USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 687 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: p 20 LYS NZ :NH3+ 151:sc= -1.07 (180deg=0) USER MOD Set 1.2: p 27 LYS NZ :NH3+ 169:sc= -1.03 (180deg=0) USER MOD Set 2.1: p 1 MET N :NH3+ 169:sc= 1.99 (180deg=0.919) USER MOD Set 2.2: p 2 GLN :FLIP amide:sc= 0.681 F(o=-10!,f=2.7) USER MOD Single : p 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : p 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 11 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.1!) USER MOD Single : p 16 GLN : amide:sc= 0 X(o=0,f=0.28) USER MOD Single : p 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 33 ASN : amide:sc= -0.229 K(o=-0.23,f=-0.92) USER MOD Single : p 34 CYS SG : rot 180:sc= 0 USER MOD Single : p 36 CYS SG : rot 180:sc= 0 USER MOD Single : p 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 41 CYS SG : rot 100:sc= -3.96! USER MOD Single : p 42 SER OG : rot 180:sc= 0 USER MOD Single : p 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : p 48 TYR OH : rot 180:sc= 0 USER MOD Single : p 49 SER OG : rot 180:sc= 0 USER MOD Single : p 51 GLN : amide:sc= -0.0128 K(o=-0.013,f=-1.5) USER MOD Single : p 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET p 1 -7.232 24.297 3.993 1.00 0.00 N ATOM 2 CA MET p 1 -6.784 23.510 2.810 1.00 0.00 C ATOM 3 C MET p 1 -5.554 22.645 3.138 1.00 0.00 C ATOM 4 O MET p 1 -4.916 22.087 2.239 1.00 0.00 O ATOM 5 CB MET p 1 -6.472 24.454 1.639 1.00 0.00 C ATOM 6 CG MET p 1 -7.708 25.003 0.941 1.00 0.00 C ATOM 7 SD MET p 1 -8.706 26.057 2.010 1.00 0.00 S ATOM 8 CE MET p 1 -10.022 26.526 0.889 1.00 0.00 C ATOM 0 H1 MET p 1 -7.937 25.001 3.695 1.00 0.00 H new ATOM 0 H2 MET p 1 -7.657 23.658 4.695 1.00 0.00 H new ATOM 0 H3 MET p 1 -6.415 24.782 4.417 1.00 0.00 H new ATOM 0 HA MET p 1 -7.595 22.839 2.527 1.00 0.00 H new ATOM 0 HB2 MET p 1 -5.875 25.288 2.007 1.00 0.00 H new ATOM 0 HB3 MET p 1 -5.861 23.922 0.909 1.00 0.00 H new ATOM 0 HG2 MET p 1 -7.401 25.571 0.063 1.00 0.00 H new ATOM 0 HG3 MET p 1 -8.318 24.172 0.586 1.00 0.00 H new ATOM 0 HE1 MET p 1 -10.723 27.181 1.405 1.00 0.00 H new ATOM 0 HE2 MET p 1 -9.600 27.050 0.031 1.00 0.00 H new ATOM 0 HE3 MET p 1 -10.544 25.633 0.547 1.00 0.00 H new ATOM 20 N GLN p 2 -5.228 22.546 4.428 1.00 0.00 N ATOM 21 CA GLN p 2 -4.105 21.759 4.905 1.00 0.00 C ATOM 22 C GLN p 2 -4.580 20.614 5.814 1.00 0.00 C ATOM 23 O GLN p 2 -3.785 19.797 6.277 1.00 0.00 O ATOM 24 CB GLN p 2 -3.129 22.660 5.679 1.00 0.00 C ATOM 25 CG GLN p 2 -3.753 23.889 6.344 1.00 0.00 C ATOM 26 CD GLN p 2 -3.630 25.138 5.491 1.00 0.00 C ATOM 27 OE1 GLN p 2 -4.619 25.372 4.637 1.00 0.00 O flip ATOM 28 NE2 GLN p 2 -2.657 25.883 5.598 1.00 0.00 N flip ATOM 0 H GLN p 2 -5.744 23.016 5.172 1.00 0.00 H new ATOM 0 HA GLN p 2 -3.600 21.327 4.041 1.00 0.00 H new ATOM 0 HB2 GLN p 2 -2.641 22.061 6.448 1.00 0.00 H new ATOM 0 HB3 GLN p 2 -2.350 22.995 4.994 1.00 0.00 H new ATOM 0 HG2 GLN p 2 -4.806 23.693 6.546 1.00 0.00 H new ATOM 0 HG3 GLN p 2 -3.271 24.061 7.306 1.00 0.00 H new ATOM 0 HE21 GLN p 2 -1.919 25.665 6.268 1.00 0.00 H new ATOM 0 HE22 GLN p 2 -2.588 26.719 5.017 1.00 0.00 H new ATOM 37 N ALA p 3 -5.888 20.560 6.036 1.00 0.00 N ATOM 38 CA ALA p 3 -6.502 19.566 6.918 1.00 0.00 C ATOM 39 C ALA p 3 -6.930 18.322 6.162 1.00 0.00 C ATOM 40 O ALA p 3 -6.767 17.206 6.642 1.00 0.00 O ATOM 41 CB ALA p 3 -7.681 20.176 7.665 1.00 0.00 C ATOM 0 H ALA p 3 -6.556 21.203 5.611 1.00 0.00 H new ATOM 0 HA ALA p 3 -5.747 19.258 7.642 1.00 0.00 H new ATOM 0 HB1 ALA p 3 -8.127 19.425 8.317 1.00 0.00 H new ATOM 0 HB2 ALA p 3 -7.335 21.018 8.265 1.00 0.00 H new ATOM 0 HB3 ALA p 3 -8.426 20.523 6.948 1.00 0.00 H new ATOM 47 N LEU p 4 -7.530 18.565 5.005 1.00 0.00 N ATOM 48 CA LEU p 4 -8.038 17.557 4.114 1.00 0.00 C ATOM 49 C LEU p 4 -7.009 17.248 3.042 1.00 0.00 C ATOM 50 O LEU p 4 -6.552 16.119 2.897 1.00 0.00 O ATOM 51 CB LEU p 4 -9.333 18.087 3.497 1.00 0.00 C ATOM 52 CG LEU p 4 -10.361 17.053 3.063 1.00 0.00 C ATOM 53 CD1 LEU p 4 -11.673 17.757 2.821 1.00 0.00 C ATOM 54 CD2 LEU p 4 -9.905 16.332 1.806 1.00 0.00 C ATOM 0 H LEU p 4 -7.677 19.512 4.656 1.00 0.00 H new ATOM 0 HA LEU p 4 -8.240 16.631 4.652 1.00 0.00 H new ATOM 0 HB2 LEU p 4 -9.805 18.753 4.219 1.00 0.00 H new ATOM 0 HB3 LEU p 4 -9.072 18.692 2.629 1.00 0.00 H new ATOM 0 HG LEU p 4 -10.479 16.304 3.846 1.00 0.00 H new ATOM 0 HD11 LEU p 4 -12.423 17.031 2.509 1.00 0.00 H new ATOM 0 HD12 LEU p 4 -12.000 18.244 3.740 1.00 0.00 H new ATOM 0 HD13 LEU p 4 -11.545 18.506 2.039 1.00 0.00 H new ATOM 0 HD21 LEU p 4 -10.656 15.598 1.515 1.00 0.00 H new ATOM 0 HD22 LEU p 4 -9.772 17.054 1.000 1.00 0.00 H new ATOM 0 HD23 LEU p 4 -8.959 15.826 2.000 1.00 0.00 H new ATOM 66 N GLU p 5 -6.672 18.306 2.300 1.00 0.00 N ATOM 67 CA GLU p 5 -5.705 18.273 1.185 1.00 0.00 C ATOM 68 C GLU p 5 -4.336 17.784 1.620 1.00 0.00 C ATOM 69 O GLU p 5 -3.623 17.159 0.840 1.00 0.00 O ATOM 70 CB GLU p 5 -5.550 19.658 0.547 1.00 0.00 C ATOM 71 CG GLU p 5 -6.822 20.486 0.547 1.00 0.00 C ATOM 72 CD GLU p 5 -7.210 20.975 -0.835 1.00 0.00 C ATOM 73 OE1 GLU p 5 -6.758 22.072 -1.225 1.00 0.00 O ATOM 74 OE2 GLU p 5 -7.965 20.259 -1.527 1.00 0.00 O ATOM 0 H GLU p 5 -7.069 19.232 2.456 1.00 0.00 H new ATOM 0 HA GLU p 5 -6.110 17.570 0.457 1.00 0.00 H new ATOM 0 HB2 GLU p 5 -4.772 20.206 1.079 1.00 0.00 H new ATOM 0 HB3 GLU p 5 -5.208 19.537 -0.481 1.00 0.00 H new ATOM 0 HG2 GLU p 5 -7.637 19.890 0.958 1.00 0.00 H new ATOM 0 HG3 GLU p 5 -6.691 21.344 1.206 1.00 0.00 H new ATOM 81 N LYS p 6 -3.989 18.093 2.865 1.00 0.00 N ATOM 82 CA LYS p 6 -2.709 17.680 3.447 1.00 0.00 C ATOM 83 C LYS p 6 -2.867 16.365 4.197 1.00 0.00 C ATOM 84 O LYS p 6 -1.883 15.759 4.604 1.00 0.00 O ATOM 85 CB LYS p 6 -2.124 18.750 4.352 1.00 0.00 C ATOM 86 CG LYS p 6 -1.239 19.749 3.616 1.00 0.00 C ATOM 87 CD LYS p 6 -0.421 20.589 4.582 1.00 0.00 C ATOM 88 CE LYS p 6 0.385 21.651 3.850 1.00 0.00 C ATOM 89 NZ LYS p 6 1.191 22.481 4.787 1.00 0.00 N ATOM 0 H LYS p 6 -4.579 18.633 3.498 1.00 0.00 H new ATOM 0 HA LYS p 6 -2.006 17.535 2.626 1.00 0.00 H new ATOM 0 HB2 LYS p 6 -2.937 19.287 4.840 1.00 0.00 H new ATOM 0 HB3 LYS p 6 -1.541 18.271 5.139 1.00 0.00 H new ATOM 0 HG2 LYS p 6 -0.570 19.215 2.941 1.00 0.00 H new ATOM 0 HG3 LYS p 6 -1.859 20.401 3.001 1.00 0.00 H new ATOM 0 HD2 LYS p 6 -1.085 21.067 5.303 1.00 0.00 H new ATOM 0 HD3 LYS p 6 0.252 19.944 5.147 1.00 0.00 H new ATOM 0 HE2 LYS p 6 1.047 21.171 3.129 1.00 0.00 H new ATOM 0 HE3 LYS p 6 -0.290 22.294 3.285 1.00 0.00 H new ATOM 0 HZ1 LYS p 6 1.725 23.192 4.249 1.00 0.00 H new ATOM 0 HZ2 LYS p 6 0.558 22.959 5.460 1.00 0.00 H new ATOM 0 HZ3 LYS p 6 1.853 21.872 5.308 1.00 0.00 H new ATOM 103 N GLU p 7 -4.130 15.970 4.392 1.00 0.00 N ATOM 104 CA GLU p 7 -4.506 14.697 5.005 1.00 0.00 C ATOM 105 C GLU p 7 -4.588 13.682 3.868 1.00 0.00 C ATOM 106 O GLU p 7 -4.486 12.472 4.055 1.00 0.00 O ATOM 107 CB GLU p 7 -5.850 14.862 5.720 1.00 0.00 C ATOM 108 CG GLU p 7 -6.743 13.632 5.735 1.00 0.00 C ATOM 109 CD GLU p 7 -7.021 13.123 7.136 1.00 0.00 C ATOM 110 OE1 GLU p 7 -6.237 12.285 7.630 1.00 0.00 O ATOM 111 OE2 GLU p 7 -8.023 13.562 7.740 1.00 0.00 O ATOM 0 H GLU p 7 -4.932 16.539 4.122 1.00 0.00 H new ATOM 0 HA GLU p 7 -3.785 14.362 5.751 1.00 0.00 H new ATOM 0 HB2 GLU p 7 -5.658 15.162 6.750 1.00 0.00 H new ATOM 0 HB3 GLU p 7 -6.395 15.679 5.246 1.00 0.00 H new ATOM 0 HG2 GLU p 7 -7.688 13.869 5.246 1.00 0.00 H new ATOM 0 HG3 GLU p 7 -6.272 12.840 5.153 1.00 0.00 H new ATOM 118 N LEU p 8 -4.792 14.275 2.695 1.00 0.00 N ATOM 119 CA LEU p 8 -4.876 13.633 1.410 1.00 0.00 C ATOM 120 C LEU p 8 -3.474 13.613 0.826 1.00 0.00 C ATOM 121 O LEU p 8 -3.123 12.738 0.044 1.00 0.00 O ATOM 122 CB LEU p 8 -5.846 14.439 0.523 1.00 0.00 C ATOM 123 CG LEU p 8 -5.557 14.458 -0.981 1.00 0.00 C ATOM 124 CD1 LEU p 8 -5.792 13.087 -1.563 1.00 0.00 C ATOM 125 CD2 LEU p 8 -6.404 15.507 -1.674 1.00 0.00 C ATOM 0 H LEU p 8 -4.909 15.286 2.625 1.00 0.00 H new ATOM 0 HA LEU p 8 -5.252 12.612 1.481 1.00 0.00 H new ATOM 0 HB2 LEU p 8 -6.850 14.041 0.670 1.00 0.00 H new ATOM 0 HB3 LEU p 8 -5.855 15.469 0.880 1.00 0.00 H new ATOM 0 HG LEU p 8 -4.512 14.724 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU p 8 -5.585 13.106 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU p 8 -5.132 12.368 -1.078 1.00 0.00 H new ATOM 0 HD13 LEU p 8 -6.829 12.795 -1.399 1.00 0.00 H new ATOM 0 HD21 LEU p 8 -6.184 15.505 -2.742 1.00 0.00 H new ATOM 0 HD22 LEU p 8 -7.459 15.282 -1.520 1.00 0.00 H new ATOM 0 HD23 LEU p 8 -6.178 16.489 -1.259 1.00 0.00 H new ATOM 137 N ALA p 9 -2.728 14.655 1.205 1.00 0.00 N ATOM 138 CA ALA p 9 -1.316 14.817 0.846 1.00 0.00 C ATOM 139 C ALA p 9 -0.501 13.994 1.830 1.00 0.00 C ATOM 140 O ALA p 9 0.659 13.651 1.587 1.00 0.00 O ATOM 141 CB ALA p 9 -0.865 16.269 0.859 1.00 0.00 C ATOM 0 H ALA p 9 -3.092 15.418 1.776 1.00 0.00 H new ATOM 0 HA ALA p 9 -1.168 14.473 -0.178 1.00 0.00 H new ATOM 0 HB1 ALA p 9 0.189 16.325 0.585 1.00 0.00 H new ATOM 0 HB2 ALA p 9 -1.457 16.840 0.144 1.00 0.00 H new ATOM 0 HB3 ALA p 9 -1.003 16.684 1.857 1.00 0.00 H new ATOM 147 N GLN p 10 -1.168 13.697 2.957 1.00 0.00 N ATOM 148 CA GLN p 10 -0.640 12.854 4.009 1.00 0.00 C ATOM 149 C GLN p 10 -1.073 11.442 3.673 1.00 0.00 C ATOM 150 O GLN p 10 -0.402 10.487 4.015 1.00 0.00 O ATOM 151 CB GLN p 10 -1.175 13.312 5.370 1.00 0.00 C ATOM 152 CG GLN p 10 -1.389 12.214 6.399 1.00 0.00 C ATOM 153 CD GLN p 10 -0.438 