.523 6.809 -10.720 1.00 0.00 H new ATOM 44 N TYR A 17 -8.791 6.999 -7.095 1.00 0.00 N ATOM 45 CA TYR A 17 -8.183 8.233 -6.557 1.00 0.00 C ATOM 46 C TYR A 17 -6.720 7.995 -6.148 1.00 0.00 C ATOM 47 O TYR A 17 -5.820 8.734 -6.569 1.00 0.00 O ATOM 48 CB TYR A 17 -9.013 8.736 -5.333 1.00 0.00 C ATOM 49 CG TYR A 17 -8.286 9.758 -4.424 1.00 0.00 C ATOM 50 CD1 TYR A 17 -8.119 11.093 -4.807 1.00 0.00 C ATOM 51 CD2 TYR A 17 -7.735 9.365 -3.192 1.00 0.00 C ATOM 52 CE1 TYR A 17 -7.442 11.991 -3.999 1.00 0.00 C ATOM 53 CE2 TYR A 17 -7.056 10.258 -2.390 1.00 0.00 C ATOM 54 CZ TYR A 17 -6.912 11.566 -2.794 1.00 0.00 C ATOM 55 OH TYR A 17 -6.229 12.457 -1.992 1.00 0.00 O ATOM 0 H TYR A 17 -9.619 6.695 -6.582 1.00 0.00 H new ATOM 0 HA TYR A 17 -8.193 8.994 -7.337 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -9.934 9.189 -5.699 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -9.300 7.875 -4.729 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.525 11.429 -5.749 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.846 8.341 -2.866 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.328 13.019 -4.308 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -6.639 9.932 -1.449 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.922 11.999 -1.182 1.00 0.00 H new ATOM 65 N VAL A 18 -6.497 6.925 -5.362 1.00 0.00 N ATOM 66 CA VAL A 18 -5.172 6.606 -4.812 1.00 0.00 C ATOM 67 C VAL A 18 -4.197 6.194 -5.934 1.00 0.00 C ATOM 68 O VAL A 18 -3.025 6.564 -5.898 1.00 0.00 O ATOM 69 CB VAL A 18 -5.229 5.528 -3.664 1.00 0.00 C ATOM 70 CG1 VAL A 18 -6.110 6.007 -2.485 1.00 0.00 C ATOM 71 CG2 VAL A 18 -5.689 4.154 -4.175 1.00 0.00 C ATOM 0 H VAL A 18 -7.226 6.264 -5.094 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.793 7.517 -4.349 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.210 5.406 -3.297 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.129 5.241 -1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.698 6.929 -2.074 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.125 6.189 -2.839 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.712 3.446 -3.346 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.687 4.241 -4.605 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.995 3.798 -4.937 1.00 0.00 H new ATOM 81 N GLN A 19 -4.717 5.476 -6.953 1.00 0.00 N ATOM 82 CA GLN A 19 -3.931 5.044 -8.129 1.00 0.00 C ATOM 83 C GLN A 19 -3.247 6.245 -8.820 1.00 0.00 C ATOM 84 O GLN A 19 -2.132 6.133 -9.326 1.00 0.00 O ATOM 85 CB GLN A 19 -4.854 4.318 -9.146 1.00 0.00 C ATOM 86 CG GLN A 19 -4.128 3.746 -10.382 1.00 0.00 C ATOM 87 CD GLN A 19 -5.063 3.278 -11.502 1.00 0.00 C ATOM 88 OE1 GLN A 19 -6.192 2.839 -11.267 1.00 0.00 O ATOM 89 NE2 GLN A 19 -4.591 3.365 -12.739 1.00 0.00 N ATOM 0 H GLN A 19 -5.693 5.180 -6.983 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.156 4.361 -7.781 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -5.367 3.504 -8.634 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.621 5.016 -9.483 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.457 4.508 -10.779 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.507 2.907 -10.068 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.654 3.732 -12.903 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.166 3.065 -13.526 1.00 0.00 H new ATOM 98 N GLN A 20 -3.925 7.399 -8.811 1.00 0.00 N ATOM 99 CA GLN A 20 -3.437 8.609 -9.487 1.00 0.00 C ATOM 100 C GLN A 20 -2.465 9.399 -8.580 1.00 0.00 C ATOM 101 O GLN A 20 -1.365 9.774 -9.006 1.00 0.00 O ATOM 102 CB GLN A 20 -4.629 9.508 -9.907 1.00 0.00 C ATOM 103 CG GLN A 20 -5.813 8.761 -10.561 1.00 0.00 C ATOM 104 CD GLN A 20 -5.463 7.897 -11.780 1.00 0.00 C ATOM 105 OE1 GLN A 20 -4.560 8.210 -12.555 1.00 0.00 O ATOM 106 NE2 GLN A 20 -6.189 6.799 -11.961 1.00 0.00 N ATOM 0 H GLN A 20 -4.821 7.521 -8.339 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.893 8.301 -10.380 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.994 10.036 -9.026 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.267 10.264 -10.604 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.277 8.124 -9.808 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.560 9.495 -10.862 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.932 6.564 -11.302 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.004 6.191 -12.759 1.00 0.00 H new ATOM 115 N THR A 21 -2.881 9.626 -7.320 1.00 0.00 N ATOM 116 CA THR A 21 -2.194 10.564 -6.402 1.00 0.00 C ATOM 117 C THR A 21 -1.014 9.921 -5.625 1.00 0.00 C ATOM 118 O THR A 21 -0.252 10.650 -4.980 1.00 0.00 O ATOM 119 CB THR A 21 -3.217 11.212 -5.405 1.00 0.00 C ATOM 120 OG1 THR A 21 -2.595 12.254 -4.622 1.00 0.00 O ATOM 121 CG2 THR A 21 -3.841 10.177 -4.465 1.00 0.00 C ATOM 0 H THR A 21 -3.696 9.170 -6.909 1.00 0.00 H new ATOM 0 HA THR A 21 -1.759 11.339 -7.033 1.00 0.00 H new ATOM 0 HB THR A 21 -4.010 11.644 -6.016 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.641 12.056 -4.513 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.542 10.672 -3.793 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.369 9.425 -5.051 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.056 9.696 -3.881 1.00 0.00 H new ATOM 129 N LEU A 22 -0.854 8.577 -5.685 1.00 0.00 N ATOM 130 CA LEU A 22 0.258 7.879 -4.986 1.00 0.00 C ATOM 131 C LEU A 22 1.617 8.269 -5.621 1.00 0.00 C ATOM 132 O LEU A 22 1.925 7.851 -6.736 1.00 0.00 O ATOM 133 CB LEU A 22 0.065 6.310 -4.993 1.00 0.00 C ATOM 134 CG LEU A 22 -0.244 5.612 -3.617 1.00 0.00 C ATOM 135 CD1 LEU A 22 0.626 6.169 -2.487 1.00 0.00 C ATOM 136 CD2 LEU A 22 -1.721 5.672 -3.239 1.00 0.00 C ATOM 0 H LEU A 22 -1.474 7.957 -6.205 1.00 0.00 H new ATOM 0 HA LEU A 22 0.250 8.199 -3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.747 6.074 -5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.970 5.861 -5.403 1.00 0.00 H new ATOM 0 HG LEU A 22 0.009 4.561 -3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.381 5.660 -1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.678 6.007 -2.724 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.440 7.237 -2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.872 5.174 -2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.034 6.713 -3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.313 5.171 -4.005 1.00 0.00 H new ATOM 148 N GLN A 23 2.405 9.090 -4.901 1.00 0.00 N ATOM 149 CA GLN A 23 3.727 9.586 -5.360 1.00 0.00 C ATOM 150 C GLN A 23 4.862 8.681 -4.818 1.00 0.00 C ATOM 151 O GLN A 23 4.832 8.341 -3.631 1.00 0.00 O ATOM 152 CB GLN A 23 3.925 11.046 -4.870 1.00 0.00 C ATOM 153 CG GLN A 23 2.870 12.044 -5.383 1.00 0.00 C ATOM 154 CD GLN A 23 2.999 13.432 -4.748 1.00 0.00 C ATOM 155 OE1 GLN A 23 2.374 13.725 -3.731 1.00 0.00 O ATOM 156 NE2 GLN A 23 3.848 14.273 -5.319 1.00 0.00 N ATOM 0 H GLN A 23 2.145 9.433 -3.976 1.00 0.00 H new ATOM 0 HA GLN A 23 3.761 9.561 -6.449 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.914 11.054 -3.780 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.912 11.389 -5.181 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.961 12.136 -6.465 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.875 11.649 -5.179 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.350 13.996 -6.163 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.000 15.197 -4.915 1.00 0.00 H new