USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 592 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 13 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 41 GLN : amide:sc= 0.448 K(o=0.45,f=-4.7!) USER MOD Set 2.1: A 14 CYS SG : rot 180:sc= 0.459 USER MOD Set 2.2: A 17 CYS SG : rot 70:sc= 0.685 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 148:sc= 1.15 (180deg=0) USER MOD Set 3.2: A 44 THR OG1 : rot 85:sc= 1.65 USER MOD Single : A 7 MET CE :methyl 147:sc= -0.0236 (180deg=-0.75) USER MOD Single : A 8 LYS NZ :NH3+ -114:sc= 0.614 (180deg=-1.6!) USER MOD Single : A 12 MET CE :methyl -162:sc= -0.32 (180deg=-0.428) USER MOD Single : A 15 HIS : no HE2:sc= 0.63 K(o=0.63,f=-2.4!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -101:sc= 0.687 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 79:sc= 0.205 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.00082) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.682 K(o=0.68,f=-0.047) USER MOD Single : A 47 TYR OH : rot 30:sc= -1.14 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 50 HIS : no HD1:sc= -0.313 X(o=-0.31,f=-0.018) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 153:sc= -0.428 (180deg=-1.98) USER MOD Single : A 58 LYS NZ :NH3+ -160:sc= 1.21 (180deg=0.953) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.657 K(o=-0.66,f=-2.1) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N GLU A 2 2.176 0.866 14.307 1.00 0.00 N ATOM 11 CA GLU A 2 1.423 0.902 13.073 1.00 0.00 C ATOM 12 C GLU A 2 1.127 -0.530 12.616 1.00 0.00 C ATOM 13 O GLU A 2 1.490 -1.490 13.293 1.00 0.00 O ATOM 14 CB GLU A 2 2.275 1.669 12.049 1.00 0.00 C ATOM 15 CG GLU A 2 2.483 3.152 12.412 1.00 0.00 C ATOM 16 CD GLU A 2 3.186 3.438 13.736 1.00 0.00 C ATOM 17 OE1 GLU A 2 4.090 2.646 14.091 1.00 0.00 O ATOM 18 OE2 GLU A 2 2.766 4.411 14.396 1.00 0.00 O ATOM 0 HA GLU A 2 0.463 1.404 13.194 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.247 1.185 11.961 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.798 1.606 11.071 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.057 3.621 11.613 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.508 3.638 12.432 1.00 0.00 H new ATOM 25 N VAL A 3 0.465 -0.680 11.466 1.00 0.00 N ATOM 26 CA VAL A 3 0.171 -1.975 10.880 1.00 0.00 C ATOM 27 C VAL A 3 0.669 -1.981 9.439 1.00 0.00 C ATOM 28 O VAL A 3 0.472 -1.022 8.691 1.00 0.00 O ATOM 29 CB VAL A 3 -1.330 -2.265 10.978 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.708 -3.570 10.276 1.00 0.00 C ATOM 31 CG2 VAL A 3 -1.760 -2.371 12.447 1.00 0.00 C ATOM 0 H VAL A 3 0.118 0.106 10.916 1.00 0.00 H new ATOM 0 HA VAL A 3 0.683 -2.769 11.423 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.841 -1.437 10.487 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.781 -3.736 10.370 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.442 -3.506 9.221 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.171 -4.399 10.736 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.829 -2.577 12.499 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.211 -3.179 12.930 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.546 -1.432 12.957 1.00 0.00 H new ATOM 41 N VAL A 4 1.319 -3.088 9.080 1.00 0.00 N ATOM 42 CA VAL A 4 1.801 -3.409 7.750 1.00 0.00 C ATOM 43 C VAL A 4 0.683 -4.152 7.019 1.00 0.00 C ATOM 44 O VAL A 4 0.116 -5.093 7.572 1.00 0.00 O ATOM 45 CB VAL A 4 3.118 -4.219 7.857 1.00 0.00 C ATOM 46 CG1 VAL A 4 3.031 -5.638 7.291 1.00 0.00 C ATOM 47 CG2 VAL A 4 4.244 -3.510 7.108 1.00 0.00 C ATOM 0 H VAL A 4 1.532 -3.823 9.754 1.00 0.00 H new ATOM 0 HA VAL A 4 2.044 -2.516 7.174 1.00 0.00 H new ATOM 0 HB VAL A 4 3.313 -4.288 8.927 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.994 -6.135 7.405 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.267 -6.198 7.830 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.769 -5.593 6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.161 -4.093 7.194 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.975 -3.410 6.057 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.401 -2.521 7.538 1.00 0.00 H new ATOM 57 N LEU A 5 0.392 -3.748 5.783 1.00 0.00 N ATOM 58 CA LEU A 5 -0.419 -4.502 4.845 1.00 0.00 C ATOM 59 C LEU A 5 0.491 -4.934 3.702 1.00 0.00 C ATOM 60 O LEU A 5 1.272 -4.110 3.218 1.00 0.00 O ATOM 61 CB LEU A 5 -1.574 -3.647 4.311 1.00 0.00 C ATOM 62 CG LEU A 5 -2.871 -3.764 5.123 1.00 0.00 C ATOM 63 CD1 LEU A 5 -3.427 -5.194 5.147 1.00 0.00 C ATOM 64 CD2 LEU A 5 -2.713 -3.268 6.563 1.00 0.00 C ATOM 0 H LEU A 5 0.726 -2.863 5.402 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.859 -5.369 5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.261 -2.603 4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.777 -3.934 3.279 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.581 -3.119 4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.344 -5.218 5.735 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.640 -5.519 4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.692 -5.863 5.594 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.661 -3.374 7.090 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.948 -3.857 7.069 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.417 -2.219 6.556 1.00 0.00 H new ATOM 76 N LYS A 6 0.394 -6.200 3.271 1.00 0.00 N ATOM 77 CA LYS A 6 1.089 -6.696 2.094 1.00 0.00 C ATOM 78 C LYS A 6 0.038 -7.004 1.030 1.00 0.00 C ATOM 79 O LYS A 6 -0.881 -7.794 1.269 1.00 0.00 O ATOM 80 CB LYS A 6 1.920 -7.941 2.442 1.00 0.00 C ATOM 81 CG LYS A 6 3.237 -8.011 1.665 1.00 0.00 C ATOM 82 CD LYS A 6 4.310 -7.145 2.337 1.00 0.00 C ATOM 83 CE LYS A 6 5.655 -7.346 1.625 1.00 0.00 C ATOM 84 NZ LYS A 6 6.728 -6.501 2.180 1.00 0.00 N ATOM 0 H LYS A 6 -0.175 -6.906 3.738 1.00 0.00 H new ATOM 0 HA LYS A 6 1.786 -5.948 1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.133 -7.943 3.511 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.332 -8.835 2.233 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.578 -9.045 1.611 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.079 -7.673 0.641 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.020 -6.095 2.299 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.401 -7.413 3.390 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.948 -8.393 1.701 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.536 -7.124 0.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.638 -6.997 2.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.772 -5.606 1.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.531 -6.303 3.182 1.00 0.00 H new ATOM 98 N MET A 7 0.171 -6.362 -0.130 1.00 0.00 N ATOM 99 CA MET A 7 -0.703 -6.514 -1.267 1.00 0.00 C ATOM 100 C MET A 7 0.113 -6.926 -2.485 1.00 0.00 C ATOM 101 O MET A 7 1.021 -6.204 -2.882 1.00 0.00 O ATOM 102 CB MET A 7 -1.493 -5.222 -1.497 1.00 0.00 C ATOM 103 CG MET A 7 -0.758 -3.938 -1.115 1.00 0.00 C ATOM 104 SD MET A 7 -1.578 -2.367 -1.482 1.00 0.00 S ATOM 105 CE MET A 7 -2.810 -2.287 -0.161 1.00 0.00 C ATOM 0 H MET A 7 0.926 -5.697 -0.299 1.00 0.00 H new ATOM 0 HA MET A 7 -1.431 -7.303 -1.079 1.00 0.00 H new ATOM 0 HB2 MET A 7 -1.769 -5.165 -2.550 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.421 -5.275 -0.927 1.00 0.00 H new ATOM 0 HG2 MET A 7 -0.557 -3.971 -0.044 1.00 0.00 H new ATOM 0 HG3 MET A 7 0.208 -3.940 -1.620 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.970 -1.247 0.125 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.749 -2.715 -0.513 1.00 0.00 H new ATOM 0 HE3 MET A 7 -2.455 -2.850 0.702 1.00 0.00 H new ATOM 115 N LYS A 8 -0.192 -8.083 -3.076 1.00 0.00 N ATOM 116 CA LYS A 8 0.466 -8.466 -4.324 1.00 0.00 C ATOM 117 C LYS A 8 -0.059 -7.569 -5.427 1.00 0.00 C ATOM 118 O LYS A 8 -1.267 -7.383 -5.481 1.00 0.00 O ATOM 119 CB LYS A 8 0.214 -9.921 -4.711 1.00 0.00 C ATOM 120 CG LYS A 8 0.977 -10.885 -3.814 1.00 0.00 C ATOM 121 CD LYS A 8 0.229 -11.217 -2.519 1.00 0.00 C ATOM 122 CE LYS A 8 0.818 -12.483 -1.883 1.00 0.00 C ATOM 123 NZ LYS A 8 2.170 -12.253 -1.339 1.00 0.00 N ATOM 0 H LYS A 8 -0.872 -8.755 -2.721 1.00 0.00 H new ATOM 0 HA LYS A 8 1.541 -8.355 -4.181 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.853 -10.134 -4.649 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.510 -10.078 -5.748 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.170 -11.807 -4.362 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.946 -10.452 -3.566 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.303 -10.382 -1.822 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.830 -11.364 -2.729 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.160 -12.827 -1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.858 -13.278 -2.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.862 -12.809 -1.