12.314 7.575 1.00 0.00 C ATOM 154 OE1 GLN p 10 -0.738 12.963 8.577 1.00 0.00 O ATOM 155 NE2 GLN p 10 0.717 11.670 7.458 1.00 0.00 N ATOM 0 H GLN p 10 -2.105 14.049 3.153 1.00 0.00 H new ATOM 0 HA GLN p 10 0.447 12.910 4.075 1.00 0.00 H new ATOM 0 HB2 GLN p 10 -0.481 14.043 5.785 1.00 0.00 H new ATOM 0 HB3 GLN p 10 -2.123 13.826 5.212 1.00 0.00 H new ATOM 0 HG2 GLN p 10 -2.415 12.260 6.763 1.00 0.00 H new ATOM 0 HG3 GLN p 10 -1.264 11.244 5.919 1.00 0.00 H new ATOM 0 HE21 GLN p 10 0.924 11.144 6.609 1.00 0.00 H new ATOM 0 HE22 GLN p 10 1.397 11.701 8.217 1.00 0.00 H new ATOM 164 N ASN p 11 -2.224 11.380 2.982 1.00 0.00 N ATOM 165 CA ASN p 11 -2.823 10.140 2.474 1.00 0.00 C ATOM 166 C ASN p 11 -2.116 9.809 1.180 1.00 0.00 C ATOM 167 O ASN p 11 -2.166 8.684 0.689 1.00 0.00 O ATOM 168 CB ASN p 11 -4.329 10.278 2.228 1.00 0.00 C ATOM 169 CG ASN p 11 -5.081 8.961 2.364 1.00 0.00 C ATOM 170 OD1 ASN p 11 -4.744 8.113 3.194 1.00 0.00 O ATOM 171 ND2 ASN p 11 -6.109 8.783 1.542 1.00 0.00 N ATOM 0 H ASN p 11 -2.773 12.210 2.758 1.00 0.00 H new ATOM 0 HA ASN p 11 -2.705 9.349 3.215 1.00 0.00 H new ATOM 0 HB2 ASN p 11 -4.741 10.999 2.934 1.00 0.00 H new ATOM 0 HB3 ASN p 11 -4.492 10.681 1.228 1.00 0.00 H new ATOM 0 HD21 ASN p 11 -6.652 7.920 1.583 1.00 0.00 H new ATOM 0 HD22 ASN p 11 -6.356 9.509 0.869 1.00 0.00 H new ATOM 178 N GLU p 12 -1.480 10.861 0.641 1.00 0.00 N ATOM 179 CA GLU p 12 -0.656 10.813 -0.519 1.00 0.00 C ATOM 180 C GLU p 12 0.691 10.355 -0.026 1.00 0.00 C ATOM 181 O GLU p 12 1.433 9.682 -0.711 1.00 0.00 O ATOM 182 CB GLU p 12 -0.565 12.213 -1.063 1.00 0.00 C ATOM 183 CG GLU p 12 0.266 12.332 -2.292 1.00 0.00 C ATOM 184 CD GLU p 12 -0.512 12.802 -3.505 1.00 0.00 C ATOM 185 OE1 GLU p 12 -1.059 11.943 -4.229 1.00 0.00 O ATOM 186 OE2 GLU p 12 -0.574 14.028 -3.732 1.00 0.00 O ATOM 0 H GLU p 12 -1.546 11.798 1.039 1.00 0.00 H new ATOM 0 HA GLU p 12 -1.033 10.153 -1.300 1.00 0.00 H new ATOM 0 HB2 GLU p 12 -1.570 12.573 -1.280 1.00 0.00 H new ATOM 0 HB3 GLU p 12 -0.152 12.865 -0.293 1.00 0.00 H new ATOM 0 HG2 GLU p 12 1.083 13.028 -2.102 1.00 0.00 H new ATOM 0 HG3 GLU p 12 0.716 11.364 -2.512 1.00 0.00 H new ATOM 193 N TRP p 13 0.945 10.809 1.195 1.00 0.00 N ATOM 194 CA TRP p 13 2.137 10.480 1.978 1.00 0.00 C ATOM 195 C TRP p 13 1.942 9.114 2.634 1.00 0.00 C ATOM 196 O TRP p 13 2.904 8.495 3.070 1.00 0.00 O ATOM 197 CB TRP p 13 2.420 11.550 3.036 1.00 0.00 C ATOM 198 CG TRP p 13 3.870 11.646 3.423 1.00 0.00 C ATOM 199 CD1 TRP p 13 4.475 11.024 4.476 1.00 0.00 C ATOM 200 CD2 TRP p 13 4.895 12.409 2.765 1.00 0.00 C ATOM 201 NE1 TRP p 13 5.808 11.349 4.517 1.00 0.00 N ATOM 202 CE2 TRP p 13 6.091 12.197 3.479 1.00 0.00 C ATOM 203 CE3 TRP p 13 4.922 13.249 1.644 1.00 0.00 C ATOM 204 CZ2 TRP p 13 7.295 12.792 3.108 1.00 0.00 C ATOM 205 CZ3 TRP p 13 6.117 13.838 1.280 1.00 0.00 C ATOM 206 CH2 TRP p 13 7.290 13.607 2.010 1.00 0.00 C ATOM 0 H TRP p 13 0.309 11.437 1.686 1.00 0.00 H new ATOM 0 HA TRP p 13 2.999 10.446 1.312 1.00 0.00 H new ATOM 0 HB2 TRP p 13 2.088 12.518 2.660 1.00 0.00 H new ATOM 0 HB3 TRP p 13 1.829 11.334 3.926 1.00 0.00 H new ATOM 0 HD1 TRP p 13 3.977 10.370 5.176 1.00 0.00 H new ATOM 0 HE1 TRP p 13 6.479 11.014 5.208 1.00 0.00 H new ATOM 0 HE3 TRP p 13 4.023 13.433 1.074 1.00 0.00 H new ATOM 0 HZ2 TRP p 13 8.201 12.616 3.668 1.00 0.00 H new ATOM 0 HZ3 TRP p 13 6.148 14.488 0.418 1.00 0.00 H new ATOM 0 HH2 TRP p 13 8.209 14.082 1.699 1.00 0.00 H new ATOM 217 N GLU p 14 0.663 8.696 2.726 1.00 0.00 N ATOM 218 CA GLU p 14 0.282 7.357 3.234 1.00 0.00 C ATOM 219 C GLU p 14 0.241 6.467 2.032 1.00 0.00 C ATOM 220 O GLU p 14 0.265 5.242 2.118 1.00 0.00 O ATOM 221 CB GLU p 14 -1.079 7.317 3.918 1.00 0.00 C ATOM 222 CG GLU p 14 -1.192 8.317 5.028 1.00 0.00 C ATOM 223 CD GLU p 14 -1.801 7.746 6.294 1.00 0.00 C ATOM 224 OE1 GLU p 14 -1.039 7.234 7.141 1.00 0.00 O ATOM 225 OE2 GLU p 14 -3.040 7.812 6.440 1.00 0.00 O ATOM 0 H GLU p 14 -0.133 9.272 2.452 1.00 0.00 H new ATOM 0 HA GLU p 14 1.003 7.050 3.992 1.00 0.00 H new ATOM 0 HB2 GLU p 14 -1.859 7.508 3.180 1.00 0.00 H new ATOM 0 HB3 GLU p 14 -1.254 6.317 4.315 1.00 0.00 H new ATOM 0 HG2 GLU p 14 -0.201 8.710 5.256 1.00 0.00 H new ATOM 0 HG3 GLU p 14 -1.798 9.158 4.689 1.00 0.00 H new ATOM 232 N LEU p 15 0.121 7.173 0.913 1.00 0.00 N ATOM 233 CA LEU p 15 0.145 6.614 -0.426 1.00 0.00 C ATOM 234 C LEU p 15 1.613 6.434 -0.785 1.00 0.00 C ATOM 235 O LEU p 15 2.006 5.445 -1.375 1.00 0.00 O ATOM 236 CB LEU p 15 -0.529 7.578 -1.398 1.00 0.00 C ATOM 237 CG LEU p 15 -0.999 7.045 -2.750 1.00 0.00 C ATOM 238 CD1 LEU p 15 -1.683 8.180 -3.465 1.00 0.00 C ATOM 239 CD2 LEU p 15 0.159 6.525 -3.590 1.00 0.00 C ATOM 0 H LEU p 15 0.000 8.186 0.918 1.00 0.00 H new ATOM 0 HA LEU p 15 -0.389 5.665 -0.479 1.00 0.00 H new ATOM 0 HB2 LEU p 15 -1.394 8.006 -0.892 1.00 0.00 H new ATOM 0 HB3 LEU p 15 0.166 8.396 -1.588 1.00 0.00 H new ATOM 0 HG LEU p 15 -1.676 6.206 -2.594 1.00 0.00 H new ATOM 0 HD11 LEU p 15 -2.034 7.838 -4.438 1.00 0.00 H new ATOM 0 HD12 LEU p 15 -2.531 8.524 -2.874 1.00 0.00 H new ATOM 0 HD13 LEU p 15 -0.979 9.001 -3.601 1.00 0.00 H new ATOM 0 HD21 LEU p 15 -0.220 6.156 -4.543 1.00 0.00 H new ATOM 0 HD22 LEU p 15 0.869 7.332 -3.770 1.00 0.00 H new ATOM 0 HD23 LEU p 15 0.658 5.714 -3.059 1.00 0.00 H new ATOM 251 N GLN p 16 2.385 7.456 -0.401 1.00 0.00 N ATOM 252 CA GLN p 16 3.860 7.497 -0.546 1.00 0.00 C ATOM 253 C GLN p 16 4.427 6.550 0.462 1.00 0.00 C ATOM 254 O GLN p 16 5.515 6.022 0.303 1.00 0.00 O ATOM 255 CB GLN p 16 4.434 8.884 -0.270 1.00 0.00 C ATOM 256 CG GLN p 16 3.873 9.937 -1.176 1.00 0.00 C ATOM 257 CD GLN p 16 4.937 10.721 -1.921 1.00 0.00 C ATOM 258 OE1 GLN p 16 5.419 11.747 -1.441 1.00 0.00 O ATOM 259 NE2 GLN p 16 5.308 10.239 -3.101 1.00 0.00 N ATOM 0 H GLN p 16 2.003 8.299 0.029 1.00 0.00 H new ATOM 0 HA GLN p 16 4.118 7.231 -1.571 1.00 0.00 H new ATOM 0 HB2 GLN p 16 4.231 9.157 0.766 1.00 0.00 H new ATOM 0 HB3 GLN p 16 5.518 8.853 -0.384 1.00 0.00 H new ATOM 0 HG2 GLN p 16 3.206 9.466 -1.899 1.00 0.00 H new ATOM 0 HG3 GLN p 16 3.269 10.628 -0.588 1.00 0.00 H new ATOM 0 HE21 GLN p 16 4.881 9.385 -3.460 1.00 0.00 H new ATOM 0 HE22 GLN p 16 6.020 10.723 -3.649 1.00 0.00 H new ATOM 268 N ALA p 17 3.642 6.422 1.528 1.00 0.00 N ATOM 269 CA ALA p 17 3.910 5.486 2.628 1.00 0.00 C ATOM 270 C ALA p 17 3.380 4.130 2.216 1.00 0.00 C ATOM 271 O ALA p 17 3.739 3.109 2.795 1.00 0.00 O ATOM 272 CB ALA p 17 3.294 5.917 3.949 1.00 0.00 C ATOM 0 H ALA p 17 2.791 6.969 1.659 1.00 0.00 H new ATOM 0 HA ALA p 17 4.986 5.458 2.802 1.00 0.00 H new ATOM 0 HB1 ALA p 17 3.530 5.181 4.718 1.00 0.00 H new ATOM 0 HB2 ALA p 17 3.697 6.887 4.239 1.00 0.00 H new ATOM 0 HB3 ALA p 17 2.212 5.992 3.839 1.00 0.00 H new ATOM 278 N LEU p 18 2.474 4.173 1.220 1.00 0.00 N ATOM 279 CA LEU p 18 1.901 2.998 0.591 1.00 0.00 C ATOM 280 C LEU p 18 2.861 2.564 -0.508 1.00 0.00 C ATOM 281 O LEU p 18 3.023 1.383 -0.787 1.00 0.00 O ATOM 282 CB LEU p 18 0.519 3.332 0.015 1.00 0.00 C ATOM 283 CG LEU p 18 0.021 2.468 -1.140 1.00 0.00 C ATOM 284 CD1 LEU p 18 -0.171 1.051 -0.668 1.00 0.00 C ATOM 285 CD2 LEU p 18 -1.256 3.053 -1.705 1.00 0.00 C ATOM 0 H LEU p 18 2.122 5.049 0.833 1.00 0.00 H new ATOM 0 HA LEU p 18 1.766 2.192 1.312 1.00 0.00 H new ATOM 0 HB2 LEU p 18 -0.209 3.268 0.824 1.00 0.00 H new ATOM 0 HB3 LEU p 18 0.534 4.369 -0.320 1.00 0.00 H new ATOM 0 HG LEU p 18 0.761 2.455 -1.940 1.00 0.00 H new ATOM 0 HD11 LEU p 18 -0.527 0.437 -1.495 1.00 0.00 H new ATOM 0 HD12 LEU p 18 0.778 0.657 -0.305 1.00 0.00 H new ATOM 0 HD13 LEU p 18 -0.904 1.032 0.139 1.00 0.00 H new ATOM 0 HD21 LEU p 18 -1.607 2.432 -2.529 1.00 0.00 H new ATOM 0 HD22 LEU p 18 -2.017 3.086 -0.926 1.00 0.00 H new ATOM 0 HD23 LEU p 18 -1.064 4.063 -2.068 1.00 0.00 H new ATOM 297 N GLU p 19 3.454 3.585 -1.131 1.00 0.00 N ATOM 298 CA GLU p 19 4.485 3.423 -2.176 1.00 0.00 C ATOM 299 C GLU p 19 5.762 3.072 -1.472 1.00 0.00 C ATOM 300 O GLU p 19 6.646 2.435 -2.025 1.00 0.00 O ATOM 301 CB GLU p 19 4.715 4.692 -2.999 1.00 0.00 C ATOM 302 CG GLU p 19 3.451 5.261 -3.588 1.00 0.00 C ATOM 303 CD GLU p 19 3.519 5.434 -5.092 1.00 0.00 C ATOM 304 OE1 GLU p 19 3.947 6.516 -5.547 1.00 0.00 O ATOM 305 OE2 GLU p 19 3.143 4.488 -5.816 1.00 0.00 O ATOM 0 H GLU p 19 3.234 4.560 -0.927 1.00 0.00 H new ATOM 0 HA GLU p 19 4.154 2.654 -2.873 1.00 0.00 H new ATOM 0 HB2 GLU p 19 5.184 5.446 -2.367 1.00 0.00 H new ATOM 0 HB3 GLU p 19 5.415 4.472 -3.805 1.00 0.00 H new ATOM 0 HG2 GLU p 19 2.616 4.606 -3.341 1.00 0.00 H new ATOM 0 HG3 GLU p 19 3.245 6.227 -3.126 1.00 0.00 H new ATOM 312 N LYS p 20 5.823 3.582 -0.241 1.00 0.00 N ATOM 313 CA LYS p 20 6.914 3.321 0.700 1.00 0.00 C ATOM 314 C LYS p 20 6.642 2.005 1.412 1.00 0.00 C ATOM 315 O LYS p 20 7.530 1.424 2.030 1.00 0.00 O ATOM 316 CB LYS p 20 7.049 4.444 1.719 1.00 0.00 C ATOM 317 CG LYS p 20 8.418 5.100 1.746 1.00 0.00 C ATOM 318 CD LYS p 20 9.089 4.940 3.101 1.00 0.00 C ATOM 319 CE LYS p 20 10.410 5.690 3.160 1.00 0.00 C ATOM 320 NZ LYS p 20 11.026 5.626 4.514 1.00 0.00 N ATOM 0 H LYS p 20 5.104 4.199 0.137 1.00 0.00 H new ATOM 0 HA LYS p 20 7.851 3.264 0.145 1.00 0.00 H new ATOM 0 HB2 LYS p 20 6.298 5.205 1.506 1.00 0.00 H new ATOM 0 HB3 LYS p 20 6.829 4.048 2.710 1.00 0.00 H new ATOM 0 HG2 LYS p 20 9.048 4.660 0.973 1.00 0.00 H new ATOM 0 HG3 LYS p 20 8.319 6.160 1.511 1.00 0.00 H new ATOM 0 HD2 LYS p 20 8.425 5.308 3.883 1.00 0.00 H new ATOM 0 HD3 LYS p 20 9.261 3.882 3.301 1.00 0.00 H new