ATOM 165 N PRO A 24 5.856 8.243 -5.677 1.00 0.00 N ATOM 166 CA PRO A 24 7.013 7.403 -5.237 1.00 0.00 C ATOM 167 C PRO A 24 7.860 8.044 -4.106 1.00 0.00 C ATOM 168 O PRO A 24 8.850 8.740 -4.362 1.00 0.00 O ATOM 169 CB PRO A 24 7.838 7.200 -6.543 1.00 0.00 C ATOM 170 CG PRO A 24 6.843 7.398 -7.645 1.00 0.00 C ATOM 171 CD PRO A 24 5.908 8.482 -7.147 1.00 0.00 C ATOM 0 HA PRO A 24 6.678 6.467 -4.790 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.656 7.917 -6.612 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.282 6.205 -6.582 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.335 7.697 -8.571 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.300 6.476 -7.856 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.287 9.477 -7.379 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.921 8.402 -7.602 1.00 0.00 H new ATOM 179 N GLY A 25 7.411 7.839 -2.857 1.00 0.00 N ATOM 180 CA GLY A 25 8.129 8.275 -1.660 1.00 0.00 C ATOM 181 C GLY A 25 7.199 8.809 -0.576 1.00 0.00 C ATOM 182 O GLY A 25 7.673 9.295 0.460 1.00 0.00 O ATOM 0 H GLY A 25 6.533 7.362 -2.654 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.703 7.438 -1.261 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.845 9.051 -1.933 1.00 0.00 H new ATOM 186 N MET A 26 5.865 8.724 -0.799 1.00 0.00 N ATOM 187 CA MET A 26 4.864 9.201 0.181 1.00 0.00 C ATOM 188 C MET A 26 4.442 8.064 1.124 1.00 0.00 C ATOM 189 O MET A 26 4.689 6.883 0.856 1.00 0.00 O ATOM 190 CB MET A 26 3.606 9.822 -0.499 1.00 0.00 C ATOM 191 CG MET A 26 2.697 8.848 -1.264 1.00 0.00 C ATOM 192 SD MET A 26 0.966 9.391 -1.311 1.00 0.00 S ATOM 193 CE MET A 26 1.082 11.056 -1.973 1.00 0.00 C ATOM 0 H MET A 26 5.460 8.330 -1.648 1.00 0.00 H new ATOM 0 HA MET A 26 5.346 9.991 0.757 1.00 0.00 H new ATOM 0 HB2 MET A 26 3.010 10.315 0.269 1.00 0.00 H new ATOM 0 HB3 MET A 26 3.938 10.596 -1.191 1.00 0.00 H new ATOM 0 HG2 MET A 26 3.066 8.738 -2.284 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.752 7.864 -0.797 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.176 11.289 -2.531 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.197 11.766 -1.154 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.944 11.125 -2.636 1.00 0.00 H new ATOM 203 N ARG A 27 3.760 8.458 2.204 1.00 0.00 N ATOM 204 CA ARG A 27 3.356 7.575 3.300 1.00 0.00 C ATOM 205 C ARG A 27 1.995 6.969 2.985 1.00 0.00 C ATOM 206 O ARG A 27 1.069 7.675 2.559 1.00 0.00 O ATOM 207 CB ARG A 27 3.338 8.372 4.651 1.00 0.00 C ATOM 208 CG ARG A 27 2.674 7.659 5.876 1.00 0.00 C ATOM 209 CD ARG A 27 1.192 8.051 6.093 1.00 0.00 C ATOM 210 NE ARG A 27 0.601 7.389 7.282 1.00 0.00 N ATOM 211 CZ ARG A 27 -0.120 8.004 8.243 1.00 0.00 C ATOM 212 NH1 ARG A 27 -0.242 9.325 8.265 1.00 0.00 N ATOM 213 NH2 ARG A 27 -0.687 7.287 9.208 1.00 0.00 N ATOM 0 H ARG A 27 3.467 9.425 2.343 1.00 0.00 H new ATOM 0 HA ARG A 27 4.074 6.762 3.407 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.367 8.617 4.916 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.819 9.315 4.483 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.739 6.580 5.737 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.240 7.899 6.776 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.118 9.132 6.208 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.615 7.784 5.208 1.00 0.00 H new ATOM 0 HE ARG A 27 0.752 6.385 7.381 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.213 9.891 7.549 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.791 9.774 8.998 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.577 6.273 9.222 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.232 7.751 9.935 1.00 0.00 H new ATOM 227 N VAL A 28 1.878 5.658 3.212 1.00 0.00 N ATOM 228 CA VAL A 28 0.619 4.925 3.072 1.00 0.00 C ATOM 229 C VAL A 28 0.218 4.353 4.442 1.00 0.00 C ATOM 230 O VAL A 28 0.986 4.422 5.415 1.00 0.00 O ATOM 231 CB VAL A 28 0.694 3.771 1.990 1.00 0.00 C ATOM 232 CG1 VAL A 28 1.338 4.261 0.674 1.00 0.00 C ATOM 233 CG2 VAL A 28 1.399 2.504 2.531 1.00 0.00 C ATOM 0 H VAL A 28 2.661 5.072 3.500 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.137 5.626 2.718 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.334 3.488 1.764 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.371 3.440 -0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.747 5.079 0.262 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.351 4.610 0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.425 1.742 1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.417 2.754 2.829 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.851 2.123 3.393 1.00 0.00 H new ATOM 243 N ARG A 29 -0.986 3.799 4.495 1.00 0.00 N ATOM 244 CA ARG A 29 -1.581 3.231 5.699 1.00 0.00 C ATOM 245 C ARG A 29 -2.541 2.108 5.243 1.00 0.00 C ATOM 246 O ARG A 29 -3.233 2.245 4.234 1.00 0.00 O ATOM 247 CB ARG A 29 -2.282 4.391 6.482 1.00 0.00 C ATOM 248 CG ARG A 29 -2.784 4.077 7.913 1.00 0.00 C ATOM 249 CD ARG A 29 -4.083 3.267 7.937 1.00 0.00 C ATOM 250 NE ARG A 29 -4.633 3.121 9.297 1.00 0.00 N ATOM 251 CZ ARG A 29 -5.927 2.911 9.583 1.00 0.00 C ATOM 252 NH1 ARG A 29 -6.857 2.939 8.629 1.00 0.00 N ATOM 253 NH2 ARG A 29 -6.289 2.720 10.840 1.00 0.00 N ATOM 0 H ARG A 29 -1.594 3.730 3.679 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.855 2.787 6.380 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.584 5.226 6.544 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.134 4.730 5.892 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.011 3.526 8.449 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.938 5.013 8.450 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.822 3.753 7.300 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.899 2.279 7.515 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.981 3.184 10.079 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.590 3.122 7.662 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.836 2.777 8.866 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.588 2.733 11.580 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.270 2.559 11.069 1.00 0.00 H new ATOM 267 N MET A 30 -2.564 0.992 5.975 1.00 0.00 N ATOM 268 CA MET A 30 -3.353 -0.196 5.598 1.00 0.00 C ATOM 269 C MET A 30 -4.794 -0.081 6.113 1.00 0.00 C ATOM 270 O MET A 30 -5.030 0.186 7.294 1.00 0.00 O ATOM 271 CB MET A 30 -2.664 -1.491 6.090 1.00 0.00 C ATOM 272 CG MET A 30 -3.435 -2.786 5.798 1.00 0.00 C ATOM 273 SD MET A 30 -4.278 -2.817 4.188 1.00 0.00 S ATOM 274 CE MET A 30 -2.938 -2.760 3.007 1.00 0.00 C ATOM 0 H MET A 30 -2.041 0.881 6.843 1.00 0.00 H new ATOM 0 HA MET A 30 -3.402 -0.248 4.510 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.680 -1.560 5.627 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.506 -1.415 7.166 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.741 -3.625 5.846 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.175 -2.938 6.584 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.302 -3.073 2.028 1.00 0.00 H new ATOM 0 HE2 MET A 30 -2.553 -1.742 2.942 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.140 -3.430 3.329 1.00 0.00 H new ATOM 284 N LEU A 31 -5.749 -0.293 5.197 1.00 0.00 N ATOM 285 CA LEU A 31 -7.184 -0.090 5.447 1.00 0.00 C ATOM 286 C LEU A 31 -7.930 -1.444 5.592 1.00 0.00 C ATOM 287 O LEU A 31 -9.120 -1.472 5.931 1.00 0.00 O