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.406 -11.243 -1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.197 -12.545 -0.341 1.00 0.00 H new ATOM 137 N VAL A 9 0.804 -7.026 -6.282 1.00 0.00 N ATOM 138 CA VAL A 9 0.392 -6.174 -7.383 1.00 0.00 C ATOM 139 C VAL A 9 0.783 -6.869 -8.678 1.00 0.00 C ATOM 140 O VAL A 9 1.766 -7.600 -8.701 1.00 0.00 O ATOM 141 CB VAL A 9 1.040 -4.787 -7.252 1.00 0.00 C ATOM 142 CG1 VAL A 9 0.388 -4.012 -6.102 1.00 0.00 C ATOM 143 CG2 VAL A 9 2.555 -4.870 -7.038 1.00 0.00 C ATOM 0 H VAL A 9 1.812 -7.168 -6.226 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.686 -6.016 -7.374 1.00 0.00 H new ATOM 0 HB VAL A 9 0.875 -4.260 -8.192 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.853 -3.030 -6.016 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.677 -3.893 -6.301 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.524 -4.561 -5.170 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.966 -3.864 -6.951 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.763 -5.427 -6.125 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.015 -5.378 -7.886 1.00 0.00 H new ATOM 153 N GLU A 10 0.027 -6.630 -9.746 1.00 0.00 N ATOM 154 CA GLU A 10 0.333 -7.147 -11.069 1.00 0.00 C ATOM 155 C GLU A 10 0.671 -5.959 -11.968 1.00 0.00 C ATOM 156 O GLU A 10 0.178 -4.850 -11.752 1.00 0.00 O ATOM 157 CB GLU A 10 -0.865 -7.928 -11.624 1.00 0.00 C ATOM 158 CG GLU A 10 -1.330 -9.061 -10.692 1.00 0.00 C ATOM 159 CD GLU A 10 -0.320 -10.196 -10.565 1.00 0.00 C ATOM 160 OE1 GLU A 10 0.323 -10.504 -11.592 1.00 0.00 O ATOM 161 OE2 GLU A 10 -0.243 -10.761 -9.452 1.00 0.00 O ATOM 0 H GLU A 10 -0.822 -6.066 -9.713 1.00 0.00 H new ATOM 0 HA GLU A 10 1.179 -7.833 -11.025 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.694 -7.240 -11.792 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.599 -8.349 -12.594 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.528 -8.649 -9.703 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.272 -9.463 -11.064 1.00 0.00 H new ATOM 168 N GLY A 11 1.523 -6.166 -12.968 1.00 0.00 N ATOM 169 CA GLY A 11 1.774 -5.191 -14.020 1.00 0.00 C ATOM 170 C GLY A 11 2.764 -4.097 -13.615 1.00 0.00 C ATOM 171 O GLY A 11 3.523 -3.623 -14.459 1.00 0.00 O ATOM 0 H GLY A 11 2.063 -7.025 -13.070 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.156 -5.708 -14.900 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.830 -4.728 -14.308 1.00 0.00 H new ATOM 175 N MET A 12 2.758 -3.664 -12.348 1.00 0.00 N ATOM 176 CA MET A 12 3.694 -2.651 -11.873 1.00 0.00 C ATOM 177 C MET A 12 5.138 -3.161 -11.899 1.00 0.00 C ATOM 178 O MET A 12 5.674 -3.632 -10.898 1.00 0.00 O ATOM 179 CB MET A 12 3.315 -2.124 -10.486 1.00 0.00 C ATOM 180 CG MET A 12 2.090 -1.204 -10.540 1.00 0.00 C ATOM 181 SD MET A 12 1.931 -0.030 -9.166 1.00 0.00 S ATOM 182 CE MET A 12 1.503 -1.138 -7.815 1.00 0.00 C ATOM 0 H MET A 12 2.112 -4.004 -11.636 1.00 0.00 H new ATOM 0 HA MET A 12 3.628 -1.811 -12.565 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.110 -2.964 -9.822 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.159 -1.581 -10.061 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.121 -0.642 -11.473 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.194 -1.823 -10.571 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.066 -0.564 -6.998 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.782 -1.877 -8.165 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.401 -1.646 -7.462 1.00 0.00 H new ATOM 192 N THR A 13 5.767 -3.018 -13.061 1.00 0.00 N ATOM 193 CA THR A 13 7.151 -3.349 -13.333 1.00 0.00 C ATOM 194 C THR A 13 7.873 -2.100 -13.856 1.00 0.00 C ATOM 195 O THR A 13 8.545 -2.150 -14.885 1.00 0.00 O ATOM 196 CB THR A 13 7.177 -4.527 -14.318 1.00 0.00 C ATOM 197 OG1 THR A 13 6.247 -5.515 -13.917 1.00 0.00 O ATOM 198 CG2 THR A 13 8.553 -5.187 -14.401 1.00 0.00 C ATOM 0 H THR A 13 5.291 -2.646 -13.883 1.00 0.00 H new ATOM 0 HA THR A 13 7.681 -3.661 -12.433 1.00 0.00 H new ATOM 0 HB THR A 13 6.923 -4.119 -15.296 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.269 -6.262 -14.551 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.518 -6.014 -15.111 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.288 -4.454 -14.733 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.835 -5.564 -13.418 1.00 0.00 H new ATOM 206 N CYS A 14 7.757 -0.975 -13.142 1.00 0.00 N ATOM 207 CA CYS A 14 8.609 0.184 -13.343 1.00 0.00 C ATOM 208 C CYS A 14 8.586 1.028 -12.075 1.00 0.00 C ATOM 209 O CYS A 14 7.767 0.807 -11.175 1.00 0.00 O ATOM 210 CB CYS A 14 8.207 1.000 -14.582 1.00 0.00 C ATOM 211 SG CYS A 14 6.741 2.049 -14.414 1.00 0.00 S ATOM 0 H CYS A 14 7.062 -0.850 -12.406 1.00 0.00 H new ATOM 0 HA CYS A 14 9.627 -0.154 -13.537 1.00 0.00 H new ATOM 0 HB2 CYS A 14 9.049 1.632 -14.863 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.039 0.308 -15.407 1.00 0.00 H new ATOM 0 HG CYS A 14 6.525 2.676 -15.532 1.00 0.00 H new ATOM 216 N HIS A 15 9.506 1.990 -12.001 1.00 0.00 N ATOM 217 CA HIS A 15 9.626 2.842 -10.836 1.00 0.00 C ATOM 218 C HIS A 15 8.543 3.927 -10.825 1.00 0.00 C ATOM 219 O HIS A 15 8.247 4.484 -9.768 1.00 0.00 O ATOM 220 CB HIS A 15 11.040 3.426 -10.732 1.00 0.00 C ATOM 221 CG HIS A 15 11.434 3.680 -9.298 1.00 0.00 C ATOM 222 ND1 HIS A 15 10.569 4.005 -8.278 1.00 0.00 N ATOM 223 CD2 HIS A 15 12.655 3.419 -8.734 1.00 0.00 C ATOM 224 CE1 HIS A 15 11.261 3.966 -7.127 1.00 0.00 C ATOM 225 NE2 HIS A 15 12.539 3.618 -7.355 1.00 0.00 N ATOM 0 H HIS A 15 10.178 2.193 -12.741 1.00 0.00 H new ATOM 0 HA HIS A 15 9.464 2.232 -9.947 1.00 0.00 H new ATOM 0 HB2 HIS A 15 11.752 2.739 -11.189 1.00 0.00 H new ATOM 0 HB3 HIS A 15 11.091 4.358 -11.294 1.00 0.00 H new ATOM 0 HD1 HIS A 15 9.580 4.234 -8.378 1.00 0.00 H new ATOM 0 HD2 HIS A 15 13.547 3.114 -9.260 1.00 0.00 H new ATOM 0 HE1 HIS A 15 10.848 4.184 -6.153 1.00 0.00 H new ATOM 233 N SER A 16 7.971 4.257 -11.989 1.00 0.00 N ATOM 234 CA SER A 16 6.996 5.327 -12.116 1.00 0.00 C ATOM 235 C SER A 16 5.715 4.994 -11.357 1.00 0.00 C ATOM 236 O SER A 16 5.372 5.717 -10.429 1.00 0.00 O ATOM 237 CB SER A 16 6.719 5.635 -13.589 1.00 0.00 C ATOM 238 OG SER A 16 7.944 5.902 -14.243 1.00 0.00 O ATOM 0 H SER A 16 8.178 3.783 -12.868 1.00 0.00 H new ATOM 0 HA SER A 16 7.414 6.227 -11.665 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.216 4.791 -14.062 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.052 6.493 -13.675 1.00 0.00 H new ATOM 0 HG SER A 16 7.774 6.099 -15.188 1.00 0.00 H new ATOM 244 N CYS A 17 5.013 3.919 -11.735 1.00 0.00 N ATOM 245 CA CYS A 17 3.746 3.542 -11.115 1.00 0.00 C ATOM 246 C CYS A 17 3.902 3.468 -9.596 1.00 0.00 C ATOM 247 O CYS A 17 3.145 4.070 -8.831 1.00 0.00 O ATOM 248 CB CYS A 17 3.284 2.188 -11.667 1.00 0.00 C ATOM 249 SG CYS A 17 3.229 2.050 -13.472 1.00 0.00 S ATOM 0 H CYS A 17 5.311 3.289 -12.480 1.00 0.00 H new ATOM 0 HA CYS A 17 2.996 4.297 -11.349 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.949 1.414 -11.282 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.289 1.977 -11.275 1.00 0.00 H new ATOM 0 HG CYS A 17 4.440 2.040 -13.944 1.00 0.00 H new ATOM 254 N THR A 18 4.926 2.725 -9.186 1.00 0.00 N ATOM 255 CA THR A 18 5.270 2.500 -7.804 1.00 0.00 C ATOM 256 C THR A 18 5.521 3.836 -7.094 1.00 0.00 C ATOM 257 O THR A 18 4.836 4.129 -6.119 1.00 0.00 O ATOM 258 CB THR A 18 6.449 1.518 -7.756 1.00 0.00 C ATOM 259 OG1 THR A 18 7.483 1.963 -8.612 1.00 0.00 O ATOM 260 CG2 THR A 18 6.009 0.130 -8.242 1.00 0.00 C ATOM 0 H THR A 18 5.554 2.252 -9.836 1.00 0.00 H new ATOM 0 HA THR A 18 4.449 2.041 -7.254 1.00 0.00 H new ATOM 0 HB THR A 18 6.799 1.464 -6.725 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.456 1.454 -9.449 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.856 -0.555 -8.202 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.210 -0.243 -7.602 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.648 0.201 -9.268 1.00 0.00 H new ATOM 268 N SER A 19 6.441 4.669 -7.595 1.00 0.00 N ATOM 269 CA SER A 19 6.722 5.994 -7.035 1.00 0.00 C ATOM 270 C SER A 19 5.454 6.851 -6.948 1.00 0.00 C ATOM 271 O SER A 19 5.180 7.444 -5.908 1.00 0.00 O ATOM 272 CB SER A 19 7.802 6.701 -7.864 1.00 0.00 C ATOM 273 OG SER A 19 8.129 7.959 -7.306 1.00 0.00 O ATOM 0 H SER A 19 7.015 4.440 -8.406 1.00 0.00 H new ATOM 0 HA SER A 19 7.092 5.858 -6.019 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.695 6.077 -7.912 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.451 6.834 -8.887 1.00 0.00 H new ATOM 0 HG SER A 19 8.820 8.389 -7.851 1.00 0.00 H new ATOM 279 N THR A 20 4.668 6.925 -8.026 1.00 0.00 N ATOM 280 CA THR A 20 3.415 7.664 -8.058 1.00 0.00 C ATOM 281 C THR A 20 2.517 7.233 -6.902 1.00 0.00 C ATOM 282 O THR A 20 2.034 8.079 -6.146 1.00 0.00 O ATOM 283 CB THR A 20 2.735 7.475 -9.425 1.00 0.00 C ATOM 284 OG1 THR A 20 3.504 8.117 -10.421 1.00 0.00 O ATOM 285 CG2 THR A 20 1.314 8.049 -9.463 1.00 0.00 