USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 815 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 25 GLN : amide:sc= -1.87 X(o=-1.9,f=-1.8) USER MOD Set 1.2: A 87 THR OG1 : rot 180:sc=0.000854 USER MOD Set 2.1: A 54 GLN : amide:sc= -6.06! K(o=-12!,f=0.43) USER MOD Set 2.2: A 56 ASN : amide:sc= -5.84! K(o=-12!,f=-2.3) USER MOD Set 3.1: A 13 SER OG : rot 160:sc= 0.458 USER MOD Set 3.2: A 17 SER OG : rot 98:sc= -0.399 USER MOD Single : A 1 ARG N :NH3+ -177:sc= -2.54 (180deg=-2.7!) USER MOD Single : A 4 SER OG : rot 180:sc= -2.12 USER MOD Single : A 7 SER OG : rot 60:sc= -0.692 USER MOD Single : A 9 HIS : no HD1:sc= -0.0103 X(o=-0.01,f=-0.12) USER MOD Single : A 11 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.24) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 127:sc= -0.0358 (180deg=-0.444) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.734 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -101:sc= -0.908 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= -0.191 (180deg=-0.191) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 150:sc= -0.194 (180deg=-0.982) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.0268 X(o=-0.027,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.0446 K(o=-0.045,f=-1) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -177:sc= -0.755 (180deg=-0.768) USER MOD Single : A 71 TYR OH : rot 16:sc= -0.0526 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -4.55! C(o=-4.6!,f=-5.3!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 160:sc= -0.112 USER MOD Single : A 89 TYR OH : rot -124:sc= 0.00748 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0276 USER MOD Single : A 93 MET CE :methyl -157:sc= -0.744 (180deg=-2.42!) USER MOD Single : A 96 LYS NZ :NH3+ 160:sc= -0.0104 (180deg=-0.211) USER MOD Single : A 98 ASN : amide:sc= -3.98! C(o=-4!,f=-3.4!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.808 22.059 -8.448 1.00 0.00 N ATOM 2 CA ARG A 1 1.976 20.956 -7.465 1.00 0.00 C ATOM 3 C ARG A 1 3.398 20.413 -7.572 1.00 0.00 C ATOM 4 O ARG A 1 4.142 20.781 -8.479 1.00 0.00 O ATOM 5 CB ARG A 1 0.939 19.844 -7.738 1.00 0.00 C ATOM 6 CG ARG A 1 0.697 19.677 -9.258 1.00 0.00 C ATOM 7 CD ARG A 1 -0.463 20.576 -9.721 1.00 0.00 C ATOM 8 NE ARG A 1 -0.623 20.492 -11.168 1.00 0.00 N ATOM 9 CZ ARG A 1 -1.618 21.118 -11.787 1.00 0.00 C ATOM 10 NH1 ARG A 1 -2.477 21.810 -11.092 1.00 0.00 N ATOM 11 NH2 ARG A 1 -1.738 21.035 -13.084 1.00 0.00 N ATOM 0 H1 ARG A 1 0.858 22.471 -8.349 1.00 0.00 H new ATOM 0 H2 ARG A 1 2.524 22.793 -8.272 1.00 0.00 H new ATOM 0 H3 ARG A 1 1.925 21.686 -9.412 1.00 0.00 H new ATOM 0 HA ARG A 1 1.812 21.328 -6.454 1.00 0.00 H new ATOM 0 HB2 ARG A 1 1.290 18.902 -7.316 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -0.000 20.086 -7.240 1.00 0.00 H new ATOM 0 HG2 ARG A 1 1.604 19.932 -9.807 1.00 0.00 H new ATOM 0 HG3 ARG A 1 0.470 18.635 -9.484 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -1.386 20.272 -9.228 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -0.271 21.608 -9.429 1.00 0.00 H new ATOM 0 HE ARG A 1 0.041 19.943 -11.714 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -2.383 21.869 -10.078 