ATOM 288 CB LEU A 31 -7.772 0.752 4.277 1.00 0.00 C ATOM 289 CG LEU A 31 -9.205 1.341 4.479 1.00 0.00 C ATOM 290 CD1 LEU A 31 -9.247 2.329 5.672 1.00 0.00 C ATOM 291 CD2 LEU A 31 -9.722 1.989 3.172 1.00 0.00 C ATOM 0 H LEU A 31 -5.545 -0.614 4.251 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.318 0.443 6.388 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.090 1.579 4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.785 0.128 3.383 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.877 0.519 4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.258 2.720 5.785 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.955 1.810 6.585 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.558 3.153 5.487 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.721 2.392 3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.050 2.794 2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.759 1.238 2.383 1.00 0.00 H new ATOM 303 N ASP A 32 -7.213 -2.567 5.354 1.00 0.00 N ATOM 304 CA ASP A 32 -7.804 -3.930 5.337 1.00 0.00 C ATOM 305 C ASP A 32 -6.884 -4.945 6.051 1.00 0.00 C ATOM 306 O ASP A 32 -5.698 -4.698 6.230 1.00 0.00 O ATOM 307 CB ASP A 32 -8.061 -4.370 3.872 1.00 0.00 C ATOM 308 CG ASP A 32 -8.822 -5.706 3.753 1.00 0.00 C ATOM 309 OD1 ASP A 32 -10.019 -5.742 4.106 1.00 0.00 O ATOM 310 OD2 ASP A 32 -8.238 -6.712 3.305 1.00 0.00 O ATOM 0 H ASP A 32 -6.210 -2.556 5.168 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.751 -3.903 5.876 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.628 -3.592 3.362 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.105 -4.458 3.355 1.00 0.00 H new ATOM 315 N ASP A 33 -7.448 -6.088 6.457 1.00 0.00 N ATOM 316 CA ASP A 33 -6.686 -7.174 7.102 1.00 0.00 C ATOM 317 C ASP A 33 -6.011 -8.036 6.020 1.00 0.00 C ATOM 318 O ASP A 33 -6.661 -8.502 5.082 1.00 0.00 O ATOM 319 CB ASP A 33 -7.606 -8.018 8.034 1.00 0.00 C ATOM 320 CG ASP A 33 -8.823 -8.648 7.321 1.00 0.00 C ATOM 321 OD1 ASP A 33 -9.773 -7.909 6.976 1.00 0.00 O ATOM 322 OD2 ASP A 33 -8.835 -9.877 7.092 1.00 0.00 O ATOM 0 H ASP A 33 -8.442 -6.290 6.350 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.907 -6.748 7.734 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.014 -8.813 8.488 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.963 -7.383 8.845 1.00 0.00 H new ATOM 327 N TYR A 34 -4.694 -8.229 6.160 1.00 0.00 N ATOM 328 CA TYR A 34 -3.849 -8.925 5.167 1.00 0.00 C ATOM 329 C TYR A 34 -3.127 -10.126 5.790 1.00 0.00 C ATOM 330 O TYR A 34 -3.161 -10.327 7.010 1.00 0.00 O ATOM 331 CB TYR A 34 -2.831 -7.937 4.496 1.00 0.00 C ATOM 332 CG TYR A 34 -3.294 -7.433 3.127 1.00 0.00 C ATOM 333 CD1 TYR A 34 -4.181 -6.361 3.011 1.00 0.00 C ATOM 334 CD2 TYR A 34 -2.864 -8.059 1.951 1.00 0.00 C ATOM 335 CE1 TYR A 34 -4.615 -5.931 1.773 1.00 0.00 C ATOM 336 CE2 TYR A 34 -3.303 -7.635 0.716 1.00 0.00 C ATOM 337 CZ TYR A 34 -4.175 -6.573 0.630 1.00 0.00 C ATOM 338 OH TYR A 34 -4.620 -6.163 -0.606 1.00 0.00 O ATOM 0 H TYR A 34 -4.173 -7.904 6.975 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.507 -9.306 4.386 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.674 -7.084 5.156 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.869 -8.437 4.386 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.532 -5.861 3.902 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.176 -8.889 2.013 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.296 -5.096 1.697 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.965 -8.133 -0.181 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.938 -6.939 -1.113 1.00 0.00 H new ATOM 348 N GLU A 35 -2.487 -10.909 4.897 1.00 0.00 N ATOM 349 CA GLU A 35 -1.718 -12.137 5.221 1.00 0.00 C ATOM 350 C GLU A 35 -0.711 -11.899 6.371 1.00 0.00 C ATOM 351 O GLU A 35 -0.605 -12.691 7.312 1.00 0.00 O ATOM 352 CB GLU A 35 -0.927 -12.597 3.956 1.00 0.00 C ATOM 353 CG GLU A 35 -1.744 -12.667 2.646 1.00 0.00 C ATOM 354 CD GLU A 35 -2.839 -13.747 2.640 1.00 0.00 C ATOM 355 OE1 GLU A 35 -2.498 -14.948 2.596 1.00 0.00 O ATOM 356 OE2 GLU A 35 -4.041 -13.402 2.660 1.00 0.00 O ATOM 0 H GLU A 35 -2.489 -10.701 3.898 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.429 -12.900 5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.090 -11.915 3.805 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.504 -13.582 4.152 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.207 -11.696 2.468 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.062 -12.853 1.816 1.00 0.00 H new ATOM 363 N GLU A 36 0.007 -10.770 6.265 1.00 0.00 N ATOM 364 CA GLU A 36 1.158 -10.444 7.128 1.00 0.00 C ATOM 365 C GLU A 36 1.067 -9.009 7.680 1.00 0.00 C ATOM 366 O GLU A 36 1.908 -8.585 8.479 1.00 0.00 O ATOM 367 CB GLU A 36 2.448 -10.644 6.294 1.00 0.00 C ATOM 368 CG GLU A 36 2.524 -9.792 5.004 1.00 0.00 C ATOM 369 CD GLU A 36 3.634 -10.253 4.052 1.00 0.00 C ATOM 370 OE1 GLU A 36 3.576 -11.411 3.596 1.00 0.00 O ATOM 371 OE2 GLU A 36 4.557 -9.473 3.747 1.00 0.00 O ATOM 0 H GLU A 36 -0.195 -10.050 5.572 1.00 0.00 H new ATOM 0 HA GLU A 36 1.166 -11.104 7.996 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.309 -10.408 6.920 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.529 -11.697 6.023 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.566 -9.838 4.487 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.692 -8.749 5.272 1.00 0.00 H new ATOM 378 N ILE A 37 0.053 -8.258 7.218 1.00 0.00 N ATOM 379 CA ILE A 37 -0.190 -6.859 7.617 1.00 0.00 C ATOM 380 C ILE A 37 -1.571 -6.785 8.292 1.00 0.00 C ATOM 381 O ILE A 37 -2.499 -7.460 7.856 1.00 0.00 O ATOM 382 CB ILE A 37 -0.171 -5.904 6.355 1.00 0.00 C ATOM 383 CG1 ILE A 37 1.058 -6.208 5.411 1.00 0.00 C ATOM 384 CG2 ILE A 37 -0.180 -4.413 6.780 1.00 0.00 C ATOM 385 CD1 ILE A 37 0.718 -6.226 3.928 1.00 0.00 C ATOM 0 H ILE A 37 -0.631 -8.609 6.548 1.00 0.00 H new ATOM 0 HA ILE A 37 0.594 -6.536 8.302 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.081 -6.102 5.788 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.830 -5.458 5.586 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.483 -7.173 5.686 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.167 -3.781 5.892 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.080 -4.205 7.359 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.700 -4.203 7.388 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.617 -6.442 3.351 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.030 -6.995 3.735 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.323 -5.254 3.634 1.00 0.00 H new ATOM 397 N SER A 38 -1.702 -5.994 9.353 1.00 0.00 N ATOM 398 CA SER A 38 -3.002 -5.716 9.984 1.00 0.00 C ATOM 399 C SER A 38 -3.501 -4.338 9.525 1.00 0.00 C ATOM 400 O SER A 38 -2.690 -3.468 9.152 1.00 0.00 O ATOM 401 CB SER A 38 -2.861 -5.780 11.523 1.00 0.00 C ATOM 402 OG SER A 38 -4.071 -5.451 12.187 1.00 0.00 O ATOM 0 H SER A 38 -0.916 -5.525 9.804 1.00 0.00 H new ATOM 0 HA SER A 38 -3.733 -6.467 9.683 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.549 -6.782 11.816 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.075 -5.095 11.843 1.00 0.00 H new ATOM 0 HG SER A 38 -3.938 -5.506 13.156 1.00 0.00 H new ATOM 408 N ALA A 39 -4.839 -4.147 9.531 1.00 0.00 N ATOM 409 CA ALA A 39 -5.451 -2.846 9.225 1.00 0.00 C ATOM 410 C ALA A 39 -5.039 -1.830 10.302 1.00 0.00 C ATOM 411 O ALA A 39 -5.376 -1.996 11.482 1.00 0.00 O ATOM 412 CB ALA A 39 -6.982 -2.977 9.140 1.00 0.00 C ATOM 0 H ALA A 39 -5.512 -4.883 9.746 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.098 -2.495 8.255 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.418 -2.004 8.913 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.243 -3.685 8.353 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.370 -3.335 10.094 1.00 0.00 H new ATOM 418 N GLY A 40 -4.283 -0.808 9.883 1.00 0.00 N ATOM 419 CA GLY A 40 -3.727 0.197 10.787 1.00 0.00 C ATOM 420 C GLY A 40 -2.253 0.455 10.518 1.00 0.00 C ATOM 421 O GLY A 40 -1.791 1.601 10.615 1.00 0.00 O ATOM 0 H GLY A 40 -4.041 -0.657 8.904 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.283 1.128 10.679 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.855 -0.133 11.818 1.00 0.00 H new ATOM 425 N ASP A 41 -1.523 -0.621 10.153 1.00 0.00 N ATOM 426 CA ASP A 41 -0.064 -0.565 9.902 1.00 0.00 C ATOM 427 C ASP A 41 0.270 0.348 8.719 1.00 0.00 C ATOM 428 O ASP A 41 -0.443 0.366 7.724 1.00 0.00 O ATOM 429 CB ASP A 41 0.512 -1.982 9.659 1.00 0.00 C ATOM 430 CG ASP A 41 0.545 -2.850 10.927 1.00 0.00 C ATOM 431 OD1 ASP A 41 1.316 -2.524 11.854 1.00 0.00 O ATOM 432 OD2 ASP A 41 -0.154 -3.879 10.991 1.00 0.00 O ATOM 0 H ASP A 41 -1.925 -1.550 10.024 1.00 0.00 H new ATOM 0 HA ASP A 41 0.400 -0.146 10.795 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.086 -2.484 8.899 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.523 -1.893 9.262 1.00 0.00 H new ATOM 437 N GLU A 42 1.372 1.094 8.848 1.00 0.00 N ATOM 438 CA GLU A 42 1.798 2.095 7.861 1.00 0.00 C ATOM 439 C GLU A 42 2.948 1.560 6.989 1.00 0.00 C ATOM 440 O GLU A 42 3.623 0.579 7.342 1.00 0.00 O ATOM 441 CB GLU A 42 2.216 3.387 8.603 1.00 0.00 C ATOM 442 CG GLU A 42 1.088 4.030 9.442 1.00 0.00 C ATOM 443 CD GLU A 42 1.584 5.194 10.313 1.00 0.00 C ATOM 444 OE1 GLU A 42 2.085 6.189 9.750 1.00 0.00 O ATOM 445 OE2 GLU A 42 1.494 5.114 11.555 1.00 0.00 O ATOM 0 H GLU A 42 2.000 1.020 9.648 1.00 0.00 H new ATOM 0 HA GLU A 42 0.966 2.317 7.192 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.057 3.160 9.259 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.569 4.114 7.872 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.305 4.390 8.775 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.638 3.270 10.081 1.00 0.00 H new ATOM 452 N GLY A 43 3.142 2.220 5.842 1.00 0.00 N ATOM 453 CA GLY A 43 4.149 1.840 4.855 1.00 0.00 C ATOM 454 C GLY A 43 4.590 3.030 4.026 1.00 0.00 C ATOM 455 O GLY A 43 4.229 4.173 4.338 1.00 0.00 O ATOM 0 H GLY A 43 2.598 3.040 5.574 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.012 1.408 5.362 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.745 1.068 4.200 1.00 0.00 H new ATOM 459 N GLU A 44 5.359 2.766 2.956 1.00 0.00 N ATOM 460 CA GLU A 44 5.752 3.795 1.979 1.00 0.00 C ATOM 461 C GLU A 44 5.573 3.228 0.576 1.00 0.00 C ATOM 462 O GLU A 44 5.919 2.071 0.313 1.00 0.00 O ATOM 463 CB GLU A 44 7.227 4.272 2.152 1.00 0.00 C ATOM 464 CG GLU A 44 7.575 5.508 1.284 1.00 0.00 C ATOM 465 CD GLU A 44 9.082 5.810 1.186 1.00 0.00 C ATOM 466 OE1 GLU A 44 9.666 6.293 2.172 1.00 0.00 O ATOM 467 OE2 GLU A 44 9.687 5.568 0.116 1.00 0.00 O ATOM 0 H GLU A 44 5.724 1.837 2.745 1.00 0.00 H new ATOM 0 HA GLU A 44 5.115 4.664 2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.404 4.511 3.201 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.899 3.454 1.894 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.181 5.354 0.279 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.068 6.381 1.695 1.00 0.00 H new ATOM 474 N PHE A 45 5.034 4.058 -0.312 1.00 0.00 N ATOM 475 CA PHE A 45 4.909 3.749 -1.734 1.00 0.00 C ATOM 476 C PHE A 45 6.214 4.121 -2.439 1.00 0.00 C ATOM 477 O PHE A 45 6.620 5.276 -2.396 1.00 0.00 O ATOM 478 CB PHE A 45 3.721 4.554 -2.293 1.00 0.00 C ATOM 479 CG PHE A 45 3.500 4.459 -3.804 1.00 0.00 C ATOM 480 CD1 PHE A 45 4.124 5.356 -4.662 1.00 0.00 C ATOM 481 CD2 PHE A 45 2.644 3.521 -4.356 1.00 0.00 C ATOM 482 CE1 PHE A 45 3.910 5.314 -6.015 1.00 0.00 C ATOM 483 CE2 PHE A 45 2.423 3.490 -5.716 1.00 0.00 C ATOM 484 CZ PHE A 45 3.060 4.390 -6.538 1.00 0.00 C ATOM 0 H PHE A 45 4.667 4.976 -0.062 1.00 0.00 H new ATOM 0 HA PHE A 45 4.727 2.687 -1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.813 4.220 -1.791 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.863 5.603 -2.031 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.791 6.101 -4.255 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.146 2.808 -3.716 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.415 6.013 -6.665 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.749 2.758 -6.137 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.885 4.363 -7.603 1.00 0.00 H new ATOM 494 N ARG A 46 6.882 3.136 -3.062 1.00 0.00 N ATOM 495 CA ARG A 46 8.076 3.400 -3.912 1.00 0.00 C ATOM 496 C ARG A 46 7.808 3.021 -5.384 1.00 0.00 C ATOM 497 O ARG A 46 8.120 3.795 -6.292 1.00 0.00 O ATOM 498 CB ARG A 46 9.400 2.757 -3.355 1.00 0.00 C ATOM 499 CG ARG A 46 9.267 1.416 -2.589 1.00 0.00 C ATOM 500 CD ARG A 46 8.828 1.594 -1.118 1.00 0.00 C ATOM 501 NE ARG A 46 9.667 2.583 -0.404 1.00 0.00 N ATOM 502 CZ ARG A 46 10.676 2.308 0.447 1.00 0.00 C ATOM 503 NH1 ARG A 46 11.044 1.063 0.706 1.00 0.00 N ATOM 504 NH2 ARG A 46 11.332 3.305 1.017 1.00 0.00 N ATOM 0 H ARG A 46 6.624 2.151 -2.999 1.00 0.00 H new ATOM 0 HA ARG A 46 8.249 4.475 -3.874 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.079 2.602 -4.193 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.874 3.480 -2.691 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.544 0.782 -3.103 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.224 0.894 -2.615 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.786 1.913 -1.087 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.883 0.634 -0.605 1.00 0.00 H new ATOM 0 HE ARG A 46 9.462 3.568 -0.572 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.561 0.285 0.258 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.811 0.882 1.354 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.073 4.270 0.811 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.097 3.109 1.662 1.00 0.00 H new ATOM 518 N GLN A 47 7.213 1.832 -5.617 1.00 0.00 N ATOM 519 CA GLN A 47 6.947 1.316 -6.986 1.00 0.00 C ATOM 520 C GLN A 47 5.464 0.935 -7.127 1.00 0.00 C ATOM 521 O GLN A 47 4.767 0.762 -6.121 1.00 0.00 O ATOM 522 CB GLN A 47 7.879 0.112 -7.345 1.00 0.00 C ATOM 523 CG GLN A 47 7.684 -1.190 -6.527 1.00 0.00 C ATOM 524 CD GLN A 47 8.110 -1.093 -5.056 1.00 0.00 C ATOM 525 OE1 GLN A 47 7.182 -0.712 -4.182 1.00 0.00 O flip ATOM 526 NE2 GLN A 47 9.260 -1.347 -4.712 1.00 0.00 N flip ATOM 0 H GLN A 47 6.905 1.205 -4.874 1.00 0.00 H new ATOM 0 HA GLN A 47 7.172 2.111 -7.697 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.737 -0.125 -8.400 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.913 0.436 -7.227 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.633 -1.475 -6.569 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.250 -1.990 -7.003 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.948 -1.637 -5.407 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.528 -1.269 -3.731 1.00 0.00 H new ATOM 535 N SER