C ATOM 0 H THR A 20 4.892 6.466 -8.909 1.00 0.00 H new ATOM 0 HA THR A 20 3.612 8.728 -7.931 1.00 0.00 H new ATOM 0 HB THR A 20 2.668 6.402 -9.604 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.271 7.554 -10.656 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.883 7.888 -10.451 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.700 7.550 -8.713 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.348 9.118 -9.252 1.00 0.00 H new ATOM 293 N ILE A 21 2.288 5.927 -6.751 1.00 0.00 N ATOM 294 CA ILE A 21 1.504 5.414 -5.651 1.00 0.00 C ATOM 295 C ILE A 21 2.167 5.776 -4.323 1.00 0.00 C ATOM 296 O ILE A 21 1.483 6.227 -3.412 1.00 0.00 O ATOM 297 CB ILE A 21 1.268 3.914 -5.888 1.00 0.00 C ATOM 298 CG1 ILE A 21 -0.065 3.763 -6.616 1.00 0.00 C ATOM 299 CG2 ILE A 21 1.217 3.120 -4.598 1.00 0.00 C ATOM 300 CD1 ILE A 21 -0.232 2.421 -7.320 1.00 0.00 C ATOM 0 H ILE A 21 2.641 5.211 -7.386 1.00 0.00 H new ATOM 0 HA ILE A 21 0.518 5.874 -5.596 1.00 0.00 H new ATOM 0 HB ILE A 21 2.101 3.523 -6.472 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.876 3.890 -5.899 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.160 4.563 -7.351 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.048 2.067 -4.825 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.162 3.229 -4.066 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.404 3.491 -3.974 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.203 2.388 -7.815 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.557 2.298 -8.062 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.170 1.616 -6.588 1.00 0.00 H new ATOM 312 N GLU A 22 3.484 5.617 -4.211 1.00 0.00 N ATOM 313 CA GLU A 22 4.228 5.956 -3.009 1.00 0.00 C ATOM 314 C GLU A 22 3.965 7.408 -2.588 1.00 0.00 C ATOM 315 O GLU A 22 3.612 7.666 -1.437 1.00 0.00 O ATOM 316 CB GLU A 22 5.715 5.560 -3.165 1.00 0.00 C ATOM 317 CG GLU A 22 5.973 4.330 -2.282 1.00 0.00 C ATOM 318 CD GLU A 22 7.334 3.668 -2.438 1.00 0.00 C ATOM 319 OE1 GLU A 22 8.219 4.291 -3.058 1.00 0.00 O ATOM 320 OE2 GLU A 22 7.465 2.544 -1.896 1.00 0.00 O ATOM 0 H GLU A 22 4.066 5.245 -4.961 1.00 0.00 H new ATOM 0 HA GLU A 22 3.869 5.366 -2.166 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.942 5.336 -4.207 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.362 6.385 -2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.852 4.625 -1.240 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.204 3.588 -2.495 1.00 0.00 H new ATOM 327 N GLY A 23 4.052 8.347 -3.529 1.00 0.00 N ATOM 328 CA GLY A 23 3.691 9.736 -3.315 1.00 0.00 C ATOM 329 C GLY A 23 2.230 9.879 -2.887 1.00 0.00 C ATOM 330 O GLY A 23 1.933 10.480 -1.853 1.00 0.00 O ATOM 0 H GLY A 23 4.381 8.154 -4.475 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.338 10.167 -2.551 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.859 10.301 -4.232 1.00 0.00 H new ATOM 334 N LYS A 24 1.303 9.348 -3.692 1.00 0.00 N ATOM 335 CA LYS A 24 -0.128 9.517 -3.462 1.00 0.00 C ATOM 336 C LYS A 24 -0.522 9.011 -2.074 1.00 0.00 C ATOM 337 O LYS A 24 -1.243 9.680 -1.339 1.00 0.00 O ATOM 338 CB LYS A 24 -0.938 8.800 -4.556 1.00 0.00 C ATOM 339 CG LYS A 24 -2.276 9.505 -4.833 1.00 0.00 C ATOM 340 CD LYS A 24 -2.097 10.589 -5.909 1.00 0.00 C ATOM 341 CE LYS A 24 -3.449 11.176 -6.344 1.00 0.00 C ATOM 342 NZ LYS A 24 -3.322 12.035 -7.542 1.00 0.00 N ATOM 0 H LYS A 24 1.527 8.792 -4.517 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.357 10.582 -3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.352 8.760 -5.474 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.126 7.770 -4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.017 8.776 -5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.655 9.954 -3.915 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.460 11.385 -5.523 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.588 10.164 -6.774 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.146 10.364 -6.552 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.872 11.757 -5.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.257 12.410 -7.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.677 12.825 -7.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.943 11.475 -8.332 1.00 0.00 H new ATOM 356 N ILE A 25 -0.045 7.818 -1.734 1.00 0.00 N ATOM 357 CA ILE A 25 -0.286 7.177 -0.456 1.00 0.00 C ATOM 358 C ILE A 25 0.395 7.978 0.652 1.00 0.00 C ATOM 359 O ILE A 25 -0.244 8.305 1.650 1.00 0.00 O ATOM 360 CB ILE A 25 0.113 5.693 -0.510 1.00 0.00 C ATOM 361 CG1 ILE A 25 -0.686 4.892 -1.548 1.00 0.00 C ATOM 362 CG2 ILE A 25 -0.018 5.063 0.875 1.00 0.00 C ATOM 363 CD1 ILE A 25 -2.078 4.551 -1.040 1.00 0.00 C ATOM 0 H ILE A 25 0.535 7.259 -2.360 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.351 7.175 -0.222 1.00 0.00 H new ATOM 0 HB ILE A 25 1.154 5.656 -0.830 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.765 5.467 -2.470 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.151 3.974 -1.790 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.267 4.012 0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.636 5.583 1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.051 5.143 1.215 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.614 3.984 -1.801 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.998 3.954 -0.132 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.621 5.471 -0.822 1.00 0.00 H new ATOM 375 N GLY A 26 1.667 8.342 0.462 1.00 0.00 N ATOM 376 CA GLY A 26 2.403 9.202 1.378 1.00 0.00 C ATOM 377 C GLY A 26 1.627 10.472 1.729 1.00 0.00 C ATOM 378 O GLY A 26 1.647 10.915 2.875 1.00 0.00 O ATOM 0 H GLY A 26 2.216 8.041 -0.343 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.626 8.650 2.291 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.358 9.474 0.929 1.00 0.00 H new ATOM 382 N LYS A 27 0.936 11.063 0.750 1.00 0.00 N ATOM 383 CA LYS A 27 0.129 12.249 0.951 1.00 0.00 C ATOM 384 C LYS A 27 -1.001 12.026 1.971 1.00 0.00 C ATOM 385 O LYS A 27 -1.451 12.987 2.592 1.00 0.00 O ATOM 386 CB LYS A 27 -0.411 12.717 -0.408 1.00 0.00 C ATOM 387 CG LYS A 27 -0.873 14.173 -0.347 1.00 0.00 C ATOM 388 CD LYS A 27 -1.588 14.600 -1.637 1.00 0.00 C ATOM 389 CE LYS A 27 -2.189 16.003 -1.449 1.00 0.00 C ATOM 390 NZ LYS A 27 -2.959 16.455 -2.627 1.00 0.00 N ATOM 0 H LYS A 27 0.927 10.721 -0.211 1.00 0.00 H new ATOM 0 HA LYS A 27 0.757 13.031 1.379 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.364 12.610 -1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.243 12.081 -0.710 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.544 14.306 0.501 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.013 14.820 -0.177 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.886 14.602 -2.471 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.374 13.886 -1.883 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.839 16.001 -0.574 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.387 16.714 -1.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.342 17.405 -2.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.336 16.484 -3.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.742 15.794 -2.804 1.00 0.00 H new ATOM 404 N LEU A 28 -1.522 10.802 2.110 1.00 0.00 N ATOM 405 CA LEU A 28 -2.732 10.582 2.878 1.00 0.00 C ATOM 406 C LEU A 28 -2.480 10.661 4.381 1.00 0.00 C ATOM 407 O LEU A 28 -1.546 10.063 4.920 1.00 0.00 O ATOM 408 CB LEU A 28 -3.343 9.230 2.560 1.00 0.00 C ATOM 409 CG LEU A 28 -3.713 8.992 1.084 1.00 0.00 C ATOM 410 CD1 LEU A 28 -4.931 8.071 1.056 1.00 0.00 C ATOM 411 CD2 LEU A 28 -4.090 10.246 0.282 1.00 0.00 C ATOM 0 H LEU A 28 -1.121 9.959 1.700 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.422 11.377 2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.643 8.454 2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.242 9.107 3.165 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.817 8.581 0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.220 7.882 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.685 7.127 1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.758 8.546 1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.332 9.964 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.955 10.725 0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.251 10.941 0.278 1.00 0.00 H new ATOM 423 N GLN A 29 -3.378 11.364 5.065 1.00 0.00 N ATOM 424 CA GLN A 29 -3.297 11.589 6.492 1.00 0.00 C ATOM 425 C GLN A 29 -3.578 10.310 7.290 1.00 0.00 C ATOM 426 O GLN A 29 -4.713 10.057 7.682 1.00 0.00 O ATOM 427 CB GLN A 29 -4.210 12.768 6.862 1.00 0.00 C ATOM 428 CG GLN A 29 -5.698 12.457 6.627 1.00 0.00 C ATOM 429 CD GLN A 29 -6.481 13.670 6.134 1.00 0.00 C ATOM 430 OE1 GLN A 29 -6.356 14.764 6.674 1.00 0.00 O ATOM 431 NE2 GLN A 29 -7.288 13.497 5.090 1.00 0.00 N ATOM 0 H GLN A 29 -4.193 11.797 4.630 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.278 