ATOM 0 HE2 LYS p 20 11.099 5.269 2.428 1.00 0.00 H new ATOM 0 HE3 LYS p 20 10.248 6.732 2.884 1.00 0.00 H new ATOM 0 HZ1 LYS p 20 12.061 5.685 4.428 1.00 0.00 H new ATOM 0 HZ2 LYS p 20 10.681 6.420 5.090 1.00 0.00 H new ATOM 0 HZ3 LYS p 20 10.768 4.728 4.971 1.00 0.00 H new ATOM 334 N GLU p 21 5.369 1.586 1.329 1.00 0.00 N ATOM 335 CA GLU p 21 4.893 0.311 1.840 1.00 0.00 C ATOM 336 C GLU p 21 5.129 -0.666 0.706 1.00 0.00 C ATOM 337 O GLU p 21 5.401 -1.852 0.905 1.00 0.00 O ATOM 338 CB GLU p 21 3.411 0.410 2.226 1.00 0.00 C ATOM 339 CG GLU p 21 2.606 -0.865 2.058 1.00 0.00 C ATOM 340 CD GLU p 21 2.158 -1.460 3.380 1.00 0.00 C ATOM 341 OE1 GLU p 21 1.062 -1.094 3.854 1.00 0.00 O ATOM 342 OE2 GLU p 21 2.903 -2.291 3.939 1.00 0.00 O ATOM 0 H GLU p 21 4.634 2.143 0.894 1.00 0.00 H new ATOM 0 HA GLU p 21 5.409 -0.006 2.746 1.00 0.00 H new ATOM 0 HB2 GLU p 21 3.345 0.726 3.267 1.00 0.00 H new ATOM 0 HB3 GLU p 21 2.948 1.193 1.625 1.00 0.00 H new ATOM 0 HG2 GLU p 21 1.730 -0.657 1.444 1.00 0.00 H new ATOM 0 HG3 GLU p 21 3.206 -1.599 1.520 1.00 0.00 H new ATOM 349 N LEU p 22 5.001 -0.096 -0.500 1.00 0.00 N ATOM 350 CA LEU p 22 5.287 -0.796 -1.749 1.00 0.00 C ATOM 351 C LEU p 22 6.790 -0.920 -1.848 1.00 0.00 C ATOM 352 O LEU p 22 7.346 -1.949 -2.242 1.00 0.00 O ATOM 353 CB LEU p 22 4.795 0.037 -2.919 1.00 0.00 C ATOM 354 CG LEU p 22 3.665 -0.528 -3.760 1.00 0.00 C ATOM 355 CD1 LEU p 22 2.336 -0.397 -3.034 1.00 0.00 C ATOM 356 CD2 LEU p 22 3.645 0.231 -5.062 1.00 0.00 C ATOM 0 H LEU p 22 4.695 0.868 -0.632 1.00 0.00 H new ATOM 0 HA LEU p 22 4.798 -1.770 -1.769 1.00 0.00 H new ATOM 0 HB2 LEU p 22 4.474 1.004 -2.531 1.00 0.00 H new ATOM 0 HB3 LEU p 22 5.643 0.224 -3.578 1.00 0.00 H new ATOM 0 HG LEU p 22 3.823 -1.590 -3.945 1.00 0.00 H new ATOM 0 HD11 LEU p 22 1.540 -0.808 -3.655 1.00 0.00 H new ATOM 0 HD12 LEU p 22 2.381 -0.944 -2.092 1.00 0.00 H new ATOM 0 HD13 LEU p 22 2.133 0.655 -2.834 1.00 0.00 H new ATOM 0 HD21 LEU p 22 2.842 -0.150 -5.693 1.00 0.00 H new ATOM 0 HD22 LEU p 22 3.479 1.290 -4.863 1.00 0.00 H new ATOM 0 HD23 LEU p 22 4.600 0.103 -5.572 1.00 0.00 H new ATOM 368 N ALA p 23 7.411 0.195 -1.468 1.00 0.00 N ATOM 369 CA ALA p 23 8.873 0.324 -1.422 1.00 0.00 C ATOM 370 C ALA p 23 9.440 -0.367 -0.184 1.00 0.00 C ATOM 371 O ALA p 23 10.641 -0.573 -0.094 1.00 0.00 O ATOM 372 CB ALA p 23 9.321 1.781 -1.462 1.00 0.00 C ATOM 0 H ALA p 23 6.916 1.040 -1.182 1.00 0.00 H new ATOM 0 HA ALA p 23 9.264 -0.167 -2.313 1.00 0.00 H new ATOM 0 HB1 ALA p 23 10.409 1.828 -1.426 1.00 0.00 H new ATOM 0 HB2 ALA p 23 8.968 2.245 -2.383 1.00 0.00 H new ATOM 0 HB3 ALA p 23 8.906 2.313 -0.606 1.00 0.00 H new ATOM 378 N GLN p 24 8.541 -0.719 0.756 1.00 0.00 N ATOM 379 CA GLN p 24 8.869 -1.406 1.991 1.00 0.00 C ATOM 380 C GLN p 24 9.218 -2.865 1.695 1.00 0.00 C ATOM 381 O GLN p 24 10.019 -3.476 2.388 1.00 0.00 O ATOM 382 CB GLN p 24 7.657 -1.309 2.914 1.00 0.00 C ATOM 383 CG GLN p 24 7.661 -2.285 4.056 1.00 0.00 C ATOM 384 CD GLN p 24 7.386 -1.639 5.400 1.00 0.00 C ATOM 385 OE1 GLN p 24 6.236 -1.531 5.826 1.00 0.00 O ATOM 386 NE2 GLN p 24 8.444 -1.205 6.075 1.00 0.00 N ATOM 0 H GLN p 24 7.545 -0.522 0.662 1.00 0.00 H new ATOM 0 HA GLN p 24 9.734 -0.950 2.472 1.00 0.00 H new ATOM 0 HB2 GLN p 24 7.604 -0.298 3.318 1.00 0.00 H new ATOM 0 HB3 GLN p 24 6.754 -1.464 2.324 1.00 0.00 H new ATOM 0 HG2 GLN p 24 6.911 -3.054 3.870 1.00 0.00 H new ATOM 0 HG3 GLN p 24 8.628 -2.786 4.093 1.00 0.00 H new ATOM 0 HE21 GLN p 24 9.379 -1.315 5.683 1.00 0.00 H new ATOM 0 HE22 GLN p 24 8.321 -0.761 6.985 1.00 0.00 H new ATOM 395 N LEU p 25 8.602 -3.362 0.625 1.00 0.00 N ATOM 396 CA LEU p 25 8.772 -4.721 0.121 1.00 0.00 C ATOM 397 C LEU p 25 10.091 -4.776 -0.576 1.00 0.00 C ATOM 398 O LEU p 25 10.867 -5.674 -0.377 1.00 0.00 O ATOM 399 CB LEU p 25 7.670 -5.039 -0.879 1.00 0.00 C ATOM 400 CG LEU p 25 6.531 -5.912 -0.389 1.00 0.00 C ATOM 401 CD1 LEU p 25 5.515 -5.096 0.391 1.00 0.00 C ATOM 402 CD2 LEU p 25 5.894 -6.555 -1.591 1.00 0.00 C ATOM 0 H LEU p 25 7.950 -2.811 0.067 1.00 0.00 H new ATOM 0 HA LEU p 25 8.727 -5.441 0.939 1.00 0.00 H new ATOM 0 HB2 LEU p 25 7.249 -4.097 -1.231 1.00 0.00 H new ATOM 0 HB3 LEU p 25 8.125 -5.527 -1.741 1.00 0.00 H new ATOM 0 HG LEU p 25 6.911 -6.676 0.289 1.00 0.00 H new ATOM 0 HD11 LEU p 25 4.709 -5.747 0.731 1.00 0.00 H new ATOM 0 HD12 LEU p 25 6.000 -4.639 1.253 1.00 0.00 H new ATOM 0 HD13 LEU p 25 5.105 -4.316 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU p 25 5.069 -7.191 -1.269 1.00 0.00 H new ATOM 0 HD22 LEU p 25 5.517 -5.782 -2.260 1.00 0.00 H new ATOM 0 HD23 LEU p 25 6.634 -7.159 -2.116 1.00 0.00 H new ATOM 414 N GLU p 26 10.266 -3.768 -1.420 1.00 0.00 N ATOM 415 CA GLU p 26 11.482 -3.483 -2.169 1.00 0.00 C ATOM 416 C GLU p 26 12.553 -3.083 -1.172 1.00 0.00 C ATOM 417 O GLU p 26 13.740 -3.092 -1.445 1.00 0.00 O ATOM 418 CB GLU p 26 11.216 -2.354 -3.159 1.00 0.00 C ATOM 419 CG GLU p 26 9.889 -2.496 -3.884 1.00 0.00 C ATOM 420 CD GLU p 26 10.020 -2.354 -5.388 1.00 0.00 C ATOM 421 OE1 GLU p 26 10.250 -3.379 -6.064 1.00 0.00 O ATOM 422 OE2 GLU p 26 9.894 -1.217 -5.890 1.00 0.00 O ATOM 0 H GLU p 26 9.526 -3.093 -1.610 1.00 0.00 H new ATOM 0 HA GLU p 26 11.810 -4.356 -2.733 1.00 0.00 H new ATOM 0 HB2 GLU p 26 11.233 -1.402 -2.628 1.00 0.00 H new ATOM 0 HB3 GLU p 26 12.022 -2.324 -3.892 1.00 0.00 H new ATOM 0 HG2 GLU p 26 9.457 -3.469 -3.652 1.00 0.00 H new ATOM 0 HG3 GLU p 26 9.195 -1.742 -3.512 1.00 0.00 H new ATOM 429 N LYS p 27 12.067 -2.656 -0.018 1.00 0.00 N ATOM 430 CA LYS p 27 12.937 -2.357 1.129 1.00 0.00 C ATOM 431 C LYS p 27 13.292 -3.685 1.772 1.00 0.00 C ATOM 432 O LYS p 27 14.332 -3.837 2.417 1.00 0.00 O ATOM 433 CB LYS p 27 12.286 -1.443 2.162 1.00 0.00 C ATOM 434 CG LYS p 27 12.596 0.032 1.964 1.00 0.00 C ATOM 435 CD LYS p 27 12.289 0.838 3.215 1.00 0.00 C ATOM 436 CE LYS p 27 12.660 2.302 3.039 1.00 0.00 C ATOM 437 NZ LYS p 27 12.425 3.088 4.282 1.00 0.00 N ATOM 0 H LYS p 27 11.074 -2.505 0.159 1.00 0.00 H new ATOM 0 HA LYS p 27 13.815 -1.821 0.770 1.00 0.00 H new ATOM 0 HB2 LYS p 27 11.206 -1.585 2.128 1.00 0.00 H new ATOM 0 HB3 LYS p 27 12.616 -1.743 3.157 1.00 0.00 H new ATOM 0 HG2 LYS p 27 13.647 0.152 1.701 1.00 0.00 H new ATOM 0 HG3 LYS p 27 12.013 0.419 1.128 1.00 0.00 H new ATOM 0 HD2 LYS p 27 11.228 0.756 3.451 1.00 0.00 H new ATOM 0 HD3 LYS p 27 12.836 0.422 4.061 1.00 0.00 H new ATOM 0 HE2 LYS p 27 13.709 2.379 2.754 1.00 0.00 H new ATOM 0 HE3 LYS p 27 12.076 2.729 2.224 1.00 0.00 H new ATOM 0 HZ1 LYS p 27 12.859 4.028 4.185 1.00 0.00 H new ATOM 0 HZ2 LYS p 27 11.402 3.193 4.438 1.00 0.00 H new ATOM 0 HZ3 LYS p 27 12.850 2.592 5.092 1.00 0.00 H new ATOM 451 N GLU p 28 12.371 -4.639 1.592 1.00 0.00 N ATOM 452 CA GLU p 28 12.573 -6.023 2.061 1.00 0.00 C ATOM 453 C GLU p 28 13.169 -6.845 0.932 1.00 0.00 C ATOM 454 O GLU p 28 14.025 -7.709 1.137 1.00 0.00 O ATOM 455 CB GLU p 28 11.259 -6.691 2.487 1.00 0.00 C ATOM 456 CG GLU p 28 10.450 -5.887 3.470 1.00 0.00 C ATOM 457 CD GLU p 28 10.292 -6.573 4.813 1.00 0.00 C ATOM 458 OE1 GLU p 28 11.152 -6.362 5.693 1.00 0.00 O ATOM 459 OE2 GLU p 28 9.306 -7.321 4.984 1.00 0.00 O ATOM 0 H GLU p 28 11.478 -4.482 1.126 1.00 0.00 H new ATOM 0 HA GLU p 28 13.236 -5.980 2.925 1.00 0.00 H new ATOM 0 HB2 GLU p 28 10.653 -6.875 1.600 1.00 0.00 H new ATOM 0 HB3 GLU p 28 11.484 -7.663 2.927 1.00 0.00 H new ATOM 0 HG2 GLU p 28 10.927 -4.918 3.618 1.00 0.00 H new ATOM 0 HG3 GLU p 28 9.463 -5.695 3.048 1.00 0.00 H new ATOM 466 N LEU p 29 12.672 -6.538 -0.262 1.00 0.00 N ATOM 467 CA LEU p 29 13.062 -7.203 -1.499 1.00 0.00 C ATOM 468 C LEU p 29 14.338 -6.657 -2.119 1.00 0.00 C ATOM 469 O LEU p 29 15.297 -7.403 -2.340 1.00 0.00 O ATOM 470 CB LEU p 29 11.931 -7.064 -2.523 1.00 0.00 C ATOM 471 CG LEU p 29 11.340 -8.351 -3.078 1.00 0.00 C ATOM 472 CD1 LEU p 29 10.169 -7.998 -3.968 1.00 0.00 C ATOM 473 CD2 LEU p 29 12.388 -9.128 -3.854 1.00 0.00 C ATOM 0 H LEU p 29 11.974 -5.807 -0.399 1.00 0.00 H new ATOM 0 HA LEU p 29 13.253 -8.244 -1.238 1.00 0.00 H new ATOM 0 HB2 LEU p 29 11.125 -6.492 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU p 29 12.303 -6.473 -3.360 1.00 0.00 H new ATOM 0 HG LEU p 29 11.000 -8.984 -2.258 1.00 0.00 H new ATOM 0 HD11 LEU p 29 9.733 -8.910 -4.375 1.00 0.00 H new ATOM 0 HD12 LEU p 29 9.417 -7.465 -3.386 1.00 0.00 H new ATOM 0 HD13 LEU p 29 10.512 -7.364 -4.786 1.00 0.00 H new ATOM 0 HD21 LEU p 29 11.947 -10.045 -4.243 1.00 0.00 H new ATOM 0 HD22 LEU p 29 12.752 -8.520 -4.683 1.00 0.00 H new ATOM 0 HD23 LEU p 29 13.219 -9.377 -3.194 1.00 0.00 H new ATOM 485 N GLN p 30 14.338 -5.356 -2.393 1.00 0.00 N ATOM 486 CA GLN p 30 15.483 -4.711 -3.070 1.00 0.00 C ATOM 487 C GLN p 30 16.623 -4.324 -2.120 1.00 0.00 C ATOM 488 O GLN p 30 17.800 -4.529 -2.434 1.00 0.00 O ATOM 489 CB GLN p 30 14.964 -3.506 -3.885 1.00 0.00 C ATOM 490 CG GLN p 30 15.841 -2.258 -3.870 1.00 0.00 C ATOM 491 CD GLN p 30 16.533 -2.010 -5.196 1.00 0.00 C ATOM 492 OE1 GLN p 30 15.995 -1.333 -6.073 1.00 0.00 O ATOM 493 NE2 GLN p 30 17.732 -2.558 -5.349 1.00 0.00 N ATOM 0 H GLN p 30 13.571 -4.724 -2.164 1.00 0.00 H new ATOM 0 HA GLN p 30 15.933 -5.441 -3.743 1.00 0.00 H new ATOM 0 HB2 GLN p 30 14.835 -3.822 -4.920 1.00 0.00 H new ATOM 0 HB3 GLN p 30 13.977 -3.236 -3.508 1.00 0.00 H new ATOM 0 HG2 GLN p 30 15.229 -1.392 -3.617 1.00 0.00 H new ATOM 0 HG3 GLN p 30 16.592 -2.357 -3.086 1.00 0.00 H new ATOM 0 HE21 GLN p 30 18.140 -3.112 -4.595 1.00 0.00 H new ATOM 0 