A 48 5.010 0.783 -8.388 1.00 0.00 N ATOM 536 CA SER A 48 3.581 0.676 -8.733 1.00 0.00 C ATOM 537 C SER A 48 3.346 -0.200 -9.967 1.00 0.00 C ATOM 538 O SER A 48 4.285 -0.547 -10.695 1.00 0.00 O ATOM 539 CB SER A 48 3.033 2.087 -9.033 1.00 0.00 C ATOM 540 OG SER A 48 1.649 2.070 -9.329 1.00 0.00 O ATOM 0 H SER A 48 5.628 0.731 -9.198 1.00 0.00 H new ATOM 0 HA SER A 48 3.071 0.217 -7.886 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.212 2.735 -8.175 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.578 2.515 -9.874 1.00 0.00 H new ATOM 0 HG SER A 48 1.160 1.666 -8.582 1.00 0.00 H new ATOM 546 N ASN A 49 2.059 -0.527 -10.179 1.00 0.00 N ATOM 547 CA ASN A 49 1.538 -1.060 -11.439 1.00 0.00 C ATOM 548 C ASN A 49 0.202 -0.333 -11.694 1.00 0.00 C ATOM 549 O ASN A 49 -0.729 -0.451 -10.888 1.00 0.00 O ATOM 550 CB ASN A 49 1.309 -2.598 -11.354 1.00 0.00 C ATOM 551 CG ASN A 49 2.483 -3.379 -10.762 1.00 0.00 C ATOM 552 OD1 ASN A 49 2.454 -3.597 -9.454 1.00 0.00 O flip ATOM 553 ND2 ASN A 49 3.396 -3.794 -11.467 1.00 0.00 N flip ATOM 0 H ASN A 49 1.342 -0.424 -9.461 1.00 0.00 H new ATOM 0 HA ASN A 49 2.248 -0.896 -12.249 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.421 -2.788 -10.751 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.103 -2.978 -12.354 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.390 -3.610 -12.470 1.00 0.00 H new ATOM 0 HD22 ASN A 49 4.162 -4.323 -11.050 1.00 0.00 H new ATOM 560 N ASN A 50 0.111 0.412 -12.806 1.00 0.00 N ATOM 561 CA ASN A 50 -1.076 1.249 -13.126 1.00 0.00 C ATOM 562 C ASN A 50 -2.126 0.465 -13.939 1.00 0.00 C ATOM 563 O ASN A 50 -3.204 0.989 -14.246 1.00 0.00 O ATOM 564 CB ASN A 50 -0.626 2.521 -13.890 1.00 0.00 C ATOM 565 CG ASN A 50 0.152 3.503 -13.011 1.00 0.00 C ATOM 566 OD1 ASN A 50 -0.410 4.456 -12.478 1.00 0.00 O ATOM 567 ND2 ASN A 50 1.438 3.248 -12.806 1.00 0.00 N ATOM 0 H ASN A 50 0.848 0.458 -13.510 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.550 1.541 -12.189 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.005 2.229 -14.737 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.504 3.023 -14.297 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.986 3.851 -12.192 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.879 2.449 -13.262 1.00 0.00 H new ATOM 574 N GLY A 51 -1.780 -0.785 -14.290 1.00 0.00 N ATOM 575 CA GLY A 51 -2.683 -1.704 -14.980 1.00 0.00 C ATOM 576 C GLY A 51 -2.978 -2.951 -14.147 1.00 0.00 C ATOM 577 O GLY A 51 -4.022 -3.590 -14.321 1.00 0.00 O ATOM 0 H GLY A 51 -0.860 -1.182 -14.099 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.617 -1.191 -15.208 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.241 -2.000 -15.932 1.00 0.00 H new ATOM 581 N ILE A 52 -2.044 -3.301 -13.236 1.00 0.00 N ATOM 582 CA ILE A 52 -2.164 -4.488 -12.361 1.00 0.00 C ATOM 583 C ILE A 52 -2.537 -3.985 -10.936 1.00 0.00 C ATOM 584 O ILE A 52 -1.763 -3.216 -10.349 1.00 0.00 O ATOM 585 CB ILE A 52 -0.812 -5.319 -12.307 1.00 0.00 C ATOM 586 CG1 ILE A 52 -0.095 -5.380 -13.702 1.00 0.00 C ATOM 587 CG2 ILE A 52 -1.037 -6.751 -11.772 1.00 0.00 C ATOM 588 CD1 ILE A 52 -0.861 -6.094 -14.811 1.00 0.00 C ATOM 0 H ILE A 52 -1.186 -2.769 -13.087 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.931 -5.154 -12.757 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.162 -4.787 -11.613 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.112 -4.361 -14.028 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.867 -5.876 -13.574 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.087 -7.285 -11.751 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.448 -6.702 -10.764 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.735 -7.277 -12.423 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.273 -6.076 -15.729 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.046 -7.128 -14.518 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.812 -5.589 -14.980 1.00 0.00 H new ATOM 600 N PRO A 53 -3.722 -4.379 -10.369 1.00 0.00 N ATOM 601 CA PRO A 53 -4.215 -3.820 -9.080 1.00 0.00 C ATOM 602 C PRO A 53 -3.333 -4.040 -7.787 1.00 0.00 C ATOM 603 O PRO A 53 -3.434 -3.207 -6.873 1.00 0.00 O ATOM 604 CB PRO A 53 -5.639 -4.422 -8.930 1.00 0.00 C ATOM 605 CG PRO A 53 -5.640 -5.640 -9.807 1.00 0.00 C ATOM 606 CD PRO A 53 -4.706 -5.328 -10.958 1.00 0.00 C ATOM 0 HA PRO A 53 -4.182 -2.732 -9.139 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.850 -4.682 -7.893 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -6.403 -3.710 -9.242 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.301 -6.517 -9.256 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -6.645 -5.859 -10.168 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.219 -6.228 -11.333 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.240 -4.881 -11.797 1.00 0.00 H new ATOM 614 N PRO A 54 -2.502 -5.132 -7.617 1.00 0.00 N ATOM 615 CA PRO A 54 -1.545 -5.200 -6.493 1.00 0.00 C ATOM 616 C PRO A 54 -0.344 -4.241 -6.678 1.00 0.00 C ATOM 617 O PRO A 54 0.518 -4.452 -7.540 1.00 0.00 O ATOM 618 CB PRO A 54 -1.110 -6.686 -6.462 1.00 0.00 C ATOM 619 CG PRO A 54 -1.291 -7.154 -7.869 1.00 0.00 C ATOM 620 CD PRO A 54 -2.483 -6.393 -8.400 1.00 0.00 C ATOM 0 HA PRO A 54 -1.992 -4.878 -5.552 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.074 -6.790 -6.138 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -1.721 -7.265 -5.769 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.401 -6.955 -8.466 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.465 -8.229 -7.905 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.384 -6.195 -9.467 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.406 -6.957 -8.265 1.00 0.00 H new ATOM 628 N VAL A 55 -0.345 -3.147 -5.900 1.00 0.00 N ATOM 629 CA VAL A 55 0.816 -2.256 -5.761 1.00 0.00 C ATOM 630 C VAL A 55 1.744 -2.785 -4.655 1.00 0.00 C ATOM 631 O VAL A 55 1.288 -3.384 -3.677 1.00 0.00 O ATOM 632 CB VAL A 55 0.397 -0.776 -5.438 1.00 0.00 C ATOM 633 CG1 VAL A 55 -0.398 -0.662 -4.116 1.00 0.00 C ATOM 634 CG2 VAL A 55 1.628 0.157 -5.415 1.00 0.00 C ATOM 0 H VAL A 55 -1.153 -2.856 -5.349 1.00 0.00 H new ATOM 0 HA VAL A 55 1.338 -2.246 -6.718 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.267 -0.457 -6.241 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.663 0.380 -3.940 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.306 -1.261 -4.185 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.214 -1.025 -3.291 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.309 1.175 -5.189 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.327 -0.182 -4.651 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.117 0.138 -6.389 1.00 0.00 H new ATOM 644 N GLN A 56 3.053 -2.586 -4.842 1.00 0.00 N ATOM 645 CA GLN A 56 4.058 -2.970 -3.857 1.00 0.00 C ATOM 646 C GLN A 56 4.312 -1.760 -2.937 1.00 0.00 C ATOM 647 O GLN A 56 4.535 -0.638 -3.411 1.00 0.00 O ATOM 648 CB GLN A 56 5.367 -3.443 -4.554 1.00 0.00 C ATOM 649 CG GLN A 56 5.266 -4.740 -5.392 1.00 0.00 C ATOM 650 CD GLN A 56 4.379 -4.631 -6.641 1.00 0.00 C ATOM 651 OE1 GLN A 56 3.102 -4.964 -6.499 1.00 0.00 O flip ATOM 652 NE2 GLN A 56 4.834 -4.238 -7.712 1.00 0.00 N flip ATOM 0 H GLN A 56 3.441 -2.154 -5.681 1.00 0.00 H new ATOM 0 HA GLN A 56 3.700 -3.811 -3.263 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.717 -2.642 -5.204 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.129 -3.588 -3.788 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.269 -5.036 -5.700 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.879 -5.537 -4.757 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.821 -3.990 -7.787 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.225 -4.159 -8.527 1.00 0.00 H new ATOM 661 N VAL A 57 4.224 -1.990 -1.624 1.00 0.00 N ATOM 662 CA VAL A 57 4.461 -0.967 -0.581 1.00 0.00 C ATOM 663 C VAL A 57 5.275 -1.601 0.542 1.00 0.00 C ATOM 664 O VAL A 57 5.006 -2.740 0.934 1.00 0.00 O ATOM 665 CB VAL A 57 3.113 -0.357 0.004 1.00 0.00 C ATOM 666 CG1 VAL A 57 2.796 1.025 -0.597 1.00 0.00 C ATOM 667 CG2 VAL A 57 1.930 -1.317 -0.207 1.00 0.00 C ATOM 0 H VAL A 57 3.983 -2.904 -1.241 1.00 0.00 H new ATOM 0 HA VAL A 57 5.003 -0.139 -1.038 1.00 0.00 H new ATOM 0 HB VAL A 57 3.266 -0.225 1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.868 1.403 -0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.608 1.716 -0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.688 0.936 -1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.023 -0.873 0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.795 -1.499 -1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.133 -2.261 0.299 1.00 0.00 H new ATOM 677 N PHE A 58 6.285 -0.869 1.035 1.00 0.00 N ATOM 678 CA PHE A 58 7.182 -1.352 2.096 1.00 0.00 C ATOM 679 C PHE A 58 6.508 -1.149 3.456 1.00 0.00 C ATOM 680 O PHE A 58 6.378 -0.018 3.921 1.00 0.00 O ATOM 681 CB PHE A 58 8.541 -0.614 2.033 1.00 0.00 C ATOM 682 CG PHE A 58 9.581 -1.116 3.037 1.00 0.00 C ATOM 683 CD1 PHE A 58 10.359 -2.238 2.755 1.00 0.00 C ATOM 684 CD2 PHE A 58 9.774 -0.474 4.265 1.00 0.00 C ATOM 685 CE1 PHE A 58 11.294 -2.700 3.664 1.00 0.00 C ATOM 686 CE2 PHE A 58 10.705 -0.938 5.170 1.00 0.00 C ATOM 687 CZ PHE A 58 11.466 -2.051 4.870 1.00 0.00 C ATOM 0 H PHE A 58 6.503 0.073 0.710 1.00 0.00 H new ATOM 0 HA PHE A 58 7.377 -2.415 1.953 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.948 -0.713 1.027 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.372 0.449 2.205 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.230 -2.753 1.815 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.185 0.398 4.508 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.890 -3.570 3.430 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.839 -0.431 6.114 1.00 0.00 H new ATOM 0 HZ PHE A 58 12.196 -2.413 5.579 1.00 0.00 H new ATOM 697 N TRP A 59 6.091 -2.255 4.075 1.00 0.00 N ATOM 698 CA TRP A 59 5.381 -2.257 5.360 1.00 0.00 C ATOM 699 C TRP A 59 6.356 -2.420 6.518 1.00 0.00 C ATOM 700 O TRP A 59 7.203 -3.318 6.497 1.00 0.00 O ATOM 701 CB TRP A 59 4.333 -3.389 5.380 1.00 0.00 C ATOM 702 CG TRP A 59 3.294 -3.214 4.314 1.00 0.00 C ATOM 703 CD1 TRP A 59 3.207 -3.875 3.124 1.00 0.00 C ATOM 704 CD2 TRP A 59 2.230 -2.266 4.335 1.00 0.00 C ATOM 705 NE1 TRP A 59 2.134 -3.409 2.417 1.00 0.00 N ATOM 706 CE2 TRP A 59 1.521 -2.414 3.142 1.00 0.00 C ATOM 707 CE3 TRP A 59 1.809 -1.309 5.259 1.00 0.00 C ATOM 708 CZ2 TRP A 59 0.409 -1.635 2.847 1.00 0.00 C ATOM 709 CZ3 TRP A 59 0.712 -0.537 4.962 1.00 0.00 C ATOM 710 CH2 TRP A 59 0.021 -0.702 3.764 1.00 0.00 C ATOM 0 H TRP A 59 6.238 -3.190 3.694 1.00 0.00 H new ATOM 0 HA TRP A 59 4.874 -1.299 5.476 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.833 -4.348 5.244 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.849 -3.417 6.356 1.00 0.00 H new ATOM 0 HD1 TRP A 59 3.883 -4.649 2.791 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.836 -3.745 1.501 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.337 -1.177 6.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.131 -1.764 1.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 0.380 0.209 5.669 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -0.837 -0.080 3.557 1.00 0.00 H new ATOM 721 N GLN A 60 6.213 -1.544 7.523 1.00 0.00 N ATOM 722 CA GLN A 60 6.951 -1.644 8.796 1.00 0.00 C ATOM 723 C GLN A 60 6.560 -2.936 9.554 1.00 0.00 C ATOM 724 O GLN A 60 7.354 -3.475 10.324 1.00 0.00 O ATOM 725 CB GLN A 60 6.647 -0.394 9.675 1.00 0.00 C ATOM 726 CG GLN A 60 5.174 -0.281 10.136 1.00 0.00 C ATOM 727 CD GLN A 60 4.904 0.912 11.043 1.00 0.00 C ATOM 728 OE1 GLN A 60 4.532 1.988 10.586 1.00 0.00 O ATOM 729 NE2 GLN A 60 5.125 0.731 12.331 1.00 0.00 N ATOM 0 H GLN A 60 5.582 -0.744 7.479 1.00 0.00 H new ATOM 0 HA GLN A 60 8.019 -1.684 8.581 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.290 -0.418 10.555 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.909 0.503 9.114 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.533 -0.210 9.258 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.896 -1.195 10.661 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.434 -0.179 12.673 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.987 1.501 12.985 1.00 0.00 H new ATOM 738 N SER A 61 5.320 -3.406 9.298 1.00 0.00 N ATOM 739 CA SER A 61 4.695 -4.532 10.010 1.00 0.00 C ATOM 740 C SER A 61 5.429 -5.860 9.749 1.00 0.00 C ATOM 741 O SER A 61 5.751 -6.606 10.681 1.00 0.00 O ATOM 742 CB SER A 61 3.224 -4.644 9.551 1.00 0.00 C ATOM 743 OG SER A 61 2.512 -5.622 10.286 1.00 0.00 O ATOM 0 H SER A 61 4.719 -3.004 8.578 1.00 0.00 H new ATOM 0 HA SER A 61 4.752 -4.341 11.082 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.734 -3.677 9.665 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.193 -4.894 8.490 1.00 0.00 H new ATOM 0 HG SER A 61 1.624 -5.276 10.516 1.00 0.00 H new ATOM 749 N THR A 62 5.717 -6.114 8.467 1.00 0.00 N ATOM 750 CA THR A 62 6.365 -7.350 7.998 1.00 0.00 C ATOM 751 C THR A 62 7.855 -7.091 7.678 1.00 0.00 C ATOM 752 O THR A 62 8.651 -8.033 7.543 1.00 0.00 O ATOM 753 CB THR A 62 5.602 -7.920 6.749 1.00 0.00 C ATOM 754 OG1 THR A 62 6.249 -9.101 6.252 1.00 0.00 O ATOM 755 CG2 THR A 62 5.467 -6.885 5.615 1.00 0.00 C ATOM 0 H THR A 62 5.505 -5.460 7.714 1.00 0.00 H new ATOM 0 HA THR A 62 6.321 -8.097 8.791 1.00 0.00 H new ATOM 0 HB THR A 62 4.597 -8.171 7.089 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.821 -9.381 5.416 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.932 -7.331 4.777 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.915 -6.018 5.978 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.459 -6.573 5.288 1.00 0.00 H new ATOM 763 N GLY A 63 8.219 -5.796 7.579 1.00 0.00 N ATOM 764 CA GLY A 63 9.596 -5.375 7.317 1.00 0.00 C ATOM 765 C GLY A 63 10.003 -5.491 5.856 1.00 0.00 C ATOM 766 O GLY A 63 11.196 -5.416 5.536 1.00 0.00 O ATOM 0 H GLY A 63 7.564 -5.021 7.679 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.718 -4.340 7.638 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.273 -5.978 7.923 1.00 0.00 H new ATOM 770 N ARG A 64 9.012 -5.668 4.962 1.00 0.00 N ATOM 771 CA ARG A 64 9.257 -5.907 3.533 1.00 0.00 C ATOM 772 C ARG A 64 8.104 -5.359 2.678 1.00 0.00 C ATOM 773 O ARG A 64 7.054 -4.956 3.197 1.00 0.00 O ATOM 774 CB ARG A 64 9.464 -7.429 3.303 1.00 0.00 C ATOM 775 CG ARG A 64 8.203 -8.300 3.530 1.00 0.00 C ATOM 776 CD ARG A 64 8.528 -9.789 3.723 1.00 0.00 C ATOM 777 NE ARG A 64 7.338 -10.655 3.578 1.00 0.00 N ATOM 778 CZ ARG A 64 7.350 -12.000 3.543 1.00 0.00 C ATOM 779 NH1 ARG A 64 8.489 -12.689 3.618 1.00 0.00 N ATOM 780 NH2 ARG A 64 6.208 -12.654 3.404 1.00 0.00 N ATOM 0 