11.861 6.767 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.057 13.027 7.910 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.927 13.641 6.274 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.786 11.652 5.898 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.141 12.096 7.555 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.374 12.577 4.659 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.820 14.285 4.721 1.00 0.00 H new ATOM 440 N GLY A 30 -2.549 9.497 7.534 1.00 0.00 N ATOM 441 CA GLY A 30 -2.706 8.254 8.285 1.00 0.00 C ATOM 442 C GLY A 30 -1.666 7.184 7.992 1.00 0.00 C ATOM 443 O GLY A 30 -1.544 6.225 8.760 1.00 0.00 O ATOM 0 H GLY A 30 -1.596 9.679 7.221 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.676 8.485 9.350 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.694 7.844 8.076 1.00 0.00 H new ATOM 447 N VAL A 31 -0.924 7.321 6.892 1.00 0.00 N ATOM 448 CA VAL A 31 0.153 6.408 6.578 1.00 0.00 C ATOM 449 C VAL A 31 1.433 6.886 7.257 1.00 0.00 C ATOM 450 O VAL A 31 1.612 8.082 7.478 1.00 0.00 O ATOM 451 CB VAL A 31 0.299 6.308 5.053 1.00 0.00 C ATOM 452 CG1 VAL A 31 1.358 5.271 4.663 1.00 0.00 C ATOM 453 CG2 VAL A 31 -1.041 5.910 4.426 1.00 0.00 C ATOM 0 H VAL A 31 -1.058 8.064 6.206 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.062 5.408 6.955 1.00 0.00 H new ATOM 0 HB VAL A 31 0.612 7.285 4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.438 5.223 3.577 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.321 5.558 5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.069 4.293 5.049 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.930 5.841 3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.355 4.944 4.821 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.793 6.662 4.666 1.00 0.00 H new ATOM 463 N GLN A 32 2.305 5.939 7.610 1.00 0.00 N ATOM 464 CA GLN A 32 3.537 6.187 8.346 1.00 0.00 C ATOM 465 C GLN A 32 4.758 5.724 7.546 1.00 0.00 C ATOM 466 O GLN A 32 5.821 6.343 7.613 1.00 0.00 O ATOM 467 CB GLN A 32 3.424 5.474 9.696 1.00 0.00 C ATOM 468 CG GLN A 32 2.581 6.275 10.693 1.00 0.00 C ATOM 469 CD GLN A 32 3.405 7.277 11.500 1.00 0.00 C ATOM 470 OE1 GLN A 32 4.310 7.918 10.976 1.00 0.00 O ATOM 471 NE2 GLN A 32 3.110 7.419 12.789 1.00 0.00 N ATOM 0 H GLN A 32 2.166 4.954 7.384 1.00 0.00 H new ATOM 0 HA GLN A 32 3.676 7.255 8.512 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.978 4.490 9.551 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.421 5.315 10.108 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.798 6.808 10.153 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.085 5.586 11.377 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.353 6.875 13.202 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.641 8.072 13.365 1.00 0.00 H new ATOM 480 N ARG A 33 4.635 4.637 6.779 1.00 0.00 N ATOM 481 CA ARG A 33 5.702 4.146 5.929 1.00 0.00 C ATOM 482 C ARG A 33 5.058 3.323 4.826 1.00 0.00 C ATOM 483 O ARG A 33 3.875 2.998 4.878 1.00 0.00 O ATOM 484 CB ARG A 33 6.732 3.383 6.779 1.00 0.00 C ATOM 485 CG ARG A 33 8.077 3.182 6.065 1.00 0.00 C ATOM 486 CD ARG A 33 9.233 3.536 7.006 1.00 0.00 C ATOM 487 NE ARG A 33 9.251 4.985 7.279 1.00 0.00 N ATOM 488 CZ ARG A 33 10.209 5.631 7.963 1.00 0.00 C ATOM 489 NH1 ARG A 33 11.162 4.931 8.589 1.00 0.00 N ATOM 490 NH2 ARG A 33 10.212 6.967 8.008 1.00 0.00 N ATOM 0 H ARG A 33 3.784 4.076 6.736 1.00 0.00 H new ATOM 0 HA ARG A 33 6.265 4.949 5.454 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.900 3.926 7.709 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.322 2.410 7.048 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.171 2.147 5.735 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.120 3.807 5.173 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.131 2.985 7.941 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.180 3.232 6.559 1.00 0.00 H new ATOM 0 HE ARG A 33 8.474 5.540 6.920 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.158 3.912 8.545 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.892 5.416 9.110 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.487 7.495 7.523 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.940 7.458 8.527 1.00 0.00 H new ATOM 504 N ILE A 34 5.811 3.053 3.774 1.00 0.00 N ATOM 505 CA ILE A 34 5.322 2.424 2.590 1.00 0.00 C ATOM 506 C ILE A 34 6.557 1.832 1.928 1.00 0.00 C ATOM 507 O ILE A 34 7.645 2.415 2.014 1.00 0.00 O ATOM 508 CB ILE A 34 4.544 3.458 1.764 1.00 0.00 C ATOM 509 CG1 ILE A 34 4.189 2.834 0.417 1.00 0.00 C ATOM 510 CG2 ILE A 34 5.248 4.816 1.594 1.00 0.00 C ATOM 511 CD1 ILE A 34 3.016 3.544 -0.254 1.00 0.00 C ATOM 0 H ILE A 34 6.805 3.277 3.733 1.00 0.00 H new ATOM 0 HA ILE A 34 4.604 1.620 2.749 1.00 0.00 H new ATOM 0 HB ILE A 34 3.642 3.704 2.325 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.058 2.871 -0.240 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.942 1.782 0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.621 5.478 0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.418 5.263 2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.204 4.670 1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.799 3.066 -1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.138 3.484 0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.272 4.590 -0.422 1.00 0.00 H new ATOM 523 N LYS A 35 6.400 0.630 1.380 1.00 0.00 N ATOM 524 CA LYS A 35 7.424 -0.064 0.641 1.00 0.00 C ATOM 525 C LYS A 35 6.835 -0.796 -0.569 1.00 0.00 C ATOM 526 O LYS A 35 6.553 -1.996 -0.511 1.00 0.00 O ATOM 527 CB LYS A 35 8.286 -0.936 1.573 1.00 0.00 C ATOM 528 CG LYS A 35 9.483 -0.206 2.195 1.00 0.00 C ATOM 529 CD LYS A 35 10.503 0.258 1.143 1.00 0.00 C ATOM 530 CE LYS A 35 11.590 1.142 1.756 1.00 0.00 C ATOM 531 NZ LYS A 35 11.094 2.524 1.934 1.00 0.00 N ATOM 0 H LYS A 35 5.528 0.106 1.446 1.00 0.00 H new ATOM 0 HA LYS A 35 8.116 0.663 0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.656 -1.323 2.374 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.652 -1.795 1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.126 0.658 2.755 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.977 -0.867 2.908 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.963 -0.612 0.675 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.988 0.809 0.356 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.900 0.734 2.718 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.470 1.145 1.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.844 3.111 2.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.821 2.916 1.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.268 2.518 2.566 1.00 0.00 H new ATOM 545 N VAL A 36 6.640 -0.066 -1.669 1.00 0.00 N ATOM 546 CA VAL A 36 6.098 -0.622 -2.896 1.00 0.00 C ATOM 547 C VAL A 36 7.229 -1.255 -3.707 1.00 0.00 C ATOM 548 O VAL A 36 8.085 -0.540 -4.222 1.00 0.00 O ATOM 549 CB VAL A 36 5.326 0.459 -3.665 1.00 0.00 C ATOM 550 CG1 VAL A 36 4.770 -0.106 -4.973 1.00 0.00 C ATOM 551 CG2 VAL A 36 4.149 0.954 -2.820 1.00 0.00 C ATOM 0 H VAL A 36 6.856 0.929 -1.727 1.00 0.00 H new ATOM 0 HA VAL A 36 5.381 -1.413 -2.677 1.00 0.00 H new ATOM 0 HB VAL A 36 6.013 1.278 -3.881 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.226 0.675 -5.504 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.592 -0.462 -5.594 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.095 -0.934 -4.754 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.604 1.721 -3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.482 0.120 -2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.523 1.373 -1.886 1.00 0.00 H new ATOM 561 N SER A 37 7.244 -2.586 -3.826 1.00 0.00 N ATOM 562 CA SER A 37 8.226 -3.280 -4.637 1.00 0.00 C ATOM 563 C SER A 37 7.690 -3.410 -6.065 1.00 0.00 C ATOM 564 O SER A 37 6.526 -3.115 -6.335 1.00 0.00 O ATOM 565 CB SER A 37 8.549 -4.647 -4.030 1.00 0.00 C ATOM 566 OG SER A 37 8.545 -4.598 -2.613 1.00 0.00 O ATOM 0 H SER A 37 6.576 -3.202 -3.362 1.00 0.00 H new ATOM 0 HA SER A 37 9.155 -2.711 -4.663 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.819 -5.380 -4.372 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.525 -4.981 -4.381 1.00 0.00 H new ATOM 0 HG SER A 37 8.753 -5.486 -2.254 1.00 0.00 H new ATOM 572 N LEU A 38 8.545 -3.882 -6.971 1.00 0.00 N ATOM 573 CA LEU A 38 8.223 -4.097 -8.373 1.00 0.00 C ATOM 574 C LEU A 38 8.729 -5.472 -8.807 1.00 0.00 C ATOM 575 O LEU A 38 7.980 -6.261 -9.380 1.00 0.00 O ATOM 576 CB LEU A 38 8.751 -2.955 -9.257 1.00 0.00 C ATOM 577 CG LEU A 38 10.143 -2.380 -8.937 1.00 0.00 C ATOM 578 CD1 LEU A 38 10.584 -1.513 -10.120 1.00 0.00 C ATOM 579 CD2 LEU A 38 10.160 -1.502 -7.674 1.00 0.00 C ATOM 0 H LEU A 38 9.507 -4.131 -6.739 1.00 0.00 H new ATOM 0 HA LEU A 38 7.140 -4.086 -8.500 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.764 -3.309 -10.288 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.032 -2.137 -9.210 1.00 0.00 H new ATOM 0 HG LEU A 38 10.811 -3.223 -8.761 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.569 -1.094 -9.916 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.629 -2.124 -11.022 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.868 -0.704 -10.265 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.170 -1.128 -7.504 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.479 -0.661 -7.806 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.843 -2.094 -6.815 1.00 0.00 H new ATOM 591 N ASP A 39 9.986 -5.777 -8.476 1.00 0.00 N ATOM 592 CA ASP A 39 10.686 -7.012 -8.792 1.00 0.00 C ATOM 593 C ASP A 39 9.807 -8.209 -8.491 1.00 0.00 C ATOM 594 O ASP A 39 9.454 -8.991 -9.370 1.00 0.00 O ATOM 595 CB ASP A 39 11.969 -7.139 -7.943 1.00 0.00 C ATOM 596 CG ASP A 39 12.728 -5.829 -7.758 1.00 0.00 C ATOM 597 OD1 ASP A 39 12.097 -4.907 -7.185 1.00 0.00 O ATOM 598 OD2 ASP A 39 13.897 -5.773 -8.187 1.00 0.00 O ATOM 0 H ASP A 39 10.571 -5.127 -7.950 1.00 0.00 H new ATOM 0 HA ASP A 39 10.939 -6.987 -9.852 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.705 -7.534 -6.962 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.631 -7.867 -8.412 1.00 0.00 H new ATOM 603 N ASN A 40 9.445 -8.322 -7.212 1.00 0.00 N ATOM 604 CA ASN A 40 8.671 -9.437 -6.705 1.00 0.00 C ATOM 605 C ASN A 40 7.172 -9.095 -6.728 1.00 0.00 C ATOM 606 O ASN A 40 6.394 -9.697 -5.991 1.00 0.00 O ATOM 607 CB ASN A 40 9.180 -9.834 -5.321 1.00 0.00 C ATOM 608 CG ASN A 40 8.976 -11.318 -5.022 1.00 0.00 C ATOM 609 OD1 ASN A 40 9.933 -12.085 -4.994 1.00 0.00 O ATOM 610 ND2 ASN A 40 7.742 -11.743 -4.786 1.00 0.00 N ATOM 0 H ASN A 40 9.687 -7.633 -6.500 1.00 0.00 H new ATOM 0 HA ASN A 40 8.799 -10.307 -7.349 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.241 -9.595 -5.246 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.665 -9.241 -4.565 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.573 -12.727 -4.576 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.962 -11.086 -4.815 1.00 0.00 H new ATOM 617 N GLN A 41 6.803 -8.090 -7.538 1.00 0.00 N ATOM 618 CA GLN A 41 5.478 -7.527 -7.745 1.00 0.00 C ATOM 619 C GLN A 41 4.592 -7.570 -6.490 1.00 0.00 C ATOM 620 O GLN A 41 3.542 -8.213 -6.443 1.00 0.00 O ATOM 621 CB GLN A 41 4.883 -8.117 -9.041 1.00 0.00 C ATOM 622 CG GLN A 41 4.638 -7.027 -10.100 1.00 0.00 C ATOM 623 CD GLN A 41 4.679 -7.582 -11.517 1.00 0.00 C ATOM 624 OE1 GLN A 41 3.661 -7.688 -12.195 1.00 0.00 O ATOM 625 NE2 GLN A 41 5.878 -7.907 -11.993 1.00 0.00 N ATOM 0 H GLN A 41 7.497 -7.613 -8.114 1.00 0.00 H new ATOM 0 HA GLN A 41 5.547 -6.451 -7.906 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.561 -8.870 -9.443 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.944 -8.622 -8.814 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.669 -6.561 -9.922 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.391 -6.246 -9.996 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.705 -7.807 -11.404 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.971 -8.256 -12.947 1.00 0.00 H new ATOM 634 N GLU A 42 5.018 -6.843 -5.451 1.00 0.00 N ATOM 635 CA GLU A 42 4.334 -6.815 -4.175 1.00 0.00 C ATOM 636 C GLU A 42 4.497 -5.426 -3.578 1.00 0.00 C ATOM 637 O GLU A 42 5.517 -4.776 -3.792 1.00 0.00 O ATOM 638 CB GLU A 42 4.891 -7.921 -3.272 1.00 0.00 C ATOM 639 CG GLU A 42 4.054 -8.073 -2.000 1.00 0.00 C ATOM 640 CD GLU A 42 4.428 -9.334 -1.243 1.00 0.00 C ATOM 641 OE1 GLU A 42 5.453 -9.307 -0.534 1.00 0.00 O ATOM 642 OE2 GLU A 42 3.649 -10.306 -1.354 1.00 0.00 O ATOM 0 H GLU A 42 5.853 -6.258 -5.483 1.00 0.00 H new ATOM 0 HA GLU A 42 3.268 -7.010 -4.289 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.905 -8.865 -3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.923 -7.691 -3.006 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.201 -7.204 -1.359 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.996 -8.102 -2.259 1.00 0.00 H new ATOM 649 N ALA A 43 3.480 -4.965 -2.857 1.00 0.00 N ATOM 650 CA ALA A 43 3.407 -3.636 -2.298 1.00 0.00 C ATOM 651 C ALA A 43 3.162 -3.726 -0.793 1.00 0.00 C ATOM 652 O ALA A 43 2.225 -4.383 -0.340 1.00 0.00 O ATOM 653 CB ALA A 43 2.352 -2.823 -3.056 1.00 0.00 C ATOM 0 H ALA A 43 2.660 -5.533 -2.643 1.00 0.00 H new ATOM 0 HA ALA A 43 4.351 -3.105 -2.420 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.295 -1.819 -2.636 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.628 -2.761 -4.109 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.381 -3.311 -2.964 1.00 0.00 H new ATOM 659 N THR A 44 4.045 -3.091 -0.021 1.00 0.00 N ATOM 660 CA THR A 44 3.968 -2.954 1.420 1.00 0.00 C ATOM 661 C THR A 44 3.376 -1.585 1.711 1.00 0.00 C ATOM 662 O THR A 44 3.887 -0.596 1.191 1.00 0.00 O ATOM 663 CB THR A 44 5.388 -2.994 1.996 1.00 0.00 C ATOM 664 OG1 THR A 44 6.149 -4.011 1.373 1.00 0.00 O ATOM 665 CG2 THR A 44 5.358 -3.201 3.511 1.00 0.00 C ATOM 0 H THR A 44 4.872 -2.638 -0.411 1.00 0.00 H new ATOM 0 HA THR A 44 3.366 -3.751 1.856 1.00 0.00 H new ATOM 0 HB THR A 44 5.861 -2.033 1.794 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.531 -3.669 0.538 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.378 -3.226 3.895 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.814 -2.381 3.980 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.861 -4.144 3.740 1.00 0.00 H new ATOM 673 N ILE A 45 2.350 -1.505 2.552 1.00 0.00 N ATOM 674 CA ILE A 45 1.754 -0.238 2.945 1.00 0.00 C ATOM 675 C ILE A 45 1.702 -0.240 4.471 1.00 0.00 C ATOM 676 O ILE A 45 1.161 -1.188 5.035 1.00 0.00 O ATOM 677 CB ILE A 45 0.357 -0.132 2.315 1.00 0.00 C ATOM 678 CG1 ILE A 45 0.338 -0.357 0.789 1.00 0.00 C ATOM 679 CG2 ILE A 45 -0.270 1.218 2.653 1.00 0.00 C ATOM 680 CD1 ILE A 45 0.913 0.784 -0.047 1.00 0.00 C ATOM 0 H ILE A 45 1.909 -2.320 2.980 1.00 0.00 H new ATOM 0 HA ILE A 45 2.327 0.624 2.603 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.231 -0.942 2.747 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.896 -1.266 0.566 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.692 -0.531 0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.260 1.283 2.202 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.357 1.318 3.735 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.359 2.019 2.264 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.853 0.526 -1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.342 1.694 0.138 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.955 0.947 0.228 1.00 0.00 H new ATOM 692 N VAL A 46 2.304 0.753 5.139 1.00 0.00 N ATOM 693 CA VAL A 46 2.426 0.768 6.596 1.00 0.00 C ATOM 694 C VAL A 46 1.675 1.969 7.172 1.00 0.00 C ATOM 695 O VAL A 46 2.141 3.110 7.074 1.00 0.00 O ATOM 696 CB VAL A 46 3.898 0.755 7.039 1.00 0.00 C ATOM 697 CG1 VAL A 46 3.993 0.229 8.475 1.00 0.00 C ATOM 698 CG2 VAL A 46 4.779 -0.088 6.109 1.00 0.00 C ATOM 0 H VAL A 46 2.718 1.565 4.682 1.00 0.00 H new ATOM 0 HA VAL A 46 1.972 -0.141 6.989 1.00 0.00 H new ATOM 0 HB VAL A 46 4.270 1.779 6.990 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.036 0.219 8.791 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.419 0.876 9.138 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.591 -0.783 8.519 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.809 -0.065 6.464 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.420 -1.117 6.102 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.735 0.319 5.099 1.00 0.00 H new ATOM 708 N TYR A 47 0.503 1.720 7.762 1.00 0.00 N ATOM 709 CA TYR A 47 -0.398 2.785 8.171 1.00 0.00 C ATOM 710 C TYR A 47 -0.927 2.584 9.580 1.00 0.00 C ATOM 711 O TYR A 47 -0.767 1.518 10.175 1.00 0.00 O ATOM 712 CB TYR A 47 -1.530 2.937 7.143 1.00 0.00 C ATOM 713 CG TYR A 47 -2.615 1.873 7.197 1.00 0.00 C ATOM 714 CD1 TYR A 47 -3.642 1.966 8.156 1.00 0.00 C ATOM 715 CD2 TYR A 47 -2.659 0.842 6.240 1.00 0.00 C ATOM 716 CE1 TYR A 47 -4.643 0.987 8.222 1.00 0.00 C ATOM 717 CE2 TYR A 47 -3.728 -0.073 6.239 1.00 0.00 C ATOM 718 CZ TYR A 47 -4.683 -0.035 7.267 1.00 0.00 C ATOM 719 OH TYR A 47 -5.676 -0.963 7.330 1.00 0.00 O ATOM 0 H TYR A 47 0.160 0.781 7.965 1.00 0.00 H new ATOM 0 HA TYR A 47 0.168 3.716 8.198 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.996 3.912 7.284 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.093 2.934 6.145 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.658 2.797 8.845 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.872 0.753 5.506 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.382 1.021 9.009 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.814 -0.804 5.448 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.478 -0.558 7.720 1.00 0.00 H new ATOM 729 N GLN A 48 -1.552 3.638 10.107 1.00 0.00 N ATOM 730 CA GLN A 48 -2.020 3.692 11.476 