HE22 GLN p 30 18.246 -2.426 -6.220 1.00 0.00 H new ATOM 502 N ALA p 31 16.258 -3.771 -0.978 1.00 0.00 N ATOM 503 CA ALA p 31 17.226 -3.312 0.038 1.00 0.00 C ATOM 504 C ALA p 31 17.935 -4.464 0.775 1.00 0.00 C ATOM 505 O ALA p 31 18.847 -4.221 1.575 1.00 0.00 O ATOM 506 CB ALA p 31 16.538 -2.390 1.033 1.00 0.00 C ATOM 0 H ALA p 31 15.284 -3.621 -0.715 1.00 0.00 H new ATOM 0 HA ALA p 31 18.005 -2.768 -0.496 1.00 0.00 H new ATOM 0 HB1 ALA p 31 17.259 -2.056 1.779 1.00 0.00 H new ATOM 0 HB2 ALA p 31 16.133 -1.525 0.508 1.00 0.00 H new ATOM 0 HB3 ALA p 31 15.728 -2.927 1.527 1.00 0.00 H new ATOM 512 N TRP p 32 17.524 -5.708 0.495 1.00 0.00 N ATOM 513 CA TRP p 32 18.128 -6.888 1.123 1.00 0.00 C ATOM 514 C TRP p 32 19.246 -7.473 0.256 1.00 0.00 C ATOM 515 O TRP p 32 20.325 -7.793 0.762 1.00 0.00 O ATOM 516 CB TRP p 32 17.059 -7.951 1.404 1.00 0.00 C ATOM 517 CG TRP p 32 16.589 -7.975 2.834 1.00 0.00 C ATOM 518 CD1 TRP p 32 15.850 -7.016 3.470 1.00 0.00 C ATOM 519 CD2 TRP p 32 16.820 -9.010 3.804 1.00 0.00 C ATOM 520 NE1 TRP p 32 15.612 -7.388 4.771 1.00 0.00 N ATOM 521 CE2 TRP p 32 16.195 -8.606 5.000 1.00 0.00 C ATOM 522 CE3 TRP p 32 17.495 -10.238 3.781 1.00 0.00 C ATOM 523 CZ2 TRP p 32 16.223 -9.382 6.156 1.00 0.00 C ATOM 524 CZ3 TRP p 32 17.520 -11.007 4.930 1.00 0.00 C ATOM 525 CH2 TRP p 32 16.888 -10.577 6.103 1.00 0.00 C ATOM 0 H TRP p 32 16.775 -5.922 -0.163 1.00 0.00 H new ATOM 0 HA TRP p 32 18.569 -6.572 2.068 1.00 0.00 H new ATOM 0 HB2 TRP p 32 16.203 -7.774 0.753 1.00 0.00 H new ATOM 0 HB3 TRP p 32 17.458 -8.932 1.146 1.00 0.00 H new ATOM 0 HD1 TRP p 32 15.504 -6.099 3.016 1.00 0.00 H new ATOM 0 HE1 TRP p 32 15.086 -6.845 5.456 1.00 0.00 H new ATOM 0 HE3 TRP p 32 17.987 -10.578 2.882 1.00 0.00 H new ATOM 0 HZ2 TRP p 32 15.737 -9.052 7.062 1.00 0.00 H new ATOM 0 HZ3 TRP p 32 18.036 -11.956 4.922 1.00 0.00 H new ATOM 0 HH2 TRP p 32 16.926 -11.201 6.984 1.00 0.00 H new ATOM 536 N ASN p 33 18.976 -7.610 -1.062 1.00 0.00 N ATOM 537 CA ASN p 33 19.945 -8.152 -2.052 1.00 0.00 C ATOM 538 C ASN p 33 20.431 -9.576 -1.693 1.00 0.00 C ATOM 539 O ASN p 33 21.503 -10.009 -2.135 1.00 0.00 O ATOM 540 CB ASN p 33 21.148 -7.200 -2.224 1.00 0.00 C ATOM 541 CG ASN p 33 20.767 -5.891 -2.890 1.00 0.00 C ATOM 542 OD1 ASN p 33 20.413 -4.921 -2.220 1.00 0.00 O ATOM 543 ND2 ASN p 33 20.837 -5.858 -4.216 1.00 0.00 N ATOM 0 H ASN p 33 18.080 -7.349 -1.473 1.00 0.00 H new ATOM 0 HA ASN p 33 19.412 -8.225 -3.000 1.00 0.00 H new ATOM 0 HB2 ASN p 33 21.585 -6.992 -1.247 1.00 0.00 H new ATOM 0 HB3 ASN p 33 21.916 -7.695 -2.818 1.00 0.00 H new ATOM 0 HD21 ASN p 33 20.592 -5.005 -4.719 1.00 0.00 H new ATOM 0 HD22 ASN p 33 21.136 -6.686 -4.732 1.00 0.00 H new ATOM 550 N CYS p 34 19.619 -10.302 -0.913 1.00 0.00 N ATOM 551 CA CYS p 34 19.952 -11.666 -0.492 1.00 0.00 C ATOM 552 C CYS p 34 19.346 -12.706 -1.440 1.00 0.00 C ATOM 553 O CYS p 34 20.018 -13.669 -1.819 1.00 0.00 O ATOM 554 CB CYS p 34 19.469 -11.910 0.943 1.00 0.00 C ATOM 555 SG CYS p 34 19.980 -13.500 1.638 1.00 0.00 S ATOM 0 H CYS p 34 18.724 -9.964 -0.560 1.00 0.00 H new ATOM 0 HA CYS p 34 21.036 -11.773 -0.526 1.00 0.00 H new ATOM 0 HB2 CYS p 34 19.844 -11.110 1.581 1.00 0.00 H new ATOM 0 HB3 CYS p 34 18.381 -11.850 0.963 1.00 0.00 H new ATOM 0 HG CYS p 34 19.525 -13.610 2.851 1.00 0.00 H new ATOM 561 N ILE p 35 18.077 -12.499 -1.816 1.00 0.00 N ATOM 562 CA ILE p 35 17.369 -13.410 -2.724 1.00 0.00 C ATOM 563 C ILE p 35 16.480 -12.638 -3.698 1.00 0.00 C ATOM 564 O ILE p 35 15.768 -11.712 -3.297 1.00 0.00 O ATOM 565 CB ILE p 35 16.521 -14.478 -1.962 1.00 0.00 C ATOM 566 CG1 ILE p 35 15.718 -13.873 -0.790 1.00 0.00 C ATOM 567 CG2 ILE p 35 17.420 -15.597 -1.458 1.00 0.00 C ATOM 568 CD1 ILE p 35 14.328 -13.410 -1.173 1.00 0.00 C ATOM 0 H ILE p 35 17.518 -11.705 -1.504 1.00 0.00 H new ATOM 0 HA ILE p 35 18.139 -13.940 -3.286 1.00 0.00 H new ATOM 0 HB ILE p 35 15.798 -14.879 -2.672 1.00 0.00 H new ATOM 0 HG12 ILE p 35 15.637 -14.616 0.004 1.00 0.00 H new ATOM 0 HG13 ILE p 35 16.272 -13.028 -0.381 1.00 0.00 H new ATOM 0 HG21 ILE p 35 16.819 -16.336 -0.928 1.00 0.00 H new ATOM 0 HG22 ILE p 35 17.918 -16.072 -2.303 1.00 0.00 H new ATOM 0 HG23 ILE p 35 18.168 -15.185 -0.781 1.00 0.00 H new ATOM 0 HD11 ILE p 35 13.828 -12.998 -0.297 1.00 0.00 H new ATOM 0 HD12 ILE p 35 14.400 -12.643 -1.944 1.00 0.00 H new ATOM 0 HD13 ILE p 35 13.755 -14.255 -1.554 1.00 0.00 H new ATOM 580 N CYS p 36 16.533 -13.028 -4.976 1.00 0.00 N ATOM 581 CA CYS p 36 15.742 -12.380 -6.023 1.00 0.00 C ATOM 582 C CYS p 36 14.947 -13.402 -6.839 1.00 0.00 C ATOM 583 O CYS p 36 13.761 -13.196 -7.108 1.00 0.00 O ATOM 584 CB CYS p 36 16.650 -11.562 -6.946 1.00 0.00 C ATOM 585 SG CYS p 36 17.583 -10.262 -6.102 1.00 0.00 S ATOM 0 H CYS p 36 17.119 -13.793 -5.310 1.00 0.00 H new ATOM 0 HA CYS p 36 15.031 -11.712 -5.536 1.00 0.00 H new ATOM 0 HB2 CYS p 36 17.351 -12.236 -7.439 1.00 0.00 H new ATOM 0 HB3 CYS p 36 16.041 -11.108 -7.728 1.00 0.00 H new ATOM 0 HG CYS p 36 18.322 -9.629 -6.964 1.00 0.00 H new ATOM 591 N ASP p 37 15.615 -14.513 -7.232 1.00 0.00 N ATOM 592 CA ASP p 37 15.004 -15.606 -8.034 1.00 0.00 C ATOM 593 C ASP p 37 14.563 -15.125 -9.423 1.00 0.00 C ATOM 594 O ASP p 37 14.236 -13.947 -9.606 1.00 0.00 O ATOM 595 CB ASP p 37 13.815 -16.255 -7.302 1.00 0.00 C ATOM 596 CG ASP p 37 14.242 -17.022 -6.063 1.00 0.00 C ATOM 597 OD1 ASP p 37 14.285 -16.413 -4.974 1.00 0.00 O ATOM 598 OD2 ASP p 37 14.531 -18.231 -6.185 1.00 0.00 O ATOM 0 H ASP p 37 16.595 -14.679 -7.002 1.00 0.00 H new ATOM 0 HA ASP p 37 15.782 -16.358 -8.166 1.00 0.00 H new ATOM 0 HB2 ASP p 37 13.101 -15.481 -7.018 1.00 0.00 H new ATOM 0 HB3 ASP p 37 13.298 -16.931 -7.983 1.00 0.00 H new ATOM 603 N ILE p 38 14.557 -16.047 -10.393 1.00 0.00 N ATOM 604 CA ILE p 38 14.162 -15.724 -11.767 1.00 0.00 C ATOM 605 C ILE p 38 13.024 -16.626 -12.258 1.00 0.00 C ATOM 606 O ILE p 38 11.988 -16.127 -12.709 1.00 0.00 O ATOM 607 CB ILE p 38 15.357 -15.766 -12.782 1.00 0.00 C ATOM 608 CG1 ILE p 38 16.212 -17.078 -12.698 1.00 0.00 C ATOM 609 CG2 ILE p 38 16.224 -14.514 -12.634 1.00 0.00 C ATOM 610 CD1 ILE p 38 17.115 -17.232 -11.474 1.00 0.00 C ATOM 0 H ILE p 38 14.821 -17.022 -10.251 1.00 0.00 H new ATOM 0 HA ILE p 38 13.806 -14.694 -11.730 1.00 0.00 H new ATOM 0 HB ILE p 38 14.919 -15.777 -13.780 1.00 0.00 H new ATOM 0 HG12 ILE p 38 15.532 -17.930 -12.729 1.00 0.00 H new ATOM 0 HG13 ILE p 38 16.836 -17.136 -13.590 1.00 0.00 H new ATOM 0 HG21 ILE p 38 17.049 -14.557 -13.345 1.00 0.00 H new ATOM 0 HG22 ILE p 38 15.621 -13.628 -12.832 1.00 0.00 H new ATOM 0 HG23 ILE p 38 16.621 -14.464 -11.620 1.00 0.00 H new ATOM 0 HD11 ILE p 38 17.652 -18.179 -11.535 1.00 0.00 H new ATOM 0 HD12 ILE p 38 17.831 -16.410 -11.444 1.00 0.00 H new ATOM 0 HD13 ILE p 38 16.507 -17.217 -10.569 1.00 0.00 H new ATOM 622 N GLU p 39 13.224 -17.950 -12.169 1.00 0.00 N ATOM 623 CA GLU p 39 12.217 -18.924 -12.608 1.00 0.00 C ATOM 624 C GLU p 39 12.071 -20.070 -11.604 1.00 0.00 C ATOM 625 O GLU p 39 10.950 -20.452 -11.255 1.00 0.00 O ATOM 626 CB GLU p 39 12.572 -19.490 -13.994 1.00 0.00 C ATOM 627 CG GLU p 39 12.545 -18.455 -15.109 1.00 0.00 C ATOM 628 CD GLU p 39 12.567 -19.082 -16.490 1.00 0.00 C ATOM 629 OE1 GLU p 39 11.477 -19.371 -17.028 1.00 0.00 O ATOM 630 OE2 GLU p 39 13.673 -19.283 -17.034 1.00 0.00 O ATOM 0 H GLU p 39 14.076 -18.369 -11.796 1.00 0.00 H new ATOM 0 HA GLU p 39 11.264 -18.398 -12.671 1.00 0.00 H new ATOM 0 HB2 GLU p 39 13.566 -19.936 -13.950 1.00 0.00 H new ATOM 0 HB3 GLU p 39 11.874 -20.291 -14.238 1.00 0.00 H new ATOM 0 HG2 GLU p 39 11.650 -17.841 -15.007 1.00 0.00 H new ATOM 0 HG3 GLU p 39 13.402 -17.790 -15.003 1.00 0.00 H new ATOM 637 N ASN p 40 13.208 -20.610 -11.147 1.00 0.00 N ATOM 638 CA ASN p 40 13.216 -21.721 -10.192 1.00 0.00 C ATOM 639 C ASN p 40 13.790 -21.291 -8.844 1.00 0.00 C ATOM 640 O ASN p 40 14.606 -20.367 -8.774 1.00 0.00 O ATOM 641 CB ASN p 40 14.023 -22.899 -10.750 1.00 0.00 C ATOM 642 CG ASN p 40 13.345 -23.568 -11.930 1.00 0.00 C ATOM 643 OD1 ASN p 40 13.555 -23.186 -13.081 1.00 0.00 O ATOM 644 ND2 ASN p 40 12.524 -24.574 -11.649 1.00 0.00 N ATOM 0 H ASN p 40 14.136 -20.293 -11.426 1.00 0.00 H new ATOM 0 HA ASN p 40 12.183 -22.034 -10.039 1.00 0.00 H new ATOM 0 HB2 ASN p 40 15.008 -22.547 -11.055 1.00 0.00 H new ATOM 0 HB3 ASN p 40 14.177 -23.634 -9.960 1.00 0.00 H new ATOM 0 HD21 ASN p 40 12.039 -25.062 -12.402 1.00 0.00 H new ATOM 0 HD22 ASN p 40 12.379 -24.858 -10.680 1.00 0.00 H new ATOM 651 N CYS p 41 13.352 -21.975 -7.780 1.00 0.00 N ATOM 652 CA CYS p 41 13.808 -21.691 -6.418 1.00 0.00 C ATOM 653 C CYS p 41 14.956 -22.620 -6.014 1.00 0.00 C ATOM 654 O CYS p 41 15.899 -22.192 -5.343 1.00 0.00 O ATOM 655 CB CYS p 41 12.648 -21.834 -5.431 1.00 0.00 C ATOM 656 SG CYS p 41 11.870 -23.468 -5.437 1.00 0.00 S ATOM 0 H CYS p 41 12.676 -22.736 -7.840 1.00 0.00 H new ATOM 0 HA CYS p 41 14.175 -20.665 -6.394 1.00 0.00 H new ATOM 0 HB2 CYS p 41 13.012 -21.620 -4.426 1.00 0.00 H new ATOM 0 HB3 CYS p 41 11.893 -21.083 -5.663 1.00 0.00 H new ATOM 0 HG CYS p 41 12.320 -24.166 -4.437 1.00 0.00 H new ATOM 662 N SER p 42 14.854 -23.905 -6.430 1.00 0.00 N ATOM 663 CA SER p 42 15.861 -24.963 -6.153 1.00 0.00 C ATOM 664 C SER p 42 15.869 -25.409 -4.682 1.00 0.00 C ATOM 665 O SER p 42 15.966 -26.607 -4.402 1.00 0.00 O ATOM 666 CB SER p 42 17.279 -24.534 -6.584 1.00 0.00 C ATOM 667 OG SER p 42 18.181 -25.629 -6.557 1.00 0.00 O ATOM 0 H SER p 42 14.060 -24.242 -6.975 1.00 0.00 H new ATOM 0 HA SER p 42 15.559 -25.820 -6.755 1.00 0.00 H new ATOM 0 HB2 SER p 42 17.244 -24.114 -7.589 1.00 0.00 H new ATOM 0 HB3 SER p 42 17.640 -23.747 -5.922 1.00 0.00 H new ATOM 0 HG SER p 42 19.071 -25.327 -6.836 1.00 0.00 H new ATOM 673 N ASN p 43 15.768 -24.447 -3.755 1.00 0.00 N ATOM 674 CA ASN p 43 15.778 -24.748 -2.320 1.00 0.00 C ATOM 675 C ASN p 43 14.357 -24.881 -1.757 1.00 0.00 C ATOM 676 O ASN p 43 13.978 -25.959 -1.287 1.00 0.00 O ATOM 677 CB ASN p 43 16.565 -23.675 -1.552 1.00 0.00 C ATOM 678 CG ASN p 43 18.057 -23.741 -1.822 1.00 0.00 C ATOM 679 OD1 ASN p 43 18.797 -24.432 -1.121 1.00 0.00 O ATOM 680 ND2 ASN p 43 18.505 -23.019 -2.842 1.00 0.00 N ATOM 0 H ASN p 43 15.679 -23.455 -3.975 1.00 0.00 H new ATOM 0 HA ASN p 43 16.273 -25.710 -2.188 1.00 0.00 H new ATOM 0 HB2 ASN p 43 16.193 -22.689 -1.829 1.00 0.00 H new ATOM 0 HB3 ASN p 43 16.387 -23.794 -0.483 1.00 0.00 H new ATOM 0 HD21 ASN p 43 19.499 -23.022 -3.072 1.00 0.00 H new ATOM 0 HD22 ASN p 43 17.855 -22.461 -3.396 1.00 0.00 H new ATOM 687 N MET p 44 13.577 -23.786 -1.804 1.00 0.00 N ATOM 688 CA MET p 44 12.202 -23.781 -1.288 1.00 0.00 C ATOM 689 C MET p 44 11.311 -22.851 -2.113 1.00 0.00 C ATOM 690 O MET p 44 11.733 -21.758 -2.498 1.00 0.00 O ATOM 691 CB MET p 44 12.184 -23.346 0.186 1.00 0.00 C ATOM 692 CG MET p 44 11.134 -24.056 1.030 1.00 0.00 C ATOM 693 SD MET p 44 9.447 -23.617 0.565 1.00 0.00 S ATOM 694 CE MET p 44 8.508 -24.592 1.737 1.00 0.00 C ATOM 0 H MET p 44 13.879 -22.894 -2.195 1.00 0.00 H new ATOM 0 HA MET p 44 11.811 -24.796 -1.366 1.00 0.00 H new ATOM 0 HB2 MET p 44 13.167 -23.528 0.620 1.00 0.00 H new ATOM 0 HB3 MET p 44 12.008 -22.271 0.235 1.00 0.00 H new ATOM 0 HG2 MET p 44 11.264 -25.134 0.932 1.00 0.00 H new ATOM 0 HG3 MET p 44 11.292 -23.810 2.080 1.00 0.00 H new ATOM 0 HE1 MET p 44 7.443 -24.428 1.576 1.00 0.00 H new ATOM 0 HE2 MET p 44 8.737 -25.648 1.598 1.00 0.00 H new ATOM 0 HE3 MET p 44 8.772 -24.294 2.752 1.00 0.00 H new ATOM 704 N ALA p 45 10.080 -23.304 -2.371 1.00 0.00 N ATOM 705 CA ALA p 45 9.105 -22.528 -3.138 1.00 0.00 C ATOM 706 C ALA p 45 7.869 -22.198 -2.274 1.00 0.00 C ATOM 707 O ALA p 45 6.909 -22.979 -2.240 1.00 0.00 O ATOM 708 CB ALA p 45 8.709 -23.283 -4.404 1.00 0.00 C ATOM 0 H ALA p 45 9.735 -24.211 -2.057 1.00 0.00 H new ATOM 0 HA ALA p 45 9.563 -21.584 -3.434 1.00 0.00 H new ATOM 0 HB1 ALA p 45 7.983 -22.695 -4.966 1.00 0.00 H new ATOM 0 HB2 ALA p 45 9.593 -23.452 -5.019 1.00 0.00 H new ATOM 0 HB3 ALA p 45 8.267 -24.242 -4.133 1.00 0.00 H new ATOM 714 N PRO p 46 7.876 -21.043 -1.533 1.00 0.00 N ATOM 715 CA PRO p 46 6.744 -20.637 -0.677 1.00 0.00 C ATOM 716 C PRO p 46 5.570 -20.061 -1.470 1.00 0.00 C ATOM 717 O PRO p 46 5.758 -19.500 -2.554 1.00 0.00 O ATOM 718 CB PRO p 46 7.338 -19.551 0.238 1.00 0.00 C ATOM 719 CG PRO p 46 8.806 -19.512 -0.052 1.00 0.00 C ATOM 720 CD PRO p 46 8.976 -20.061 -1.439 1.00 0.00 C ATOM 0 HA PRO p 46 6.335 -21.494 -0.142 1.00 0.00 H new ATOM 0 HB2 PRO p 46 6.877 -18.583 0.042 1.00 0.00 H new ATOM 0 HB3 PRO p 46 7.155 -19.784 1.287 1.00 0.00 H new ATOM 0 HG2 PRO p 46 9.188 -18.493 0.013 1.00 0.00 H new ATOM 0 HG3 PRO p 46 9.361 -20.107 0.673 1.00 0.00 H new ATOM 0 HD2 PRO p 46 8.890 -19.282 -2.197 1.00 0.00 H new ATOM 0 HD3 PRO p 46 9.951 -20.530 -1.573 1.00 0.00 H new ATOM 728 N LEU p 47 4.367 -20.209 -0.911 1.00 0.00 N ATOM 729 CA LEU p 47 3.138 -19.710 -1.540 1.00 0.00 C ATOM 730 C LEU p 47 2.514 -18.576 -0.726 1.00 0.00 C ATOM 731 O LEU p 47 1.644 -17.850 -1.218 1.00 0.00 O ATOM 732 CB LEU p 47 2.121 -20.850 -1.690 1.00 0.00 C ATOM 733 CG LEU p 47 2.551 -22.024 -2.584 1.00 0.00 C ATOM 734 CD1 LEU p 47 1.738 -23.266 -2.252 1.00 0.00 C ATOM 735 CD2 LEU p 47 2.399 -21.676 -4.059 1.00 0.00 C ATOM 0 H LEU p 47 4.215 -20.674 -0.016 1.00 0.00 H new ATOM 0 HA LEU p 47 3.404 -19.322 -2.523 1.00 0.00 H new ATOM 0 HB2 LEU p 47 1.893 -21.239 -0.698 1.00 0.00 H new ATOM 0 HB3 LEU p 47 1.196 -20.435 -2.090 1.00 0.00 H new ATOM 0 HG LEU p 47 3.604 -22.227 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU p 47 2.053 -24.089 -2.893 1.00 0.00 H new ATOM 0 HD12 LEU p 47 1.897 -23.537 -1.208 1.00 0.00 H new ATOM 0 HD13 LEU p 47 0.680 -23.063 -2.417 1.00 0.00 H new ATOM 0 HD21 LEU p 47 2.711 -22.525 -4.667 1.00 0.00 H new ATOM 0 HD22 LEU p 47 1.356 -21.441 -4.272 1.00 0.00 H new ATOM 0 HD23 LEU p 47 3.021 -20.813 -4.295 1.00 0.00 H new ATOM 747 N TYR p 48 2.975 -18.441 0.515 1.00 0.00 N ATOM 748 CA TYR p 48 2.485 -17.417 1.447 1.00 0.00 C ATOM 749 C TYR p 48 3.329 -16.135 1.382 1.00 0.00 C ATOM 750 O TYR p 48 2.998 -15.137 2.032 1.00 0.00 O ATOM 751 CB TYR p 48 2.489 -17.969 2.884 1.00 0.00 C ATOM 752 CG TYR p 48 1.698 -19.252 3.058 1.00 0.00 C ATOM 753 CD1 TYR p 48 2.270 -20.486 2.767 1.00 0.00 C ATOM 754 CD2 TYR p 48 0.385 -19.229 3.510 1.00 0.00 C ATOM 755 CE1 TYR p 48 1.557 -21.657 2.919 1.00 0.00 C ATOM 756 CE2 TYR p 48 -0.336 -20.397 3.666 1.00 0.00 C ATOM 757 CZ TYR p 48 0.254 -21.609 3.370 1.00 0.00 C ATOM 758 OH TYR p 48 -0.461 -22.775 3.523 1.00 0.00 O ATOM 0 H TYR p 48 3.702 -19.039 0.908 1.00 0.00 H new ATOM 0 HA TYR p 48 1.467 -17.163 1.152 1.00 0.00 H new ATOM 0 HB2 TYR p 48 3.520 -18.146 3.191 1.00 0.00 H new ATOM 0 HB3 TYR p 48 2.083 -17.211 3.554 1.00 0.00 H new ATOM 0 HD1 TYR p 48 3.290 -20.528 2.416 1.00 0.00 H new ATOM 0 HD2 TYR p 48 -0.080 -18.283 3.743 1.00 0.00 H new ATOM 0 HE1 TYR p 48 2.016 -22.606 2.686 1.00 0.00 H new ATOM 0 HE2 TYR p 48 -1.356 -20.362 4.018 1.00 0.00 H new ATOM 0 HH TYR p 48 -1.361 -22.566 3.850 1.00 0.00 H new ATOM 768 N SER p 49 4.407 -16.167 0.587 1.00 0.00 N ATOM 769 CA SER p 49 5.302 -15.016 0.440 1.00 0.00 C ATOM 770 C SER p 49 5.533 -14.644 -1.028 1.00 0.00 C ATOM 771 O SER p 49 5.890 -13.503 -1.327 1.00 0.00 O ATOM 772 CB SER p 49 6.644 -15.307 1.113 1.00 0.00 C ATOM 773 OG SER p 49 6.479 -15.540 2.502 1.00 0.00 O ATOM 0 H SER p 49 4.679 -16.981 0.035 1.00 0.00 H new ATOM 0 HA SER p 49 4.818 -14.167 0.924 1.00 0.00 H new ATOM 0 HB2 SER p 49 7.106 -16.177 0.648 1.00 0.00 H new ATOM 0 HB3 SER p 49 7.321 -14.466 0.960 1.00 0.00 H new ATOM 0 HG SER p 49 7.351 -15.725 2.908 1.00 0.00 H new ATOM 779 N ASP p 50 5.338 -15.606 -1.937 1.00 0.00 N ATOM 780 CA ASP p 50 5.538 -15.369 -3.369 1.00 0.00 C ATOM 781 C ASP p 50 4.215 -15.055 -4.076 1.00 0.00 C ATOM 782 O ASP p 50 4.090 -14.015 -4.730 1.00 0.00 O ATOM 783 CB ASP p 50 6.222 -16.578 -4.025 1.00 0.00 C ATOM 784 CG ASP p 50 7.673 -16.728 -3.605 1.00 0.00 C ATOM 785 OD1 ASP p 50 7.929 -17.400 -2.584 1.00 0.00 O ATOM 786 OD2 ASP p 50 8.552 -16.174 -4.298 1.00 0.00 O ATOM 0 H ASP p 50 5.042 -16.554 -1.706 1.00 0.00 H new ATOM 0 HA ASP p 50 6.186 -14.499 -3.473 1.00 0.00 H new ATOM 0 HB2 ASP p 50 5.677 -17.485 -3.764 1.00 0.00 H new ATOM 0 HB3 ASP p 50 6.170 -16.476 -5.109 1.00 0.00 H new ATOM 791 N GLN p 51 3.238 -15.960 -3.938 1.00 0.00 N ATOM 792 CA GLN p 51 1.921 -15.802 -4.566 1.00 0.00 C ATOM 793 C GLN p 51 0.906 -15.113 -3.643 1.00 0.00 C ATOM 794 O GLN p 51 -0.194 -14.776 -4.081 1.00 0.00 O ATOM 795 CB GLN p 51 1.380 -17.163 -5.016 1.00 0.00 C ATOM 796 CG GLN p 51 2.002 -17.670 -6.309 1.00 0.00 C ATOM 797 CD GLN p 51 1.298 -18.897 -6.855 1.00 0.00 C ATOM 798 OE1 GLN p 51 1.661 -20.029 -6.537 1.00 0.00 O ATOM 799 NE2 GLN p 51 0.282 -18.677 -7.681 1.00 0.00 N ATOM 0 H GLN p 51 3.337 -16.816 -3.392 1.00 0.00 H new ATOM 0 HA GLN p 51 2.059 -15.157 -5.433 1.00 0.00 H new ATOM 0 HB2 GLN p 51 1.557 -17.894 -4.227 1.00 0.00 H new ATOM 0 HB3 GLN p 51 0.300 -17.090 -5.146 1.00 0.00 H new ATOM 0 HG2 GLN p 51 1.974 -16.877 -7.056 1.00 0.00 H new ATOM 0 HG3 GLN p 51 3.052 -17.906 -6.134 1.00 0.00 H new ATOM 0 HE21 GLN p 51 0.015 -17.721 -7.918 1.00 0.00 H new ATOM 0 HE22 GLN p 51 -0.231 -19.464 -8.079 1.00 0.00 H new ATOM 808 N ALA p 52 1.269 -14.926 -2.369 1.00 0.00 N ATOM 809 CA ALA p 52 0.376 -14.297 -1.387 1.00 0.00 C ATOM 810 C ALA p 52 0.674 -12.804 -1.165 1.00 0.00 C ATOM 811 O ALA p 52 -0.064 -12.127 -0.456 1.00 0.00 O ATOM 812 CB ALA p 52 0.460 -15.056 -0.071 1.00 0.00 C ATOM 0 H ALA p 52 2.176 -15.201 -1.993 1.00 0.00 H new ATOM 0 HA ALA p 52 -0.636 -14.348 -1.789 1.00 0.00 H new ATOM 0 HB1 ALA p 52 -0.202 -14.591 0.660 1.00 0.00 H new ATOM 0 HB2 ALA p 52 0.157 -16.091 -0.228 1.00 0.00 H new ATOM 0 HB3 ALA p 52 1.485 -15.030 0.299 1.00 0.00 H new ATOM 818 N LEU p 53 1.767 -12.314 -1.751 1.00 0.00 N ATOM 819 CA LEU p 53 2.189 -10.931 -1.630 1.00 0.00 C ATOM 820 C LEU p 53 1.709 -10.112 -2.813 1.00 0.00 C ATOM 821 O LEU p 53 0.822 -9.276 -2.689 1.00 0.00 O ATOM 822 CB LEU p 53 3.718 -10.864 -1.513 1.00 0.00 C ATOM 823 CG LEU p 53 4.273 -10.757 -0.092 1.00 0.00 C ATOM 824 CD1 LEU p 53 5.789 -10.762 -0.127 1.00 0.00 C ATOM 825 CD2 LEU p 53 3.759 -9.498 0.581 1.00 0.00 C ATOM 0 H LEU p 53 2.388 -12.880 -2.329 1.00 0.00 H new ATOM 0 HA LEU p 53 1.744 -10.508 -0.729 1.00 0.00 H new ATOM 0 HB2 LEU p 53 4.139 -11.754 -1.981 1.00 0.00 H new ATOM 0 HB3 LEU p 53 4.070 -10.006 -2.086 1.00 0.00 H new ATOM 0 HG LEU p 53 3.934 -11.617 0.486 1.00 0.00 H new ATOM 0 HD11 LEU p 53 6.177 -10.685 0.889 1.00 0.00 H new ATOM 0 HD12 LEU p 53 6.139 -11.689 -0.580 1.00 0.00 H new ATOM 0 HD13 LEU p 53 6.142 -9.915 -0.715 1.00 0.00 H new ATOM 0 HD21 LEU p 53 4.162 -9.435 1.592 1.00 0.00 H new ATOM 0 HD22 LEU p 53 4.075 -8.625 0.009 1.00 0.00 H new ATOM 0 HD23 LEU p 53 2.670 -9.528 0.626 1.00 0.00 H new ATOM 837 N LYS p 54 2.301 -10.415 -3.970 1.00 0.00 N ATOM 