H ARG A 64 8.023 -5.649 5.212 1.00 0.00 H new ATOM 0 HA ARG A 64 10.158 -5.377 3.225 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.815 -7.583 2.283 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.254 -7.778 3.968 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.669 -7.934 4.407 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.533 -8.188 2.678 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.282 -10.090 2.996 1.00 0.00 H new ATOM 0 HD3 ARG A 64 8.962 -9.937 4.712 1.00 0.00 H new ATOM 0 HE ARG A 64 6.432 -10.194 3.498 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.378 -12.197 3.704 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.471 -13.708 3.589 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.331 -12.138 3.325 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.204 -13.674 3.376 1.00 0.00 H new ATOM 794 N THR A 65 8.325 -5.385 1.359 1.00 0.00 N ATOM 795 CA THR A 65 7.403 -4.869 0.354 1.00 0.00 C ATOM 796 C THR A 65 6.404 -5.980 -0.025 1.00 0.00 C ATOM 797 O THR A 65 6.823 -7.077 -0.416 1.00 0.00 O ATOM 798 CB THR A 65 8.224 -4.407 -0.916 1.00 0.00 C ATOM 799 OG1 THR A 65 9.576 -4.088 -0.539 1.00 0.00 O ATOM 800 CG2 THR A 65 7.618 -3.173 -1.576 1.00 0.00 C ATOM 0 H THR A 65 9.175 -5.778 0.955 1.00 0.00 H new ATOM 0 HA THR A 65 6.853 -4.014 0.747 1.00 0.00 H new ATOM 0 HB THR A 65 8.199 -5.235 -1.625 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.078 -3.804 -1.331 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.216 -2.893 -2.443 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.599 -3.394 -1.894 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.605 -2.348 -0.863 1.00 0.00 H new ATOM 808 N TYR A 66 5.091 -5.704 0.099 1.00 0.00 N ATOM 809 CA TYR A 66 4.050 -6.709 -0.185 1.00 0.00 C ATOM 810 C TYR A 66 3.006 -6.150 -1.161 1.00 0.00 C ATOM 811 O TYR A 66 2.793 -4.930 -1.245 1.00 0.00 O ATOM 812 CB TYR A 66 3.370 -7.193 1.129 1.00 0.00 C ATOM 813 CG TYR A 66 2.624 -8.540 0.992 1.00 0.00 C ATOM 814 CD1 TYR A 66 3.316 -9.688 0.594 1.00 0.00 C ATOM 815 CD2 TYR A 66 1.254 -8.674 1.256 1.00 0.00 C ATOM 816 CE1 TYR A 66 2.677 -10.907 0.465 1.00 0.00 C ATOM 817 CE2 TYR A 66 0.614 -9.898 1.125 1.00 0.00 C ATOM 818 CZ TYR A 66 1.331 -11.009 0.730 1.00 0.00 C ATOM 819 OH TYR A 66 0.700 -12.227 0.585 1.00 0.00 O ATOM 0 H TYR A 66 4.728 -4.797 0.393 1.00 0.00 H new ATOM 0 HA TYR A 66 4.531 -7.568 -0.653 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.129 -7.287 1.905 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.665 -6.432 1.463 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.373 -9.621 0.383 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.687 -7.809 1.567 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.234 -11.779 0.156 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.443 -9.981 1.332 1.00 0.00 H new ATOM 0 HH TYR A 66 1.337 -12.949 0.765 1.00 0.00 H new ATOM 829 N TRP A 67 2.365 -7.083 -1.879 1.00 0.00 N ATOM 830 CA TRP A 67 1.357 -6.802 -2.901 1.00 0.00 C ATOM 831 C TRP A 67 -0.004 -6.542 -2.231 1.00 0.00 C ATOM 832 O TRP A 67 -0.591 -7.458 -1.643 1.00 0.00 O ATOM 833 CB TRP A 67 1.265 -8.016 -3.872 1.00 0.00 C ATOM 834 CG TRP A 67 2.589 -8.419 -4.488 1.00 0.00 C ATOM 835 CD1 TRP A 67 3.160 -7.910 -5.614 1.00 0.00 C ATOM 836 CD2 TRP A 67 3.496 -9.430 -4.011 1.00 0.00 C ATOM 837 NE1 TRP A 67 4.368 -8.508 -5.850 1.00 0.00 N ATOM 838 CE2 TRP A 67 4.597 -9.445 -4.883 1.00 0.00 C ATOM 839 CE3 TRP A 67 3.487 -10.309 -2.926 1.00 0.00 C ATOM 840 CZ2 TRP A 67 5.677 -10.309 -4.709 1.00 0.00 C ATOM 841 CZ3 TRP A 67 4.557 -11.169 -2.750 1.00 0.00 C ATOM 842 CH2 TRP A 67 5.642 -11.159 -3.636 1.00 0.00 C ATOM 0 H TRP A 67 2.541 -8.080 -1.759 1.00 0.00 H new ATOM 0 HA TRP A 67 1.638 -5.913 -3.466 1.00 0.00 H new ATOM 0 HB2 TRP A 67 0.854 -8.869 -3.332 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.563 -7.776 -4.671 1.00 0.00 H new ATOM 0 HD1 TRP A 67 2.721 -7.142 -6.234 1.00 0.00 H new ATOM 0 HE1 TRP A 67 4.996 -8.289 -6.623 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.657 -10.318 -2.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 6.511 -10.308 -5.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 4.555 -11.857 -1.918 1.00 0.00 H new ATOM 0 HH2 TRP A 67 6.467 -11.835 -3.469 1.00 0.00 H new ATOM 853 N VAL A 68 -0.486 -5.283 -2.293 1.00 0.00 N ATOM 854 CA VAL A 68 -1.790 -4.887 -1.708 1.00 0.00 C ATOM 855 C VAL A 68 -2.647 -4.185 -2.772 1.00 0.00 C ATOM 856 O VAL A 68 -2.122 -3.658 -3.753 1.00 0.00 O ATOM 857 CB VAL A 68 -1.649 -3.973 -0.419 1.00 0.00 C ATOM 858 CG1 VAL A 68 -0.609 -4.551 0.576 1.00 0.00 C ATOM 859 CG2 VAL A 68 -1.346 -2.497 -0.775 1.00 0.00 C ATOM 0 H VAL A 68 0.011 -4.516 -2.746 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.281 -5.803 -1.380 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.618 -3.979 0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.538 -3.900 1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.921 -5.546 0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.364 -4.614 0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.259 -1.912 0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.410 -2.442 -1.331 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.155 -2.096 -1.385 1.00 0.00 H new ATOM 869 N HIS A 69 -3.964 -4.159 -2.544 1.00 0.00 N ATOM 870 CA HIS A 69 -4.943 -3.644 -3.513 1.00 0.00 C ATOM 871 C HIS A 69 -5.111 -2.120 -3.339 1.00 0.00 C ATOM 872 O HIS A 69 -5.026 -1.615 -2.216 1.00 0.00 O ATOM 873 CB HIS A 69 -6.295 -4.386 -3.308 1.00 0.00 C ATOM 874 CG HIS A 69 -7.231 -4.332 -4.485 1.00 0.00 C ATOM 875 ND1 HIS A 69 -8.161 -3.422 -4.859 1.00 0.00 N flip ATOM 876 CD2 HIS A 69 -7.270 -5.317 -5.444 1.00 0.00 C flip ATOM 877 CE1 HIS A 69 -8.727 -3.871 -6.025 1.00 0.00 C flip ATOM 878 NE2 HIS A 69 -8.164 -5.014 -6.352 1.00 0.00 N flip ATOM 0 H HIS A 69 -4.385 -4.496 -1.678 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.592 -3.825 -4.529 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -6.088 -5.430 -3.074 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.799 -3.959 -2.441 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.656 -6.206 -5.448 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -9.505 -3.370 -6.582 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -8.387 -5.572 -7.176 1.00 0.00 H new ATOM 887 N TRP A 70 -5.374 -1.403 -4.456 1.00 0.00 N ATOM 888 CA TRP A 70 -5.538 0.075 -4.452 1.00 0.00 C ATOM 889 C TRP A 70 -6.727 0.515 -3.570 1.00 0.00 C ATOM 890 O TRP A 70 -6.594 1.405 -2.731 1.00 0.00 O ATOM 891 CB TRP A 70 -5.744 0.611 -5.892 1.00 0.00 C ATOM 892 CG TRP A 70 -4.553 0.432 -6.804 1.00 0.00 C ATOM 893 CD1 TRP A 70 -4.422 -0.468 -7.821 1.00 0.00 C ATOM 894 CD2 TRP A 70 -3.330 1.187 -6.776 1.00 0.00 C ATOM 895 NE1 TRP A 70 -3.196 -0.337 -8.420 1.00 0.00 N ATOM 896 CE2 TRP A 70 -2.511 0.682 -7.804 1.00 0.00 C ATOM 897 CE3 TRP A 70 -2.855 2.244 -5.985 1.00 0.00 C ATOM 898 CZ2 TRP A 70 -1.242 1.193 -8.053 1.00 0.00 C ATOM 899 CZ3 TRP A 70 -1.594 2.750 -6.234 1.00 0.00 C ATOM 900 CH2 TRP A 70 -0.802 2.226 -7.262 1.00 0.00 C ATOM 0 H TRP A 70 -5.478 -1.825 -5.379 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.622 0.495 -4.035 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -6.603 0.107 -6.334 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -5.989 1.672 -5.840 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -5.177 -1.183 -8.113 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -2.850 -0.903 -9.195 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.465 2.655 -5.