1.00 0.00 C ATOM 731 C GLN A 48 -3.523 3.366 11.538 1.00 0.00 C ATOM 732 O GLN A 48 -4.328 4.146 11.017 1.00 0.00 O ATOM 733 CB GLN A 48 -1.686 5.088 12.005 1.00 0.00 C ATOM 734 CG GLN A 48 -1.695 5.073 13.543 1.00 0.00 C ATOM 735 CD GLN A 48 -0.978 6.265 14.168 1.00 0.00 C ATOM 736 OE1 GLN A 48 -0.608 7.218 13.491 1.00 0.00 O ATOM 737 NE2 GLN A 48 -0.770 6.215 15.481 1.00 0.00 N ATOM 0 H GLN A 48 -1.746 4.488 9.578 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.532 2.947 12.104 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.708 5.402 11.640 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.412 5.812 11.634 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.727 5.057 13.892 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.226 4.153 13.892 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.090 5.409 16.018 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.291 6.983 15.951 1.00 0.00 H new ATOM 746 N PRO A 49 -3.922 2.227 12.139 1.00 0.00 N ATOM 747 CA PRO A 49 -5.288 1.713 12.091 1.00 0.00 C ATOM 748 C PRO A 49 -6.221 2.557 12.958 1.00 0.00 C ATOM 749 O PRO A 49 -6.572 2.187 14.076 1.00 0.00 O ATOM 750 CB PRO A 49 -5.194 0.261 12.570 1.00 0.00 C ATOM 751 CG PRO A 49 -4.034 0.323 13.560 1.00 0.00 C ATOM 752 CD PRO A 49 -3.075 1.295 12.872 1.00 0.00 C ATOM 0 HA PRO A 49 -5.712 1.761 11.088 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.117 -0.072 13.045 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.992 -0.427 11.749 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.351 0.687 14.537 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.579 -0.655 13.717 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.456 1.818 13.601 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.398 0.768 12.199 1.00 0.00 H new ATOM 760 N HIS A 50 -6.606 3.708 12.416 1.00 0.00 N ATOM 761 CA HIS A 50 -7.385 4.740 13.078 1.00 0.00 C ATOM 762 C HIS A 50 -7.596 5.857 12.062 1.00 0.00 C ATOM 763 O HIS A 50 -8.723 6.281 11.825 1.00 0.00 O ATOM 764 CB HIS A 50 -6.636 5.234 14.330 1.00 0.00 C ATOM 765 CG HIS A 50 -6.994 6.620 14.811 1.00 0.00 C ATOM 766 ND1 HIS A 50 -6.094 7.564 15.254 1.00 0.00 N ATOM 767 CD2 HIS A 50 -8.245 7.176 14.885 1.00 0.00 C ATOM 768 CE1 HIS A 50 -6.789 8.667 15.578 1.00 0.00 C ATOM 769 NE2 HIS A 50 -8.102 8.480 15.371 1.00 0.00 N ATOM 0 H HIS A 50 -6.370 3.955 11.455 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.351 4.365 13.416 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -6.821 4.530 15.141 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -5.566 5.208 14.123 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -9.174 6.694 14.616 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -6.351 9.580 15.954 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -8.848 9.155 15.536 1.00 0.00 H new ATOM 777 N LEU A 51 -6.500 6.336 11.472 1.00 0.00 N ATOM 778 CA LEU A 51 -6.552 7.488 10.588 1.00 0.00 C ATOM 779 C LEU A 51 -7.016 7.088 9.187 1.00 0.00 C ATOM 780 O LEU A 51 -7.863 7.757 8.602 1.00 0.00 O ATOM 781 CB LEU A 51 -5.190 8.166 10.582 1.00 0.00 C ATOM 782 CG LEU A 51 -4.883 8.822 11.944 1.00 0.00 C ATOM 783 CD1 LEU A 51 -3.609 8.250 12.570 1.00 0.00 C ATOM 784 CD2 LEU A 51 -4.754 10.340 11.785 1.00 0.00 C ATOM 0 H LEU A 51 -5.568 5.940 11.594 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.289 8.203 10.954 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.418 7.433 10.347 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.161 8.922 9.797 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.714 8.600 12.613 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.425 8.736 13.528 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.729 7.178 12.724 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.765 8.429 11.904 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.537 10.790 12.754 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.944 10.566 11.091 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.688 10.746 11.397 1.00 0.00 H new ATOM 796 N ILE A 52 -6.451 6.005 8.650 1.00 0.00 N ATOM 797 CA ILE A 52 -6.696 5.502 7.314 1.00 0.00 C ATOM 798 C ILE A 52 -6.919 3.985 7.404 1.00 0.00 C ATOM 799 O ILE A 52 -6.710 3.401 8.468 1.00 0.00 O ATOM 800 CB ILE A 52 -5.491 5.926 6.448 1.00 0.00 C ATOM 801 CG1 ILE A 52 -5.926 6.601 5.157 1.00 0.00 C ATOM 802 CG2 ILE A 52 -4.461 4.830 6.196 1.00 0.00 C ATOM 803 CD1 ILE A 52 -6.093 8.111 5.344 1.00 0.00 C ATOM 0 H ILE A 52 -5.781 5.435 9.166 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.592 5.909 6.846 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.966 6.663 7.056 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.188 6.409 4.378 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.867 6.169 4.818 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.654 5.224 5.579 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.056 4.486 7.148 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.937 3.995 5.681 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.404 8.562 4.402 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.849 8.302 6.105 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.144 8.546 5.658 1.00 0.00 H new ATOM 815 N SER A 53 -7.369 3.350 6.316 1.00 0.00 N ATOM 816 CA SER A 53 -7.808 1.959 6.307 1.00 0.00 C ATOM 817 C SER A 53 -7.334 1.237 5.043 1.00 0.00 C ATOM 818 O SER A 53 -7.013 1.881 4.042 1.00 0.00 O ATOM 819 CB SER A 53 -9.339 1.949 6.376 1.00 0.00 C ATOM 820 OG SER A 53 -9.864 2.635 5.252 1.00 0.00 O ATOM 0 H SER A 53 -7.438 3.800 5.403 1.00 0.00 H new ATOM 0 HA SER A 53 -7.380 1.435 7.161 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.707 0.923 6.395 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.676 2.425 7.297 1.00 0.00 H new ATOM 0 HG SER A 53 -10.843 2.629 5.293 1.00 0.00 H new ATOM 826 N VAL A 54 -7.343 -0.104 5.081 1.00 0.00 N ATOM 827 CA VAL A 54 -7.079 -0.960 3.927 1.00 0.00 C ATOM 828 C VAL A 54 -7.802 -0.448 2.685 1.00 0.00 C ATOM 829 O VAL A 54 -7.210 -0.387 1.612 1.00 0.00 O ATOM 830 CB VAL A 54 -7.495 -2.420 4.194 1.00 0.00 C ATOM 831 CG1 VAL A 54 -7.314 -3.252 2.917 1.00 0.00 C ATOM 832 CG2 VAL A 54 -6.677 -3.070 5.313 1.00 0.00 C ATOM 0 H VAL A 54 -7.538 -0.629 5.934 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.003 -0.930 3.754 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.540 -2.398 4.505 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.609 -4.283 3.110 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.936 -2.839 2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.268 -3.225 2.610 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.012 -4.097 5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.622 -3.068 5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.815 -2.509 6.237 1.00 0.00 H new ATOM 842 N GLU A 55 -9.093 -0.139 2.811 1.00 0.00 N ATOM 843 CA GLU A 55 -9.887 0.234 1.658 1.00 0.00 C ATOM 844 C GLU A 55 -9.363 1.532 1.045 1.00 0.00 C ATOM 845 O GLU A 55 -9.196 1.575 -0.159 1.00 0.00 O ATOM 846 CB GLU A 55 -11.365 0.304 2.030 1.00 0.00 C ATOM 847 CG GLU A 55 -12.300 0.418 0.825 1.00 0.00 C ATOM 848 CD GLU A 55 -12.961 -0.904 0.463 1.00 0.00 C ATOM 849 OE1 GLU A 55 -13.825 -1.344 1.248 1.00 0.00 O ATOM 850 OE2 GLU A 55 -12.584 -1.456 -0.595 1.00 0.00 O ATOM 0 H GLU A 55 -9.601 -0.142 3.696 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.793 -0.533 0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.629 -0.587 2.600 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.525 1.161 2.685 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -13.071 1.158 1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.736 0.784 -0.033 1.00 0.00 H new ATOM 857 N GLU A 56 -9.062 2.571 1.827 1.00 0.00 N ATOM 858 CA GLU A 56 -8.435 3.783 1.319 1.00 0.00 C ATOM 859 C GLU A 56 -7.203 3.393 0.506 1.00 0.00 C ATOM 860 O GLU A 56 -7.132 3.690 -0.685 1.00 0.00 O ATOM 861 CB GLU A 56 -8.084 4.728 2.481 1.00 0.00 C ATOM 862 CG GLU A 56 -9.101 5.871 2.612 1.00 0.00 C ATOM 863 CD GLU A 56 -8.996 6.894 1.482 1.00 0.00 C ATOM 864 OE1 GLU A 56 -7.875 7.049 0.950 1.00 0.00 O ATOM 865 OE2 GLU A 56 -10.036 7.519 1.184 1.00 0.00 O ATOM 0 H GLU A 56 -9.248 2.591 2.830 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.123 4.322 0.668 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.050 4.163 3.412 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.088 5.143 2.324 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.108 5.454 2.625 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.952 6.375 3.567 1.00 0.00 H new ATOM 872 N MET A 57 -6.261 2.670 1.127 1.00 0.00 N ATOM 873 CA MET A 57 -5.103 2.159 0.430 1.00 0.00 C ATOM 874 C MET A 57 -5.475 1.494 -0.908 1.00 0.00 C ATOM 875 O MET A 57 -5.107 1.989 -1.969 1.00 0.00 O ATOM 876 CB MET A 57 -4.301 1.255 1.347 1.00 0.00 C ATOM 877 CG MET A 57 -3.881 1.885 2.680 