838 CA LYS p 54 1.990 -9.759 -5.260 1.00 0.00 C ATOM 839 C LYS p 54 0.504 -9.874 -5.620 1.00 0.00 C ATOM 840 O LYS p 54 0.015 -9.170 -6.501 1.00 0.00 O ATOM 841 CB LYS p 54 2.840 -10.365 -6.382 1.00 0.00 C ATOM 842 CG LYS p 54 4.308 -9.970 -6.329 1.00 0.00 C ATOM 843 CD LYS p 54 5.101 -10.615 -7.455 1.00 0.00 C ATOM 844 CE LYS p 54 6.571 -10.232 -7.391 1.00 0.00 C ATOM 845 NZ LYS p 54 7.359 -10.869 -8.482 1.00 0.00 N ATOM 0 H LYS p 54 3.022 -11.132 -4.048 1.00 0.00 H new ATOM 0 HA LYS p 54 2.227 -8.701 -5.149 1.00 0.00 H new ATOM 0 HB2 LYS p 54 2.765 -11.451 -6.334 1.00 0.00 H new ATOM 0 HB3 LYS p 54 2.426 -10.059 -7.343 1.00 0.00 H new ATOM 0 HG2 LYS p 54 4.396 -8.886 -6.395 1.00 0.00 H new ATOM 0 HG3 LYS p 54 4.731 -10.266 -5.369 1.00 0.00 H new ATOM 0 HD2 LYS p 54 5.003 -11.699 -7.396 1.00 0.00 H new ATOM 0 HD3 LYS p 54 4.686 -10.310 -8.415 1.00 0.00 H new ATOM 0 HE2 LYS p 54 6.667 -9.148 -7.459 1.00 0.00 H new ATOM 0 HE3 LYS p 54 6.982 -10.529 -6.426 1.00 0.00 H new ATOM 0 HZ1 LYS p 54 8.356 -10.583 -8.403 1.00 0.00 H new ATOM 0 HZ2 LYS p 54 7.289 -11.904 -8.403 1.00 0.00 H new ATOM 0 HZ3 LYS p 54 6.984 -10.566 -9.404 1.00 0.00 H new ATOM 859 N LYS p 55 -0.177 -10.786 -4.926 1.00 0.00 N ATOM 860 CA LYS p 55 -1.590 -11.047 -5.082 1.00 0.00 C ATOM 861 C LYS p 55 -2.368 -10.263 -4.046 1.00 0.00 C ATOM 862 O LYS p 55 -3.427 -9.708 -4.344 1.00 0.00 O ATOM 863 CB LYS p 55 -1.869 -12.538 -4.954 1.00 0.00 C ATOM 864 CG LYS p 55 -1.759 -13.294 -6.269 1.00 0.00 C ATOM 865 CD LYS p 55 -2.410 -14.666 -6.182 1.00 0.00 C ATOM 866 CE LYS p 55 -2.312 -15.413 -7.502 1.00 0.00 C ATOM 867 NZ LYS p 55 -2.960 -16.752 -7.433 1.00 0.00 N ATOM 0 H LYS p 55 0.262 -11.377 -4.220 1.00 0.00 H new ATOM 0 HA LYS p 55 -1.908 -10.728 -6.075 1.00 0.00 H new ATOM 0 HB2 LYS p 55 -1.170 -12.969 -4.237 1.00 0.00 H new ATOM 0 HB3 LYS p 55 -2.870 -12.678 -4.547 1.00 0.00 H new ATOM 0 HG2 LYS p 55 -2.232 -12.716 -7.063 1.00 0.00 H new ATOM 0 HG3 LYS p 55 -0.709 -13.405 -6.539 1.00 0.00 H new ATOM 0 HD2 LYS p 55 -1.929 -15.249 -5.396 1.00 0.00 H new ATOM 0 HD3 LYS p 55 -3.458 -14.556 -5.902 1.00 0.00 H new ATOM 0 HE2 LYS p 55 -2.782 -14.823 -8.289 1.00 0.00 H new ATOM 0 HE3 LYS p 55 -1.263 -15.531 -7.775 1.00 0.00 H new ATOM 0 HZ1 LYS p 55 -2.871 -17.229 -8.353 1.00 0.00 H new ATOM 0 HZ2 LYS p 55 -2.495 -17.325 -6.700 1.00 0.00 H new ATOM 0 HZ3 LYS p 55 -3.967 -16.639 -7.198 1.00 0.00 H new ATOM 881 N LYS p 56 -1.822 -10.225 -2.816 1.00 0.00 N ATOM 882 CA LYS p 56 -2.437 -9.444 -1.714 1.00 0.00 C ATOM 883 C LYS p 56 -2.170 -7.949 -1.930 1.00 0.00 C ATOM 884 O LYS p 56 -2.756 -7.081 -1.281 1.00 0.00 O ATOM 885 CB LYS p 56 -1.907 -9.879 -0.353 1.00 0.00 C ATOM 886 CG LYS p 56 -2.700 -11.019 0.265 1.00 0.00 C ATOM 887 CD LYS p 56 -2.251 -11.306 1.688 1.00 0.00 C ATOM 888 CE LYS p 56 -3.045 -12.446 2.304 1.00 0.00 C ATOM 889 NZ LYS p 56 -2.617 -12.731 3.702 1.00 0.00 N ATOM 0 H LYS p 56 -0.967 -10.718 -2.557 1.00 0.00 H new ATOM 0 HA LYS p 56 -3.511 -9.631 -1.725 1.00 0.00 H new ATOM 0 HB2 LYS p 56 -0.866 -10.185 -0.457 1.00 0.00 H new ATOM 0 HB3 LYS p 56 -1.923 -9.026 0.325 1.00 0.00 H new ATOM 0 HG2 LYS p 56 -3.761 -10.769 0.261 1.00 0.00 H new ATOM 0 HG3 LYS p 56 -2.582 -11.916 -0.342 1.00 0.00 H new ATOM 0 HD2 LYS p 56 -1.190 -11.556 1.692 1.00 0.00 H new ATOM 0 HD3 LYS p 56 -2.369 -10.409 2.296 1.00 0.00 H new ATOM 0 HE2 LYS p 56 -4.106 -12.196 2.293 1.00 0.00 H new ATOM 0 HE3 LYS p 56 -2.922 -13.343 1.697 1.00 0.00 H new ATOM 0 HZ1 LYS p 56 -3.183 -13.515 4.085 1.00 0.00 H new ATOM 0 HZ2 LYS p 56 -1.611 -12.994 3.710 1.00 0.00 H new ATOM 0 HZ3 LYS p 56 -2.758 -11.883 4.288 1.00 0.00 H new ATOM 903 N LEU p 57 -1.256 -7.712 -2.869 1.00 0.00 N ATOM 904 CA LEU p 57 -0.821 -6.410 -3.328 1.00 0.00 C ATOM 905 C LEU p 57 -1.669 -6.069 -4.512 1.00 0.00 C ATOM 906 O LEU p 57 -2.176 -4.965 -4.641 1.00 0.00 O ATOM 907 CB LEU p 57 0.635 -6.469 -3.768 1.00 0.00 C ATOM 908 CG LEU p 57 1.678 -5.910 -2.813 1.00 0.00 C ATOM 909 CD1 LEU p 57 1.710 -6.694 -1.506 1.00 0.00 C ATOM 910 CD2 LEU p 57 3.017 -5.972 -3.505 1.00 0.00 C ATOM 0 H LEU p 57 -0.777 -8.472 -3.352 1.00 0.00 H new ATOM 0 HA LEU p 57 -0.914 -5.670 -2.533 1.00 0.00 H new ATOM 0 HB2 LEU p 57 0.885 -7.511 -3.967 1.00 0.00 H new ATOM 0 HB3 LEU p 57 0.723 -5.934 -4.714 1.00 0.00 H new ATOM 0 HG LEU p 57 1.429 -4.880 -2.557 1.00 0.00 H new ATOM 0 HD11 LEU p 57 2.466 -6.269 -0.845 1.00 0.00 H new ATOM 0 HD12 LEU p 57 0.734 -6.638 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU p 57 1.953 -7.736 -1.713 1.00 0.00 H new ATOM 0 HD21 LEU p 57 3.787 -5.577 -2.843 1.00 0.00 H new ATOM 0 HD22 LEU p 57 3.250 -7.007 -3.755 1.00 0.00 H new ATOM 0 HD23 LEU p 57 2.983 -5.377 -4.418 1.00 0.00 H new ATOM 922 N ALA p 58 -1.788 -7.080 -5.388 1.00 0.00 N ATOM 923 CA ALA p 58 -2.648 -6.988 -6.591 1.00 0.00 C ATOM 924 C ALA p 58 -4.110 -6.795 -6.177 1.00 0.00 C ATOM 925 O ALA p 58 -4.946 -6.337 -6.962 1.00 0.00 O ATOM 926 CB ALA p 58 -2.515 -8.224 -7.466 1.00 0.00 C ATOM 0 H ALA p 58 -1.302 -7.972 -5.291 1.00 0.00 H new ATOM 0 HA ALA p 58 -2.319 -6.127 -7.173 1.00 0.00 H new ATOM 0 HB1 ALA p 58 -3.159 -8.123 -8.339 1.00 0.00 H new ATOM 0 HB2 ALA p 58 -1.480 -8.331 -7.790 1.00 0.00 H new ATOM 0 HB3 ALA p 58 -2.810 -9.106 -6.897 1.00 0.00 H new ATOM 932 N GLN p 59 -4.379 -7.161 -4.919 1.00 0.00 N ATOM 933 CA GLN p 59 -5.662 -7.033 -4.285 1.00 0.00 C ATOM 934 C GLN p 59 -5.705 -5.697 -3.539 1.00 0.00 C ATOM 935 O GLN p 59 -6.766 -5.122 -3.331 1.00 0.00 O ATOM 936 CB GLN p 59 -5.819 -8.216 -3.327 1.00 0.00 C ATOM 937 CG GLN p 59 -6.893 -8.038 -2.286 1.00 0.00 C ATOM 938 CD GLN p 59 -7.893 -9.178 -2.258 1.00 0.00 C ATOM 939 OE1 GLN p 59 -7.711 -10.162 -1.540 1.00 0.00 O ATOM 940 NE2 GLN p 59 -8.957 -9.053 -3.043 1.00 0.00 N ATOM 0 H GLN p 59 -3.672 -7.567 -4.306 1.00 0.00 H new ATOM 0 HA GLN p 59 -6.480 -7.044 -5.006 1.00 0.00 H new ATOM 0 HB2 GLN p 59 -6.039 -9.111 -3.908 1.00 0.00 H new ATOM 0 HB3 GLN p 59 -4.868 -8.388 -2.824 1.00 0.00 H new ATOM 0 HG2 GLN p 59 -6.427 -7.948 -1.305 1.00 0.00 H new ATOM 0 HG3 GLN p 59 -7.422 -7.104 -2.475 1.00 0.00 H new ATOM 0 HE21 GLN p 59 -9.069 -8.221 -3.622 1.00 0.00 H new ATOM 0 HE22 GLN p 59 -9.663 -9.789 -3.067 1.00 0.00 H new ATOM 949 N LEU p 60 -4.509 -5.244 -3.154 1.00 0.00 N ATOM 950 CA LEU p 60 -4.298 -3.983 -2.442 1.00 0.00 C ATOM 951 C LEU p 60 -4.110 -2.845 -3.454 1.00 0.00 C ATOM 952 O LEU p 60 -4.123 -1.663 -3.112 1.00 0.00 O ATOM 953 CB LEU p 60 -3.070 -4.109 -1.522 1.00 0.00 C ATOM 954 CG LEU p 60 -2.824 -2.973 -0.510 1.00 0.00 C ATOM 955 CD1 LEU p 60 -1.833 -1.986 -1.091 1.00 0.00 C ATOM 956 CD2 LEU p 60 -4.121 -2.266 -0.139 1.00 0.00 C ATOM 0 H LEU p 60 -3.644 -5.754 -3.332 1.00 0.00 H new ATOM 0 HA LEU p 60 -5.169 -3.756 -1.827 1.00 0.00 H new ATOM 0 HB2 LEU p 60 -3.160 -5.042 -0.966 1.00 0.00 H new ATOM 0 HB3 LEU p 60 -2.185 -4.197 -2.152 1.00 0.00 H new ATOM 0 HG LEU p 60 -2.415 -3.407 0.403 1.00 0.00 H new ATOM 0 HD11 LEU p 60 -1.658 -1.182 -0.376 1.00 0.00 H new ATOM 0 HD12 LEU p 60 -0.893 -2.496 -1.301 1.00 0.00 H new ATOM 0 HD13 LEU p 60 -2.234 -1.569 -2.015 1.00 0.00 H new ATOM 0 HD21 LEU p 60 -3.910 -1.471 0.576 1.00 0.00 H new ATOM 0 HD22 LEU p 60 -4.571 -1.838 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU p 60 -4.811 -2.982 0.307 1.00 0.00 H new ATOM 968 N LYS p 61 -3.930 -3.273 -4.693 1.00 0.00 N ATOM 969 CA LYS p 61 -3.763 -2.447 -5.867 1.00 0.00 C ATOM 970 C LYS p 61 -5.133 -2.308 -6.478 1.00 0.00 C ATOM 971 O LYS p 61 -5.492 -1.283 -7.054 1.00 0.00 O ATOM 972 CB LYS p 61 -2.797 -3.118 -6.839 1.00 0.00 C ATOM 973 CG LYS p 61 -1.356 -2.677 -6.672 1.00 0.00 C ATOM 974 CD LYS p 61 -0.511 -3.052 -7.882 1.00 0.00 C ATOM 975 CE LYS p 61 0.941 -2.628 -7.711 1.00 0.00 C ATOM 976 NZ LYS p 61 1.117 -1.153 -7.846 1.00 0.00 N ATOM 0 H LYS p 61 -3.895 -4.268 -4.914 1.00 0.00 H new ATOM 0 HA LYS p 61 -3.346 -1.470 -5.622 1.00 0.00 H new ATOM 0 HB2 LYS p 61 -2.854 -4.198 -6.706 1.00 0.00 H new ATOM 0 HB3 LYS p 61 -3.116 -2.905 -7.859 1.00 0.00 H new ATOM 0 HG2 LYS p 61 -1.320 -1.598 -6.523 1.00 0.00 H new ATOM 0 HG3 LYS p 61 -0.936 -3.137 -5.777 1.00 0.00 H new ATOM 0 HD2 LYS p 61 -0.559 -4.130 -8.039 1.00 0.00 H new ATOM 0 HD3 LYS p 61 -0.924 -2.581 -8.774 1.00 0.00 H new ATOM 0 HE2 LYS p 61 1.298 -2.947 -6.732 1.00 0.00 H new ATOM 0 HE3 LYS p 61 1.556 -3.135 -8.455 1.00 0.00 H new ATOM 0 HZ1 LYS p 61 2.121 -0.910 -7.722 1.00 0.00 H new ATOM 0 HZ2 LYS p 61 0.802 -0.851 -8.790 1.00 0.00 H new ATOM 0 HZ3 LYS p 61 0.552 -0.668 -7.120 1.00 0.00 H new ATOM 990 N TRP p 62 -5.884 -3.406 -6.313 1.00 0.00 N ATOM 991 CA TRP p 62 -7.275 -3.504 -6.718 1.00 0.00 C ATOM 992 C TRP p 62 -8.084 -2.760 -5.676 1.00 0.00 C ATOM 993 O TRP p 62 -9.140 -2.190 -5.964 1.00 0.00 O ATOM 994 CB TRP p 62 -7.718 -4.963 -6.802 1.00 0.00 C ATOM 995 CG TRP p 62 -8.503 -5.278 -8.042 1.00 0.00 C ATOM 996 CD1 TRP p 62 -9.863 -5.325 -8.155 1.00 0.00 C ATOM 997 CD2 TRP p 62 -7.981 -5.590 -9.344 1.00 0.00 C ATOM 998 NE1 TRP p 62 -10.220 -5.646 -9.442 1.00 0.00 N ATOM 999 CE2 TRP p 62 -9.084 -5.812 -10.191 1.00 0.00 C ATOM 1000 CE3 TRP p 62 -6.691 -5.700 -9.879 1.00 0.00 C ATOM 1001 CZ2 TRP p 62 -8.938 -6.139 -11.536 1.00 0.00 C ATOM 1002 CZ3 TRP p 62 -6.548 -6.025 -11.215 1.00 0.00 C ATOM 1003 CH2 TRP p 62 -7.667 -6.240 -12.031 1.00 0.00 C ATOM 0 H TRP p 62 -5.526 -4.261 -5.886 1.00 0.00 H new ATOM 0 HA TRP p 62 -7.420 -3.073 -7.709 1.00 0.00 H new ATOM 0 HB2 TRP p 62 -6.838 -5.605 -6.766 1.00 0.00 H new ATOM 0 HB3 TRP p 62 -8.323 -5.202 -5.927 1.00 0.00 H new ATOM 0 HD1 TRP p 62 -10.557 -5.137 -7.349 1.00 0.00 H new ATOM 0 HE1 TRP p 62 -11.176 -5.745 -9.785 1.00 0.00 H new ATOM 0 HE3 TRP p 62 -5.823 -5.534 -9.258 1.00 0.00 H new ATOM 0 HZ2 TRP p 62 -9.798 -6.307 -12.167 1.00 0.00 H new ATOM 0 HZ3 TRP p 62 -5.558 -6.115 -11.637 1.00 0.00 H new ATOM 0 HH2 TRP p 62 -7.523 -6.490 -13.072 1.00 0.00 H new ATOM 1014 N LYS p 63 -7.544 -2.789 -4.445 1.00 0.00 N ATOM 1015 CA LYS p 63 -8.131 -2.049 -3.321 1.00 0.00 C ATOM 1016 C LYS p 63 -7.632 -0.598 -3.337 1.00 0.00 C ATOM 1017 O LYS p 63 -8.154 0.253 -2.624 1.00 0.00 O ATOM 1018 CB LYS p 63 -7.810 -2.700 -1.980 1.00 0.00 C ATOM 1019 CG LYS p 63 -8.776 -3.808 -1.595 1.00 0.00 C ATOM 1020 CD LYS p 63 -8.531 -4.292 -0.175 1.00 0.00 C ATOM 1021 CE LYS p 63 -9.489 -5.409 0.205 1.00 0.00 C ATOM 1022 NZ LYS p 63 -9.256 -5.892 1.595 1.00 0.00 N ATOM 0 H LYS p 63 -6.704 -3.316 -4.206 1.00 0.00 H new ATOM 0 HA LYS p 63 -9.214 -2.066 -3.441 1.00 0.00 H new ATOM 0 HB2 LYS p 63 -6.799 -3.107 -2.016 1.00 0.00 H new ATOM 0 HB3 LYS p 63 -7.819 -1.936 -1.203 1.00 0.00 H new ATOM 0 HG2 LYS p 63 -9.800 -3.447 -1.686 1.00 0.00 H new ATOM 0 HG3 LYS p 63 -8.669 -4.642 -2.288 1.00 0.00 H new ATOM 0 HD2 LYS p 63 -7.504 -4.645 -0.082 1.00 0.00 H new ATOM 0 HD3 LYS p 63 -8.647 -3.460 0.519 1.00 0.00 H new ATOM 0 HE2 LYS p 63 -10.515 -5.054 0.111 1.00 0.00 H new ATOM 0 HE3 LYS p 63 -9.373 -6.239 -0.492 1.00 0.00 H new ATOM 0 HZ1 LYS p 63 -9.929 -6.653 1.815 1.00 0.00 H new ATOM 0 HZ2 LYS p 63 -8.285 -6.254 1.678 1.00 0.00 H new ATOM 0 HZ3 LYS p 63 -9.391 -5.106 2.263 1.00 0.00 H new ATOM 1036 N LEU p 64 -6.583 -0.368 -4.146 1.00 0.00 N ATOM 1037 CA LEU p 64 -5.948 0.942 -4.341 1.00 0.00 C ATOM 1038 C LEU p 64 -6.688 1.749 -5.416 1.00 0.00 C ATOM 1039 O LEU p 64 -6.486 2.945 -5.583 1.00 0.00 O ATOM 1040 CB LEU p 64 -4.470 0.719 -4.733 1.00 0.00 C ATOM 1041 CG LEU p 64 -3.531 1.940 -4.800 1.00 0.00 C ATOM 1042 CD1 LEU p 64 -3.423 2.430 -6.228 1.00 0.00 C ATOM 1043 CD2 LEU p 64 -4.000 3.055 -3.887 1.00 0.00 C ATOM 0 H LEU p 64 -6.145 -1.108 -4.695 1.00 0.00 H new ATOM 0 HA LEU p 64 -5.995 1.517 -3.416 1.00 0.00 H new ATOM 0 HB2 LEU p 64 -4.042 0.011 -4.023 1.00 0.00 H new ATOM 0 HB3 LEU p 64 -4.456 0.237 -5.711 1.00 0.00 H new ATOM 0 HG LEU p 64 -2.545 1.629 -4.454 1.00 0.00 H new ATOM 0 HD11 LEU p 64 -2.758 3.293 -6.267 1.00 0.00 H new ATOM 0 HD12 LEU p 64 -3.023 1.634 -6.856 1.00 0.00 H new ATOM 0 HD13 LEU p 64 -4.410 2.716 -6.590 1.00 0.00 H new ATOM 0 HD21 LEU p 64 -3.314 3.899 -3.961 1.00 0.00 H new ATOM 0 HD22 LEU p 64 -4.999 3.373 -4.185 1.00 0.00 H new ATOM 0 HD23 LEU p 64 -4.025 2.696 -2.858 1.00 0.00 H new ATOM 1055 N GLN p 65 -7.527 1.022 -6.113 1.00 0.00 N ATOM 1056 CA GLN p 65 -8.401 1.478 -7.178 1.00 0.00 C ATOM 1057 C GLN p 65 -9.713 1.764 -6.529 1.00 0.00 C ATOM 1058 O GLN p 65 -10.541 2.538 -6.989 1.00 0.00 O ATOM 1059 CB GLN p 65 -8.598 0.344 -8.152 1.00 0.00 C ATOM 1060 CG GLN p 65 -7.358 0.012 -8.931 1.00 0.00 C ATOM 1061 CD GLN p 65 -7.568 0.040 -10.433 1.00 0.00 C ATOM 1062 OE1 GLN p 65 -7.918 -0.970 -11.042 1.00 0.00 O ATOM 1063 NE2 GLN p 65 -7.353 1.203 -11.038 1.00 0.00 N ATOM 0 H GLN p 65 -7.628 0.022 -5.941 1.00 0.00 H new ATOM 0 HA GLN p 65 -7.996 2.346 -7.697 1.00 0.00 H new ATOM 0 HB2 GLN p 65 -8.925 -0.542 -7.607 1.00 0.00 H new ATOM 0 HB3 GLN p 65 -9.397 0.604 -8.846 1.00 0.00 H new ATOM 0 HG2 GLN p 65 -6.572 0.719 -8.668 1.00 0.00 H new ATOM 0 HG3 GLN p 65 -7.008 -0.978 -8.638 1.00 0.00 H new ATOM 0 HE21 GLN p 65 -7.064 2.015 -10.493 1.00 0.00 H new ATOM 0 HE22 GLN p 65 -7.477 1.284 -12.047 1.00 0.00 H new ATOM 1072 N ALA p 66 -9.830 1.020 -5.451 1.00 0.00 N ATOM 1073 CA ALA p 66 -10.948 1.036 -4.517 1.00 0.00 C ATOM 1074 C ALA p 66 -10.650 2.071 -3.452 1.00 0.00 C ATOM 1075 O ALA p 66 -11.550 2.576 -2.786 1.00 0.00 O ATOM 1076 CB ALA p 66 -11.166 -0.333 -3.892 1.00 0.00 C ATOM 0 H ALA p 66 -9.111 0.348 -5.183 1.00 0.00 H new ATOM 0 HA ALA p 66 -11.866 1.291 -5.046 1.00 0.00 H new ATOM 0 HB1 ALA p 66 -12.007 -0.287 -3.200 1.00 0.00 H new ATOM 0 HB2 ALA p 66 -11.379 -1.061 -4.675 1.00 0.00 H new ATOM 0 HB3 ALA p 66 -10.268 -0.634 -3.352 1.00 0.00 H new ATOM 1082 N LEU p 67 -9.343 2.350 -3.317 1.00 0.00 N ATOM 1083 CA LEU p 67 -8.823 3.371 -2.416 1.00 0.00 C ATOM 1084 C LEU p 67 -8.841 4.677 -3.200 1.00 0.00 C ATOM 1085 O LEU p 67 -9.034 5.761 -2.661 1.00 0.00 O ATOM 1086 CB LEU p 67 -7.388 3.038 -1.940 1.00 0.00 C ATOM 1087 CG LEU p 67 -6.743 4.022 -0.935 1.00 0.00 C ATOM 1088 CD1 LEU p 67 -5.780 4.949 -1.655 1.00 0.00 C ATOM 1089 CD2 LEU p 67 -7.805 4.843 -0.242 1.00 0.00 C ATOM 0 H LEU p 67 -8.616 1.863 -3.840 1.00 0.00 H new ATOM 0 HA LEU p 67 -9.433 3.435 -1.515 1.00 0.00 H new ATOM 0 HB2 LEU p 67 -7.402 2.048 -1.485 1.00 0.00 H new ATOM 0 HB3 LEU p 67 -6.744 2.977 -2.817 1.00 0.00 H new ATOM 0 HG LEU p 67 -6.199 3.441 -0.190 1.00 0.00 H new ATOM 0 HD11 LEU p 67 -5.332 5.637 -0.938 1.00 0.00 H new ATOM 0 HD12 LEU p 67 -4.996 4.360 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU p 67 -6.319 5.516 -2.414 1.00 0.00 H new ATOM 0 HD21 LEU p 67 -7.333 5.529 0.461 1.00 0.00 H new ATOM 0 HD22 LEU p 67 -8.366 5.412 -0.983 1.00 0.00 H new ATOM 0 HD23 LEU p 67 -8.483 4.181 0.297 1.00 0.00 H new ATOM 1101 N LYS p 68 -8.608 4.501 -4.487 1.00 0.00 N ATOM 1102 CA LYS p 68 -8.647 5.572 -5.482 1.00 0.00 C ATOM 1103 C LYS p 68 -10.096 5.857 -5.800 1.00 0.00 C ATOM 1104 O LYS p 68 -10.463 6.984 -6.145 1.00 0.00 O ATOM 1105 CB LYS p 68 -7.882 5.219 -6.756 1.00 0.00 C ATOM 1106 CG LYS p 68 -6.436 5.683 -6.742 1.00 0.00 C ATOM 1107 CD LYS p 68 -5.801 5.571 -8.117 1.00 0.00 C ATOM 1108 CE LYS p 68 -4.355 6.039 -8.104 1.00 0.00 C ATOM 1109 NZ LYS p 68 -3.725 5.939 -9.450 1.00 0.00 N ATOM 0 H LYS p 68 -8.380 3.590 -4.886 1.00 0.00 H new ATOM 0 HA LYS p 68 -8.156 6.453 -5.068 1.00 0.00 H new ATOM 0 HB2 LYS p 68 -7.907 4.139 -6.898 1.00 0.00 H new ATOM 0 HB3 LYS p 68 -8.390 5.665 -7.611 1.00 0.00 H new ATOM 0 HG2 LYS p 68 -6.388 6.717 -6.401 1.00 0.00 H new ATOM 0 HG3 LYS p 68 -5.868 5.086 -6.028 1.00 0.00 H new ATOM 0 HD2 LYS p 68 -5.846 4.536 -8.456 1.00 0.00 H new ATOM 0 HD3 LYS p 68 -6.370 6.166 -8.831 1.00 0.00 H new ATOM 0 HE2 LYS p 68 -4.311 7.072 -7.759 1.00 0.00 H new ATOM 0 HE3 LYS p 68 -3.786 5.441 -7.392 1.00 0.00 H new ATOM 0 HZ1 LYS p 68 -2.740 6.268 -9.397 1.00 0.00 H new ATOM 0 HZ2 LYS p 68 -3.743 4.949 -9.769 1.00 0.00 H new ATOM 0 HZ3 LYS p 68 -4.252 6.530 -10.125 1.00 0.00 H new ATOM 1123 N LYS p 69 -10.914 4.795 -5.694 1.00 0.00 N ATOM 1124 CA LYS p 69 -12.354 4.914 -5.849 1.00 0.00 C ATOM 1125 C LYS p 69 -12.900 5.498 -4.557 1.00 0.00 C ATOM 1126 O LYS p 69 -13.934 6.151 -4.548 1.00 0.00 O ATOM 1127 CB LYS p 69 -13.003 3.568 -6.139 1.00 0.00 C ATOM 1128 CG LYS p 69 -13.396 3.382 -7.593 1.00 0.00 C ATOM 1129 CD LYS p 69 -14.438 2.287 -7.753 1.00 0.00 C ATOM 1130 CE LYS p 69 -14.836 2.105 -9.209 1.00 0.00 C ATOM 1131 NZ LYS p 69 -15.861 1.038 -9.376 1.00 0.00 N ATOM 0 H LYS p 69 -10.590 3.847 -5.501 1.00 0.00 H new ATOM 0 HA LYS p 69 -12.581 5.558 -6.698 1.00 0.00 H new ATOM 0 HB2 LYS p 69 -12.314 2.773 -5.853 1.00 0.00 H new ATOM 0 HB3 LYS p 69 -13.890 3.460 -5.515 1.00 0.00 H new ATOM 0 HG2 LYS p 69 -13.788 4.319 -7.988 1.00 0.00 H new ATOM 0 HG3 LYS p 69 -12.512 3.133 -8.181 1.00 0.00 H new ATOM 0 HD2 LYS p 69 -14.044 1.349 -7.362 1.00 0.00 H new ATOM 0 HD3 LYS p 69 -15.320 2.533 -7.162 1.00 0.00 H new ATOM 0 HE2 LYS p 69 -15.224 3.046 -9.599 1.00 0.00 H new ATOM 0 HE3 LYS p 69 -13.953 1.856 -9.798 1.00 0.00 H new ATOM 0 HZ1 LYS p 69 -16.105 0.946 -10.383 1.00 0.00 H new ATOM 0 HZ2 LYS p 69 -15.482 0.135 -9.027 1.00 0.00 H new ATOM 0 HZ3 LYS p 69 -16.713 1.288 -8.835 1.00 0.00 H new ATOM 1145 N LYS p 70 -12.128 5.254 -3.480 1.00 0.00 N ATOM 1146 CA LYS p 70 -12.395 5.763 -2.137 1.00 0.00 C ATOM 1147 C LYS p 70 -11.798 7.149 -2.034 1.00 0.00 C ATOM 1148 O LYS p 70 -12.153 7.932 -1.159 1.00 0.00 O ATOM 1149 CB LYS p 70 -11.782 4.854 -1.082 1.00 0.00 C ATOM 1150 CG LYS p 70 -12.797 4.115 -0.225 1.00 0.00 C ATOM 1151 CD LYS p 70 -13.078 4.849 1.078 1.00 0.00 C ATOM 1152 CE LYS p 70 -14.080 4.095 1.938 1.00 0.00 C ATOM 1153 NZ LYS p 70 -14.352 4.800 3.221 1.00 0.00 N ATOM 0 H LYS p 70 -11.284 4.683 -3.530 1.00 0.00 H new ATOM 0 HA LYS p 70 -13.471 5.795 -1.964 1.00 0.00 H new ATOM 0 HB2 LYS p 70 -11.142 4.124 -1.577 1.00 0.00 H new ATOM 0 HB3 LYS p 70 -11.142 5.451 -0.432 1.00 0.00 H new ATOM 0 HG2 LYS p 70 -13.726 3.996 -0.783 1.00 0.00 H new ATOM 0 HG3 LYS p 70 -12.427 3.114 -0.005 1.00 0.00 H new ATOM 0 HD2 LYS p 70 -12.148 4.979 1.631 1.00 0.00 H new ATOM 0 HD3 LYS p 70 -13.462 5.846 0.860 1.00 0.00 H new ATOM 0 HE2 LYS p 70 -15.012 3.972 1.386 1.00 0.00 H new ATOM 0 HE3 LYS p 70 -13.699 3.095 2.147 1.00 0.00 H new ATOM 0 HZ1 LYS p 70 -15.040 4.254 3.778 1.00 0.00 H new ATOM 0 HZ2 LYS p 70 -13.467 4.895 3.759 1.00 0.00 H new ATOM 0 HZ3 LYS p 70 -14.739 5.745 3.023 1.00 0.00 H new ATOM 1167 N ASN p 71 -10.838 7.390 -2.939 1.00 0.00 N ATOM 1168 CA ASN p 71 -10.188 8.688 -3.106 1.00 0.00 C ATOM 1169 C ASN p 71 -11.064 9.477 -4.073 1.00 0.00 C ATOM 1170 O ASN p 71 -10.908 10.680 -4.250 1.00 0.00 O ATOM 1171 CB ASN p 71 -8.765 8.551 -3.659 1.00 0.00 C ATOM 1172 CG ASN p 71 -7.888 9.744 -3.320 1.00 0.00 C ATOM 1173 OD1 ASN p 71 -7.222 9.765 -2.285 1.00 0.00 O ATOM 1174 ND2 ASN p 71 -7.885 10.744 -4.193 1.00 0.00 