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.623 0.791 -8.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -1.215 3.560 -5.628 1.00 0.00 H new ATOM 0 HH2 TRP A 70 0.178 2.644 -7.437 1.00 0.00 H new ATOM 911 N HIS A 71 -7.887 -0.142 -3.767 1.00 0.00 N ATOM 912 CA HIS A 71 -9.145 0.181 -3.043 1.00 0.00 C ATOM 913 C HIS A 71 -9.058 -0.200 -1.543 1.00 0.00 C ATOM 914 O HIS A 71 -9.903 0.194 -0.743 1.00 0.00 O ATOM 915 CB HIS A 71 -10.331 -0.539 -3.745 1.00 0.00 C ATOM 916 CG HIS A 71 -11.703 -0.151 -3.241 1.00 0.00 C ATOM 917 ND1 HIS A 71 -12.467 -0.951 -2.425 1.00 0.00 N ATOM 918 CD2 HIS A 71 -12.442 0.965 -3.453 1.00 0.00 C ATOM 919 CE1 HIS A 71 -13.609 -0.346 -2.159 1.00 0.00 C ATOM 920 NE2 HIS A 71 -13.619 0.815 -2.769 1.00 0.00 N ATOM 0 H HIS A 71 -7.984 -0.911 -4.430 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.307 1.258 -3.077 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -10.281 -0.331 -4.814 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -10.207 -1.615 -3.623 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -12.155 1.817 -4.052 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -14.403 -0.741 -1.542 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -14.379 1.495 -2.739 1.00 0.00 H new ATOM 929 N MET A 72 -8.010 -0.954 -1.180 1.00 0.00 N ATOM 930 CA MET A 72 -7.770 -1.436 0.195 1.00 0.00 C ATOM 931 C MET A 72 -6.500 -0.785 0.791 1.00 0.00 C ATOM 932 O MET A 72 -6.029 -1.181 1.869 1.00 0.00 O ATOM 933 CB MET A 72 -7.667 -2.986 0.134 1.00 0.00 C ATOM 934 CG MET A 72 -8.977 -3.672 -0.322 1.00 0.00 C ATOM 935 SD MET A 72 -8.720 -5.240 -1.191 1.00 0.00 S ATOM 936 CE MET A 72 -7.793 -6.183 0.007 1.00 0.00 C ATOM 0 H MET A 72 -7.293 -1.252 -1.841 1.00 0.00 H new ATOM 0 HA MET A 72 -8.589 -1.154 0.856 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.864 -3.263 -0.549 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.392 -3.363 1.119 1.00 0.00 H new ATOM 0 HG2 MET A 72 -9.605 -3.850 0.551 1.00 0.00 H new ATOM 0 HG3 MET A 72 -9.524 -2.992 -0.975 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.343 -7.048 -0.480 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.008 -5.558 0.434 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.460 -6.520 0.800 1.00 0.00 H new ATOM 946 N LEU A 73 -5.970 0.230 0.077 1.00 0.00 N ATOM 947 CA LEU A 73 -4.818 1.032 0.511 1.00 0.00 C ATOM 948 C LEU A 73 -5.289 2.474 0.767 1.00 0.00 C ATOM 949 O LEU A 73 -5.825 3.126 -0.138 1.00 0.00 O ATOM 950 CB LEU A 73 -3.697 1.008 -0.572 1.00 0.00 C ATOM 951 CG LEU A 73 -2.362 1.713 -0.179 1.00 0.00 C ATOM 952 CD1 LEU A 73 -1.723 1.030 1.049 1.00 0.00 C ATOM 953 CD2 LEU A 73 -1.378 1.776 -1.373 1.00 0.00 C ATOM 0 H LEU A 73 -6.339 0.516 -0.830 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.405 0.613 1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.479 -0.031 -0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.082 1.478 -1.477 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.595 2.742 0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.793 1.538 1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.410 1.083 1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.514 -0.014 0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.460 2.274 -1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.147 0.765 -1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.834 2.334 -2.191 1.00 0.00 H new ATOM 965 N GLU A 74 -5.089 2.955 2.003 1.00 0.00 N ATOM 966 CA GLU A 74 -5.447 4.326 2.422 1.00 0.00 C ATOM 967 C GLU A 74 -4.182 5.165 2.604 1.00 0.00 C ATOM 968 O GLU A 74 -3.235 4.717 3.224 1.00 0.00 O ATOM 969 CB GLU A 74 -6.250 4.289 3.757 1.00 0.00 C ATOM 970 CG GLU A 74 -6.499 5.674 4.395 1.00 0.00 C ATOM 971 CD GLU A 74 -7.306 5.608 5.705 1.00 0.00 C ATOM 972 OE1 GLU A 74 -6.753 5.152 6.731 1.00 0.00 O ATOM 973 OE2 GLU A 74 -8.489 6.022 5.717 1.00 0.00 O ATOM 0 H GLU A 74 -4.670 2.401 2.750 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.067 4.777 1.647 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.212 3.809 3.574 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -5.713 3.665 4.472 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.540 6.153 4.592 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.030 6.304 3.681 1.00 0.00 H new ATOM 980 N ILE A 75 -4.150 6.378 2.051 1.00 0.00 N ATOM 981 CA ILE A 75 -3.044 7.325 2.306 1.00 0.00 C ATOM 982 C ILE A 75 -3.535 8.544 3.101 1.00 0.00 C ATOM 983 O ILE A 75 -4.598 9.098 2.820 1.00 0.00 O ATOM 984 CB ILE A 75 -2.334 7.783 0.983 1.00 0.00 C ATOM 985 CG1 ILE A 75 -3.340 8.465 -0.001 1.00 0.00 C ATOM 986 CG2 ILE A 75 -1.630 6.579 0.322 1.00 0.00 C ATOM 987 CD1 ILE A 75 -2.726 8.946 -1.304 1.00 0.00 C ATOM 0 H ILE A 75 -4.871 6.735 1.424 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.305 6.791 2.903 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.582 8.531 1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.138 7.759 -0.230 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.801 9.314 0.503 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.139 6.903 -0.596 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.886 6.171 1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.367 5.811 0.087 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.498 9.405 -1.922 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.948 9.679 -1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.291 8.100 -1.835 1.00 0.00 H new ATOM 999 N LEU A 76 -2.757 8.922 4.124 1.00 0.00 N ATOM 1000 CA LEU A 76 -2.922 10.198 4.850 1.00 0.00 C ATOM 1001 C LEU A 76 -1.913 11.238 4.304 1.00 0.00 C ATOM 1002 O LEU A 76 -1.799 12.339 4.851 1.00 0.00 O ATOM 1003 CB LEU A 76 -2.728 9.989 6.387 1.00 0.00 C ATOM 1004 CG LEU A 76 -3.868 9.250 7.171 1.00 0.00 C ATOM 1005 CD1 LEU A 76 -5.201 10.003 7.051 1.00 0.00 C ATOM 1006 CD2 LEU A 76 -4.010 7.772 6.749 1.00 0.00 C ATOM 0 H LEU A 76 -1.989 8.351 4.477 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.934 10.570 4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.803 9.432 6.536 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.587 10.969 6.844 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.580 9.245 8.222 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.972 9.467 7.604 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.090 11.007 7.462 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.488 10.070 6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.812 7.306 7.321 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.244 7.718 5.686 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.074 7.247 6.942 1.00 0.00 H new ATOM 1018 N GLY A 77 -1.215 10.859 3.199 1.00 0.00 N ATOM 1019 CA GLY A 77 -0.216 11.699 2.521 1.00 0.00 C ATOM 1020 C GLY A 77 -0.695 13.133 2.249 1.00 0.00 C ATOM 1021 O GLY A 77 -0.062 14.087 2.724 1.00 0.00 O ATOM 0 H GLY A 77 -1.339 9.948 2.757 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.687 11.737 3.130 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.057 11.231 1.575 1.00 0.00 H new TER 1025 GLY A 77