1.00 0.00 C ATOM 878 SD MET A 57 -2.822 3.357 2.704 1.00 0.00 S ATOM 879 CE MET A 57 -3.997 4.702 2.461 1.00 0.00 C ATOM 0 H MET A 57 -6.291 2.432 2.118 1.00 0.00 H new ATOM 0 HA MET A 57 -4.463 2.998 0.159 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.889 0.361 1.555 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.405 0.931 0.818 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.794 2.136 3.220 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.372 1.112 3.256 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.606 5.613 2.914 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.149 4.864 1.394 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.948 4.443 2.928 1.00 0.00 H new ATOM 889 N LYS A 58 -6.213 0.383 -0.881 1.00 0.00 N ATOM 890 CA LYS A 58 -6.576 -0.341 -2.091 1.00 0.00 C ATOM 891 C LYS A 58 -7.369 0.506 -3.059 1.00 0.00 C ATOM 892 O LYS A 58 -6.928 0.668 -4.181 1.00 0.00 O ATOM 893 CB LYS A 58 -7.235 -1.675 -1.782 1.00 0.00 C ATOM 894 CG LYS A 58 -8.095 -2.270 -2.901 1.00 0.00 C ATOM 895 CD LYS A 58 -9.582 -1.900 -2.788 1.00 0.00 C ATOM 896 CE LYS A 58 -10.450 -3.165 -2.760 1.00 0.00 C ATOM 897 NZ LYS A 58 -11.885 -2.833 -2.719 1.00 0.00 N ATOM 0 H LYS A 58 -6.572 -0.035 -0.023 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.646 -0.577 -2.608 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.456 -2.393 -1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.858 -1.554 -0.896 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.715 -1.927 -3.863 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.996 -3.355 -2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.750 -1.317 -1.883 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.872 -1.272 -3.630 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.241 -3.771 -3.641 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.190 -3.767 -1.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.421 -3.652 -2.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.036 -2.022 -2.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.213 -2.591 -3.676 1.00 0.00 H new ATOM 911 N LYS A 59 -8.527 1.020 -2.670 1.00 0.00 N ATOM 912 CA LYS A 59 -9.361 1.851 -3.516 1.00 0.00 C ATOM 913 C LYS A 59 -8.495 2.882 -4.232 1.00 0.00 C ATOM 914 O LYS A 59 -8.581 3.003 -5.450 1.00 0.00 O ATOM 915 CB LYS A 59 -10.445 2.523 -2.674 1.00 0.00 C ATOM 916 CG LYS A 59 -11.675 2.942 -3.487 1.00 0.00 C ATOM 917 CD LYS A 59 -12.187 4.302 -3.001 1.00 0.00 C ATOM 918 CE LYS A 59 -13.641 4.515 -3.441 1.00 0.00 C ATOM 919 NZ LYS A 59 -14.043 5.933 -3.349 1.00 0.00 N ATOM 0 H LYS A 59 -8.917 0.866 -1.740 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.853 1.236 -4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.756 1.840 -1.884 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.024 3.403 -2.187 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.420 2.997 -4.545 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.460 2.192 -3.387 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.118 4.357 -1.915 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.559 5.098 -3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.764 4.169 -4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.301 3.910 -2.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.032 6.034 -3.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.950 6.257 -2.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.430 6.508 -3.962 1.00 0.00 H new ATOM 933 N GLN A 60 -7.624 3.583 -3.500 1.00 0.00 N ATOM 934 CA GLN A 60 -6.753 4.560 -4.143 1.00 0.00 C ATOM 935 C GLN A 60 -5.744 3.895 -5.091 1.00 0.00 C ATOM 936 O GLN A 60 -5.477 4.424 -6.168 1.00 0.00 O ATOM 937 CB GLN A 60 -6.046 5.414 -3.091 1.00 0.00 C ATOM 938 CG GLN A 60 -6.943 6.348 -2.246 1.00 0.00 C ATOM 939 CD GLN A 60 -8.433 6.335 -2.593 1.00 0.00 C ATOM 940 OE1 GLN A 60 -9.253 5.707 -1.932 1.00 0.00 O ATOM 941 NE2 GLN A 60 -8.818 7.032 -3.661 1.00 0.00 N ATOM 0 H GLN A 60 -7.507 3.494 -2.491 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.377 5.211 -4.755 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.512 4.748 -2.413 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.296 6.024 -3.594 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.832 6.076 -1.196 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.574 7.368 -2.352 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.130 7.552 -4.206 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.801 7.046 -3.934 1.00 0.00 H new ATOM 950 N ILE A 61 -5.165 2.758 -4.702 1.00 0.00 N ATOM 951 CA ILE A 61 -4.215 2.024 -5.531 1.00 0.00 C ATOM 952 C ILE A 61 -4.911 1.442 -6.760 1.00 0.00 C ATOM 953 O ILE A 61 -4.610 1.855 -7.879 1.00 0.00 O ATOM 954 CB ILE A 61 -3.470 0.979 -4.692 1.00 0.00 C ATOM 955 CG1 ILE A 61 -2.561 1.779 -3.746 1.00 0.00 C ATOM 956 CG2 ILE A 61 -2.669 0.029 -5.597 1.00 0.00 C ATOM 957 CD1 ILE A 61 -1.820 0.913 -2.736 1.00 0.00 C ATOM 0 H ILE A 61 -5.345 2.321 -3.798 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.456 2.708 -5.911 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.152 0.344 -4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.834 2.335 -4.338 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.164 2.512 -3.210 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.147 -0.705 -4.983 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.348 -0.484 -6.278 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.942 0.602 -6.173 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.198 1.545 -2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.541 0.377 -2.119 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.190 0.197 -3.264 1.00 0.00 H new ATOM 969 N GLU A 62 -5.843 0.503 -6.568 1.00 0.00 N ATOM 970 CA GLU A 62 -6.682 -0.015 -7.628 1.00 0.00 C ATOM 971 C GLU A 62 -7.211 1.097 -8.544 1.00 0.00 C ATOM 972 O GLU A 62 -7.188 0.925 -9.761 1.00 0.00 O ATOM 973 CB GLU A 62 -7.819 -0.828 -6.985 1.00 0.00 C ATOM 974 CG GLU A 62 -7.796 -2.299 -7.407 1.00 0.00 C ATOM 975 CD GLU A 62 -8.943 -3.101 -6.798 1.00 0.00 C ATOM 976 OE1 GLU A 62 -9.537 -2.616 -5.808 1.00 0.00 O ATOM 977 OE2 GLU A 62 -9.199 -4.201 -7.328 1.00 0.00 O ATOM 0 H GLU A 62 -6.030 0.083 -5.658 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.092 -0.663 -8.276 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.740 -0.763 -5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.777 -0.389 -7.261 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.850 -2.362 -8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.847 -2.744 -7.108 1.00 0.00 H new ATOM 984 N ALA A 63 -7.645 2.243 -7.997 1.00 0.00 N ATOM 985 CA ALA A 63 -8.144 3.348 -8.818 1.00 0.00 C ATOM 986 C ALA A 63 -7.152 3.793 -9.895 1.00 0.00 C ATOM 987 O ALA A 63 -7.579 4.227 -10.963 1.00 0.00 O ATOM 988 CB ALA A 63 -8.519 4.548 -7.950 1.00 0.00 C ATOM 0 H ALA A 63 -7.659 2.425 -6.993 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.030 2.965 -9.324 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.887 5.355 -8.584 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.297 4.258 -7.244 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.641 4.889 -7.402 1.00 0.00 H new ATOM 994 N MET A 64 -5.843 3.711 -9.635 1.00 0.00 N ATOM 995 CA MET A 64 -4.846 4.006 -10.647 1.00 0.00 C ATOM 996 C MET A 64 -5.009 3.078 -11.853 1.00 0.00 C ATOM 997 O MET A 64 -4.855 3.511 -12.993 1.00 0.00 O ATOM 998 CB MET A 64 -3.446 3.843 -10.060 1.00 0.00 C ATOM 999 CG MET A 64 -3.153 4.719 -8.842 1.00 0.00 C ATOM 1000 SD MET A 64 -3.532 6.479 -9.022 1.00 0.00 S ATOM 1001 CE MET A 64 -2.838 7.092 -7.477 1.00 0.00 C ATOM 0 H MET A 64 -5.458 3.442 -8.730 1.00 0.00 H new ATOM 0 HA MET A 64 -4.985 5.036 -10.977 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.304 2.799 -9.781 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.714 4.068 -10.836 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.719 4.330 -7.995 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.097 4.619 -8.593 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.982 8.171 -7.416 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.339 6.611 -6.637 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.772 6.866 -7.442 1.00 0.00 H new ATOM 1011 N GLY A 65 -5.298 1.799 -11.592 1.00 0.00 N ATOM 1012 CA GLY A 65 -5.523 0.783 -12.610 1.00 0.00 C ATOM 1013 C GLY A 65 -4.906 -0.552 -12.203 1.00 0.00 C ATOM 1014 O GLY A 65 -5.236 -1.589 -12.771 1.00 0.00 O ATOM 0 H GLY A 65 -5.383 1.439 -10.641 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.594 0.658 -12.772 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.094 1.112 -13.557 1.00 0.00 H new ATOM 1018 N PHE A 66 -3.985 -0.528 -11.237 1.00 0.00 N ATOM 1019 CA PHE A 66 -3.174 -1.673 -10.862 1.00 0.00 C ATOM 1020 C PHE A 66 -3.948 -2.548 -9.873 1.00 0.00 C ATOM 1021 O PHE A 66 -4.140 -2.115 -8.737 