N ATOM 0 H ASN p 71 -10.491 6.677 -3.581 1.00 0.00 H new ATOM 0 HA ASN p 71 -10.089 9.191 -2.144 1.00 0.00 H new ATOM 0 HB2 ASN p 71 -8.310 7.645 -3.259 1.00 0.00 H new ATOM 0 HB3 ASN p 71 -8.810 8.434 -4.742 1.00 0.00 H new ATOM 0 HD21 ASN p 71 -7.315 11.572 -4.018 1.00 0.00 H new ATOM 0 HD22 ASN p 71 -8.452 10.685 -5.038 1.00 0.00 H new ATOM 1181 N ALA p 72 -11.963 8.705 -4.708 1.00 0.00 N ATOM 1182 CA ALA p 72 -12.986 9.179 -5.625 1.00 0.00 C ATOM 1183 C ALA p 72 -14.236 9.404 -4.800 1.00 0.00 C ATOM 1184 O ALA p 72 -15.119 10.170 -5.173 1.00 0.00 O ATOM 1185 CB ALA p 72 -13.243 8.177 -6.740 1.00 0.00 C ATOM 0 H ALA p 72 -11.988 7.693 -4.583 1.00 0.00 H new ATOM 0 HA ALA p 72 -12.666 10.100 -6.112 1.00 0.00 H new ATOM 0 HB1 ALA p 72 -14.013 8.564 -7.407 1.00 0.00 H new ATOM 0 HB2 ALA p 72 -12.324 8.015 -7.303 1.00 0.00 H new ATOM 0 HB3 ALA p 72 -13.576 7.232 -6.310 1.00 0.00 H new ATOM 1191 N GLN p 73 -14.274 8.669 -3.668 1.00 0.00 N ATOM 1192 CA GLN p 73 -15.317 8.767 -2.657 1.00 0.00 C ATOM 1193 C GLN p 73 -14.914 9.890 -1.752 1.00 0.00 C ATOM 1194 O GLN p 73 -15.733 10.548 -1.124 1.00 0.00 O ATOM 1195 CB GLN p 73 -15.404 7.496 -1.837 1.00 0.00 C ATOM 1196 CG GLN p 73 -15.773 6.292 -2.654 1.00 0.00 C ATOM 1197 CD GLN p 73 -17.078 5.653 -2.220 1.00 0.00 C ATOM 1198 OE1 GLN p 73 -18.149 6.003 -2.716 1.00 0.00 O ATOM 1199 NE2 GLN p 73 -16.993 4.709 -1.290 1.00 0.00 N ATOM 0 H GLN p 73 -13.559 7.979 -3.438 1.00 0.00 H new ATOM 0 HA GLN p 73 -16.286 8.930 -3.128 1.00 0.00 H new ATOM 0 HB2 GLN p 73 -14.445 7.318 -1.351 1.00 0.00 H new ATOM 0 HB3 GLN p 73 -16.142 7.631 -1.046 1.00 0.00 H new ATOM 0 HG2 GLN p 73 -15.849 6.581 -3.702 1.00 0.00 H new ATOM 0 HG3 GLN p 73 -14.974 5.554 -2.584 1.00 0.00 H new ATOM 0 HE21 GLN p 73 -16.084 4.451 -0.907 1.00 0.00 H new ATOM 0 HE22 GLN p 73 -17.837 4.242 -0.959 1.00 0.00 H new ATOM 1208 N LEU p 74 -13.590 10.021 -1.686 1.00 0.00 N ATOM 1209 CA LEU p 74 -12.909 11.083 -0.952 1.00 0.00 C ATOM 1210 C LEU p 74 -12.919 12.330 -1.818 1.00 0.00 C ATOM 1211 O LEU p 74 -12.939 13.433 -1.327 1.00 0.00 O ATOM 1212 CB LEU p 74 -11.475 10.681 -0.627 1.00 0.00 C ATOM 1213 CG LEU p 74 -10.786 11.428 0.518 1.00 0.00 C ATOM 1214 CD1 LEU p 74 -11.288 10.962 1.883 1.00 0.00 C ATOM 1215 CD2 LEU p 74 -9.294 11.214 0.396 1.00 0.00 C ATOM 0 H LEU p 74 -12.949 9.378 -2.151 1.00 0.00 H new ATOM 0 HA LEU p 74 -13.422 11.269 -0.008 1.00 0.00 H new ATOM 0 HB2 LEU p 74 -11.467 9.617 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU p 74 -10.874 10.812 -1.527 1.00 0.00 H new ATOM 0 HG LEU p 74 -11.022 12.490 0.444 1.00 0.00 H new ATOM 0 HD11 LEU p 74 -10.774 11.516 2.668 1.00 0.00 H new ATOM 0 HD12 LEU p 74 -12.361 11.139 1.956 1.00 0.00 H new ATOM 0 HD13 LEU p 74 -11.088 9.897 2.000 1.00 0.00 H new ATOM 0 HD21 LEU p 74 -8.784 11.739 1.204 1.00 0.00 H new ATOM 0 HD22 LEU p 74 -9.073 10.149 0.459 1.00 0.00 H new ATOM 0 HD23 LEU p 74 -8.948 11.600 -0.563 1.00 0.00 H new ATOM 1227 N LYS p 75 -12.925 12.099 -3.127 1.00 0.00 N ATOM 1228 CA LYS p 75 -13.009 13.150 -4.135 1.00 0.00 C ATOM 1229 C LYS p 75 -14.470 13.500 -4.261 1.00 0.00 C ATOM 1230 O LYS p 75 -14.848 14.573 -4.739 1.00 0.00 O ATOM 1231 CB LYS p 75 -12.474 12.662 -5.473 1.00 0.00 C ATOM 1232 CG LYS p 75 -11.284 13.443 -6.001 1.00 0.00 C ATOM 1233 CD LYS p 75 -11.708 14.499 -7.013 1.00 0.00 C ATOM 1234 CE LYS p 75 -10.516 15.286 -7.541 1.00 0.00 C ATOM 1235 NZ LYS p 75 -9.691 14.486 -8.492 1.00 0.00 N ATOM 0 H LYS p 75 -12.871 11.161 -3.524 1.00 0.00 H new ATOM 0 HA LYS p 75 -12.411 14.014 -3.845 1.00 0.00 H new ATOM 0 HB2 LYS p 75 -12.190 11.614 -5.375 1.00 0.00 H new ATOM 0 HB3 LYS p 75 -13.277 12.707 -6.209 1.00 0.00 H new ATOM 0 HG2 LYS p 75 -10.766 13.922 -5.170 1.00 0.00 H new ATOM 0 HG3 LYS p 75 -10.576 12.757 -6.466 1.00 0.00 H new ATOM 0 HD2 LYS p 75 -12.224 14.019 -7.845 1.00 0.00 H new ATOM 0 HD3 LYS p 75 -12.419 15.183 -6.549 1.00 0.00 H new ATOM 0 HE2 LYS p 75 -10.870 16.188 -8.040 1.00 0.00 H new ATOM 0 HE3 LYS p 75 -9.895 15.607 -6.705 1.00 0.00 H new ATOM 0 HZ1 LYS p 75 -8.891 15.061 -8.826 1.00 0.00 H new ATOM 0 HZ2 LYS p 75 -9.331 13.638 -8.010 1.00 0.00 H new ATOM 0 HZ3 LYS p 75 -10.275 14.201 -9.304 1.00 0.00 H new ATOM 1249 N LYS p 76 -15.278 12.532 -3.807 1.00 0.00 N ATOM 1250 CA LYS p 76 -16.724 12.674 -3.762 1.00 0.00 C ATOM 1251 C LYS p 76 -17.091 13.286 -2.431 1.00 0.00 C ATOM 1252 O LYS p 76 -18.065 14.037 -2.319 1.00 0.00 O ATOM 1253 CB LYS p 76 -17.416 11.329 -3.939 1.00 0.00 C ATOM 1254 CG LYS p 76 -18.038 11.123 -5.312 1.00 0.00 C ATOM 1255 CD LYS p 76 -19.510 11.512 -5.328 1.00 0.00 C ATOM 1256 CE LYS p 76 -20.129 11.292 -6.698 1.00 0.00 C ATOM 1257 NZ LYS p 76 -21.576 11.645 -6.716 1.00 0.00 N ATOM 0 H LYS p 76 -14.940 11.633 -3.463 1.00 0.00 H new ATOM 0 HA LYS p 76 -17.055 13.315 -4.579 1.00 0.00 H new ATOM 0 HB2 LYS p 76 -16.692 10.534 -3.757 1.00 0.00 H new ATOM 0 HB3 LYS p 76 -18.194 11.231 -3.182 1.00 0.00 H new ATOM 0 HG2 LYS p 76 -17.497 11.716 -6.049 1.00 0.00 H new ATOM 0 HG3 LYS p 76 -17.935 10.078 -5.605 1.00 0.00 H new ATOM 0 HD2 LYS p 76 -20.050 10.926 -4.585 1.00 0.00 H new ATOM 0 HD3 LYS p 76 -19.614 12.559 -5.045 1.00 0.00 H new ATOM 0 HE2 LYS p 76 -19.599 11.893 -7.437 1.00 0.00 H new ATOM 0 HE3 LYS p 76 -20.006 10.249 -6.989 1.00 0.00 H new ATOM 0 HZ1 LYS p 76 -21.962 11.481 -7.668 1.00 0.00 H new ATOM 0 HZ2 LYS p 76 -22.086 11.054 -6.029 1.00 0.00 H new ATOM 0 HZ3 LYS p 76 -21.692 12.647 -6.463 1.00 0.00 H new ATOM 1271 N LYS p 77 -16.283 12.945 -1.419 1.00 0.00 N ATOM 1272 CA LYS p 77 -16.447 13.496 -0.089 1.00 0.00 C ATOM 1273 C LYS p 77 -15.683 14.810 0.028 1.00 0.00 C ATOM 1274 O LYS p 77 -15.927 15.597 0.947 1.00 0.00 O ATOM 1275 CB LYS p 77 -15.973 12.507 0.968 1.00 0.00 C ATOM 1276 CG LYS p 77 -17.079 11.631 1.525 1.00 0.00 C ATOM 1277 CD LYS p 77 -16.652 10.943 2.811 1.00 0.00 C ATOM 1278 CE LYS p 77 -17.768 10.085 3.383 1.00 0.00 C ATOM 1279 NZ LYS p 77 -17.363 9.419 4.651 1.00 0.00 N ATOM 0 H LYS p 77 -15.509 12.286 -1.508 1.00 0.00 H new ATOM 0 HA LYS p 77 -17.507 13.688 0.080 1.00 0.00 H new ATOM 0 HB2 LYS p 77 -15.200 11.871 0.537 1.00 0.00 H new ATOM 0 HB3 LYS p 77 -15.511 13.058 1.787 1.00 0.00 H new ATOM 0 HG2 LYS p 77 -17.965 12.238 1.713 1.00 0.00 H new ATOM 0 HG3 LYS p 77 -17.357 10.881 0.785 1.00 0.00 H new ATOM 0 HD2 LYS p 77 -15.777 10.322 2.619 1.00 0.00 H new ATOM 0 HD3 LYS p 77 -16.356 11.693 3.545 1.00 0.00 H new ATOM 0 HE2 LYS p 77 -18.646 10.705 3.563 1.00 0.00 H new ATOM 0 HE3 LYS p 77 -18.056 9.329 2.652 1.00 0.00 H new ATOM 0 HZ1 LYS p 77 -18.152 8.844 5.008 1.00 0.00 H new ATOM 0 HZ2 LYS p 77 -16.541 8.807 4.475 1.00 0.00 H new ATOM 0 HZ3 LYS p 77 -17.113 10.140 5.357 1.00 0.00 H new ATOM 1293 N LEU p 78 -14.747 15.032 -0.917 1.00 0.00 N ATOM 1294 CA LEU p 78 -13.946 16.266 -0.967 1.00 0.00 C ATOM 1295 C LEU p 78 -14.819 17.518 -1.043 1.00 0.00 C ATOM 1296 O LEU p 78 -14.764 18.390 -0.171 1.00 0.00 O ATOM 1297 CB LEU p 78 -13.023 16.222 -2.189 1.00 0.00 C ATOM 1298 CG LEU p 78 -11.523 16.165 -1.906 1.00 0.00 C ATOM 1299 CD1 LEU p 78 -10.770 15.896 -3.193 1.00 0.00 C ATOM 1300 CD2 LEU p 78 -11.045 17.462 -1.283 1.00 0.00 C ATOM 0 H LEU p 78 -14.529 14.367 -1.659 1.00 0.00 H new ATOM 0 HA LEU p 78 -13.365 16.320 -0.046 1.00 0.00 H new ATOM 0 HB2 LEU p 78 -13.291 15.352 -2.788 1.00 0.00 H new ATOM 0 HB3 LEU p 78 -13.222 17.103 -2.799 1.00 0.00 H new ATOM 0 HG LEU p 78 -11.331 15.356 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU p 78 -9.700 15.856 -2.987 1.00 0.00 H new ATOM 0 HD12 LEU p 78 -11.095 14.944 -3.612 1.00 0.00 H new ATOM 0 HD13 LEU p 78 -10.973 16.695 -3.907 1.00 0.00 H new ATOM 0 HD21 LEU p 78 -9.974 17.400 -1.090 1.00 0.00 H new ATOM 0 HD22 LEU p 78 -11.243 18.288 -1.966 1.00 0.00 H new ATOM 0 HD23 LEU p 78 -11.574 17.632 -0.345 1.00 0.00 H new ATOM 1312 N GLN p 79 -15.612 17.573 -2.103 1.00 0.00 N ATOM 1313 CA GLN p 79 -16.537 18.671 -2.365 1.00 0.00 C ATOM 1314 C GLN p 79 -17.884 18.450 -1.676 1.00 0.00 C ATOM 1315 O GLN p 79 -18.463 19.377 -1.104 1.00 0.00 O ATOM 1316 CB GLN p 79 -16.736 18.845 -3.880 1.00 0.00 C ATOM 1317 CG GLN p 79 -16.754 17.549 -4.693 1.00 0.00 C ATOM 1318 CD GLN p 79 -16.966 17.794 -6.174 1.00 0.00 C ATOM 1319 OE1 GLN p 79 -18.099 17.821 -6.655 1.00 0.00 O ATOM 1320 NE2 GLN p 79 -15.872 17.973 -6.907 1.00 0.00 N ATOM 0 H GLN p 79 -15.633 16.846 -2.818 1.00 0.00 H new ATOM 0 HA GLN p 79 -16.100 19.581 -1.953 1.00 0.00 H new ATOM 0 HB2 GLN p 79 -17.675 19.372 -4.048 1.00 0.00 H new ATOM 0 HB3 GLN p 79 -15.940 19.483 -4.263 1.00 0.00 H new ATOM 0 HG2 GLN p 79 -15.812 17.020 -4.547 1.00 0.00 H new ATOM 0 HG3 GLN p 79 -17.546 16.900 -4.319 1.00 0.00 H new ATOM 0 HE21 GLN p 79 -14.952 17.943 -6.467 1.00 0.00 H new ATOM 0 HE22 GLN p 79 -15.952 18.141 -7.910 1.00 0.00 H new ATOM 1329 N ALA p 80 -18.355 17.201 -1.745 1.00 0.00 N ATOM 1330 CA ALA p 80 -19.640 16.756 -1.150 1.00 0.00 C ATOM 1331 C ALA p 80 -20.845 17.503 -1.740 1.00 0.00 C ATOM 1332 O ALA p 80 -21.653 16.853 -2.437 1.00 0.00 O ATOM 1333 CB ALA p 80 -19.621 16.875 0.378 1.00 0.00 C ATOM 1334 OXT ALA p 80 -20.964 18.726 -1.508 1.00 0.00 O ATOM 0 H ALA p 80 -17.854 16.451 -2.221 1.00 0.00 H new ATOM 0 HA ALA p 80 -19.754 15.703 -1.408 1.00 0.00 H new ATOM 0 HB1 ALA p 80 -20.577 16.541 0.781 1.00 0.00 H new ATOM 0 HB2 ALA p 80 -18.821 16.255 0.781 1.00 0.00 H new ATOM 0 HB3 ALA p 80 -19.452 17.914 0.660 1.00 0.00 H new TER 1340 ALA p 80