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -3.243 22.293 -11.562 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -1.067 20.489 -13.624 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -2.503 21.516 -13.557 1.00 0.00 H new ATOM 25 N GLU A 2 3.779 19.549 -6.630 1.00 0.00 N ATOM 26 CA GLU A 2 5.125 18.979 -6.629 1.00 0.00 C ATOM 27 C GLU A 2 5.139 17.615 -5.910 1.00 0.00 C ATOM 28 O GLU A 2 4.840 17.558 -4.717 1.00 0.00 O ATOM 29 CB GLU A 2 6.082 19.942 -5.914 1.00 0.00 C ATOM 30 CG GLU A 2 7.531 19.563 -6.240 1.00 0.00 C ATOM 31 CD GLU A 2 8.486 20.605 -5.668 1.00 0.00 C ATOM 32 OE1 GLU A 2 8.064 21.736 -5.491 1.00 0.00 O ATOM 33 OE2 GLU A 2 9.628 20.255 -5.412 1.00 0.00 O ATOM 0 H GLU A 2 3.182 19.232 -5.866 1.00 0.00 H new ATOM 0 HA GLU A 2 5.444 18.832 -7.661 1.00 0.00 H new ATOM 0 HB2 GLU A 2 5.884 20.967 -6.228 1.00 0.00 H new ATOM 0 HB3 GLU A 2 5.918 19.901 -4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.761 18.581 -5.825 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.662 19.492 -7.320 1.00 0.00 H new ATOM 40 N PRO A 3 5.484 16.518 -6.573 1.00 0.00 N ATOM 41 CA PRO A 3 5.534 15.184 -5.946 1.00 0.00 C ATOM 42 C PRO A 3 6.975 14.844 -5.606 1.00 0.00 C ATOM 43 O PRO A 3 7.836 15.722 -5.601 1.00 0.00 O ATOM 44 CB PRO A 3 5.029 14.285 -7.064 1.00 0.00 C ATOM 45 CG PRO A 3 5.622 14.891 -8.305 1.00 0.00 C ATOM 46 CD PRO A 3 5.881 16.382 -7.988 1.00 0.00 C ATOM 0 HA PRO A 3 4.960 15.096 -5.024 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.355 13.254 -6.927 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.940 14.272 -7.106 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.549 14.386 -8.578 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.942 14.787 -9.150 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.928 16.646 -8.136 1.00 0.00 H new ATOM 0 HD3 PRO A 3 5.293 17.036 -8.633 1.00 0.00 H new ATOM 54 N SER A 4 7.250 13.580 -5.344 1.00 0.00 N ATOM 55 CA SER A 4 8.612 13.183 -5.033 1.00 0.00 C ATOM 56 C SER A 4 8.725 11.650 -5.024 1.00 0.00 C ATOM 57 O SER A 4 7.718 10.961 -5.185 1.00 0.00 O ATOM 58 CB SER A 4 9.029 13.794 -3.692 1.00 0.00 C ATOM 59 OG SER A 4 10.383 14.221 -3.768 1.00 0.00 O ATOM 0 H SER A 4 6.565 12.824 -5.340 1.00 0.00 H new ATOM 0 HA SER A 4 9.292 13.556 -5.799 1.00 0.00 H new ATOM 0 HB2 SER A 4 8.383 14.638 -3.448 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.912 13.061 -2.894 1.00 0.00 H new ATOM 0 HG SER A 4 10.651 14.614 -2.911 1.00 0.00 H new ATOM 65 N PRO A 5 9.911 11.100 -4.868 1.00 0.00 N ATOM 66 CA PRO A 5 10.107 9.616 -4.874 1.00 0.00 C ATOM 67 C PRO A 5 9.228 8.895 -3.844 1.00 0.00 C ATOM 68 O PRO A 5 8.755 9.510 -2.889 1.00 0.00 O ATOM 69 CB PRO A 5 11.604 9.442 -4.568 1.00 0.00 C ATOM 70 CG PRO A 5 12.226 10.729 -4.991 1.00 0.00 C ATOM 71 CD PRO A 5 11.192 11.803 -4.669 1.00 0.00 C ATOM 0 HA PRO A 5 9.814 9.172 -5.825 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.772 9.250 -3.508 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.025 8.599 -5.116 1.00 0.00 H new ATOM 0 HG2 PRO A 5 13.159 10.909 -4.457 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.465 10.719 -6.055 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.296 12.171 -3.648 