1.00 0.00 O ATOM 1022 CB PHE A 66 -1.899 -1.138 -10.209 1.00 0.00 C ATOM 1023 CG PHE A 66 -1.171 -0.102 -11.043 1.00 0.00 C ATOM 1024 CD1 PHE A 66 -0.665 -0.427 -12.315 1.00 0.00 C ATOM 1025 CD2 PHE A 66 -1.106 1.225 -10.586 1.00 0.00 C ATOM 1026 CE1 PHE A 66 -0.132 0.583 -13.134 1.00 0.00 C ATOM 1027 CE2 PHE A 66 -0.573 2.233 -11.401 1.00 0.00 C ATOM 1028 CZ PHE A 66 -0.126 1.917 -12.692 1.00 0.00 C ATOM 0 H PHE A 66 -3.783 0.307 -10.687 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.928 -2.279 -11.734 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.153 -0.700 -9.244 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.225 -1.972 -10.013 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.686 -1.450 -12.661 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.470 1.470 -9.599 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.273 0.334 -14.104 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.507 3.248 -11.037 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.224 2.700 -13.348 1.00 0.00 H new ATOM 1038 N PRO A 67 -4.392 -3.758 -10.247 1.00 0.00 N ATOM 1039 CA PRO A 67 -5.099 -4.618 -9.316 1.00 0.00 C ATOM 1040 C PRO A 67 -4.130 -5.031 -8.207 1.00 0.00 C ATOM 1041 O PRO A 67 -2.948 -5.253 -8.482 1.00 0.00 O ATOM 1042 CB PRO A 67 -5.580 -5.808 -10.149 1.00 0.00 C ATOM 1043 CG PRO A 67 -4.515 -5.915 -11.240 1.00 0.00 C ATOM 1044 CD PRO A 67 -4.118 -4.459 -11.492 1.00 0.00 C ATOM 0 HA PRO A 67 -5.949 -4.138 -8.830 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.641 -6.719 -9.554 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.571 -5.634 -10.568 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.664 -6.513 -10.914 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -4.908 -6.386 -12.141 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.065 -4.381 -11.762 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.691 -4.033 -12.316 1.00 0.00 H new ATOM 1052 N ALA A 68 -4.614 -5.104 -6.960 1.00 0.00 N ATOM 1053 CA ALA A 68 -3.775 -5.416 -5.815 1.00 0.00 C ATOM 1054 C ALA A 68 -4.485 -6.342 -4.827 1.00 0.00 C ATOM 1055 O ALA A 68 -5.653 -6.129 -4.509 1.00 0.00 O ATOM 1056 CB ALA A 68 -3.316 -4.136 -5.126 1.00 0.00 C ATOM 0 H ALA A 68 -5.594 -4.948 -6.726 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.897 -5.948 -6.183 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.689 -4.388 -4.271 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.745 -3.529 -5.829 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.186 -3.574 -4.785 1.00 0.00 H new ATOM 1062 N PHE A 69 -3.776 -7.358 -4.324 1.00 0.00 N ATOM 1063 CA PHE A 69 -4.335 -8.401 -3.471 1.00 0.00 C ATOM 1064 C PHE A 69 -3.852 -8.215 -2.039 1.00 0.00 C ATOM 1065 O PHE A 69 -2.944 -8.920 -1.601 1.00 0.00 O ATOM 1066 CB PHE A 69 -3.953 -9.779 -4.008 1.00 0.00 C ATOM 1067 CG PHE A 69 -4.858 -10.315 -5.094 1.00 0.00 C ATOM 1068 CD1 PHE A 69 -6.098 -10.880 -4.741 1.00 0.00 C ATOM 1069 CD2 PHE A 69 -4.440 -10.324 -6.438 1.00 0.00 C ATOM 1070 CE1 PHE A 69 -6.906 -11.478 -5.722 1.00 0.00 C ATOM 1071 CE2 PHE A 69 -5.249 -10.925 -7.419 1.00 0.00 C ATOM 1072 CZ PHE A 69 -6.477 -11.509 -7.060 1.00 0.00 C ATOM 0 H PHE A 69 -2.779 -7.477 -4.504 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.422 -8.327 -3.476 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.935 -9.732 -4.395 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.947 -10.487 -3.179 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.429 -10.854 -3.713 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.500 -9.870 -6.715 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.856 -11.913 -5.448 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -4.927 -10.938 -8.450 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.091 -11.981 -7.813 1.00 0.00 H new ATOM 1082 N VAL A 70 -4.474 -7.273 -1.330 1.00 0.00 N ATOM 1083 CA VAL A 70 -4.239 -6.968 0.078 1.00 0.00 C ATOM 1084 C VAL A 70 -4.663 -8.119 0.995 1.00 0.00 C ATOM 1085 O VAL A 70 -5.851 -8.307 1.242 1.00 0.00 O ATOM 1086 CB VAL A 70 -4.828 -5.592 0.408 1.00 0.00 C ATOM 1087 CG1 VAL A 70 -6.345 -5.546 0.343 1.00 0.00 C ATOM 1088 CG2 VAL A 70 -4.315 -5.086 1.758 1.00 0.00 C ATOM 0 H VAL A 70 -5.189 -6.674 -1.743 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.170 -6.886 0.274 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.478 -4.919 -0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.689 -4.541 0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.674 -5.807 -0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.761 -6.257 1.057 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.748 -4.108 1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.602 -5.786 2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.229 -5.003 1.726 1.00 0.00 H new ATOM 1098 N LYS A 71 -3.703 -8.920 1.480 1.00 0.00 N ATOM 1099 CA LYS A 71 -4.002 -10.039 2.359 1.00 0.00 C ATOM 1100 C LYS A 71 -2.819 -10.472 3.236 1.00 0.00 C ATOM 1101 O LYS A 71 -2.430 -11.640 3.240 1.00 0.00 O ATOM 1102 CB LYS A 71 -4.610 -11.183 1.553 1.00 0.00 C ATOM 1103 CG LYS A 71 -3.668 -11.634 0.450 1.00 0.00 C ATOM 1104 CD LYS A 71 -4.301 -12.799 -0.324 1.00 0.00 C ATOM 1105 CE LYS A 71 -3.277 -13.513 -1.216 1.00 0.00 C ATOM 1106 NZ LYS A 71 -3.877 -14.654 -1.941 1.00 0.00 N ATOM 0 H LYS A 71 -2.711 -8.805 1.272 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.745 -9.702 3.081 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.829 -12.022 2.214 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.557 -10.863 1.119 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.461 -10.805 -0.226 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.714 -11.943 0.877 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.730 -13.512 0.380 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.120 -12.425 -0.938 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.864 -12.804 -1.933 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.447 -13.867 -0.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.153 -15.109 -2.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.249 -15.343 -1.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.652 -14.313 -2.545 1.00 0.00 H new ATOM 1120 N LYS A 72 -2.266 -9.556 4.029 1.00 0.00 N ATOM 1121 CA LYS A 72 -1.330 -9.904 5.089 1.00 0.00 C ATOM 1122 C LYS A 72 -1.347 -8.757 6.089 1.00 0.00 C ATOM 1123 O LYS A 72 -1.222 -7.622 5.644 1.00 0.00 O ATOM 1124 CB LYS A 72 0.074 -10.079 4.502 1.00 0.00 C ATOM 1125 CG LYS A 72 1.021 -10.810 5.463 1.00 0.00 C ATOM 1126 CD LYS A 72 1.431 -12.175 4.901 1.00 0.00 C ATOM 1127 CE LYS A 72 2.555 -12.017 3.870 1.00 0.00 C ATOM 1128 NZ LYS A 72 3.018 -13.329 3.381 1.00 0.00 N ATOM 0 H LYS A 72 -2.455 -8.557 3.953 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.610 -10.840 5.573 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.008 -10.636 3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.489 -9.100 4.261 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.909 -10.202 5.635 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.533 -10.942 6.429 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.762 -12.824 5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.570 -12.657 4.438 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.201 -11.417 3.031 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.390 -11.478 4.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.778 -13.191 2.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.377 -13.890 4.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.226 -13.832 2.933 1.00 0.00 H new ATOM 1142 N ILE A 73 -1.506 -9.032 7.386 1.00 0.00 N ATOM 1143 CA ILE A 73 -1.577 -8.022 8.443 1.00 0.00 C ATOM 1144 C ILE A 73 -0.432 -8.313 9.424 1.00 0.00 C ATOM 1145 O ILE A 73 -0.650 -8.662 10.582 1.00 0.00 O ATOM 1146 CB ILE A 73 -2.985 -8.039 9.086 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -4.067 -7.806 8.008 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -3.137 -6.946 10.160 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -5.494 -8.011 8.519 1.00 0.00 C ATOM 0 H ILE A 73 -1.591 -9.986 7.738 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.446 -7.008 8.065 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.109 -9.016 9.552 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.971 -6.791 7.622 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.888 -8.483 7.173 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.139 -6.992 10.587 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.400 -7.104 10.947 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.980 -5.967 9.707 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.200 -7.831 7.709 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.608 -9.034 8.879 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.692 -7.315 9.334 1.00 0.00 H new