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.286 12.665 -5.329 1.00 0.00 H new ATOM 79 N PRO A 6 8.994 7.610 -4.027 1.00 0.00 N ATOM 80 CA PRO A 6 8.150 6.789 -3.104 1.00 0.00 C ATOM 81 C PRO A 6 8.330 7.103 -1.619 1.00 0.00 C ATOM 82 O PRO A 6 9.153 7.928 -1.227 1.00 0.00 O ATOM 83 CB PRO A 6 8.585 5.360 -3.428 1.00 0.00 C ATOM 84 CG PRO A 6 8.859 5.400 -4.885 1.00 0.00 C ATOM 85 CD PRO A 6 9.496 6.773 -5.146 1.00 0.00 C ATOM 0 HA PRO A 6 7.090 6.987 -3.260 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.471 5.072 -2.861 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.804 4.639 -3.187 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.530 4.594 -5.180 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.941 5.278 -5.460 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.585 6.716 -5.147 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.197 7.176 -6.114 1.00 0.00 H new ATOM 93 N SER A 7 7.515 6.432 -0.808 1.00 0.00 N ATOM 94 CA SER A 7 7.520 6.627 0.638 1.00 0.00 C ATOM 95 C SER A 7 6.727 5.499 1.297 1.00 0.00 C ATOM 96 O SER A 7 5.781 5.731 2.050 1.00 0.00 O ATOM 97 CB SER A 7 6.897 7.999 0.943 1.00 0.00 C ATOM 98 OG SER A 7 7.812 8.772 1.708 1.00 0.00 O ATOM 0 H SER A 7 6.837 5.742 -1.133 1.00 0.00 H new ATOM 0 HA SER A 7 8.535 6.604 1.034 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.655 8.516 0.014 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.963 7.873 1.491 1.00 0.00 H new ATOM 0 HG SER A 7 8.644 8.888 1.203 1.00 0.00 H new ATOM 104 N ILE A 8 7.094 4.264 0.977 1.00 0.00 N ATOM 105 CA ILE A 8 6.384 3.105 1.507 1.00 0.00 C ATOM 106 C ILE A 8 7.361 2.111 2.109 1.00 0.00 C ATOM 107 O ILE A 8 8.316 1.681 1.460 1.00 0.00 O ATOM 108 CB ILE A 8 5.628 2.418 0.367 1.00 0.00 C ATOM 109 CG1 ILE A 8 4.801 3.449 -0.438 1.00 0.00 C ATOM 110 CG2 ILE A 8 4.713 1.328 0.933 1.00 0.00 C ATOM 111 CD1 ILE A 8 3.484 3.796 0.247 1.00 0.00 C ATOM 0 H ILE A 8 7.873 4.039 0.358 1.00 0.00 H new ATOM 0 HA ILE A 8 5.693 3.441 2.280 1.00 0.00 H new ATOM 0 HB ILE A 8 6.352 1.960 -0.307 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.388 4.357 -0.572 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.597 3.051 -1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.178 0.843 0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.313 0.589 1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.996 1.776 1.622 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.940 4.523 -0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.883 2.894 0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.686 4.220 1.231 1.00 0.00 H new ATOM 123 N HIS A 9 7.091 1.724 3.344 1.00 0.00 N ATOM 124 CA HIS A 9 7.916 0.746 4.045 1.00 0.00 C ATOM 125 C HIS A 9 7.064 -0.464 4.391 1.00 0.00 C ATOM 126 O HIS A 9 6.106 -0.347 5.152 1.00 0.00 O ATOM 127 CB HIS A 9 8.466 1.362 5.329 1.00 0.00 C ATOM 128 CG HIS A 9 9.488 2.410 4.987 1.00 0.00 C ATOM 129 ND1 HIS A 9 10.643 2.113 4.283 1.00 0.00 N ATOM 130 CD2 HIS A 9 9.547 3.756 5.251 1.00 0.00 C ATOM 131 CE1 HIS A 9 11.343 3.252 4.147 1.00 0.00 C ATOM 132 NE2 HIS A 9 10.721 4.287 4.718 1.00 0.00 N ATOM 0 H HIS A 9 6.302 2.073 3.888 1.00 0.00 H new ATOM 0 HA HIS A 9 8.747 0.445 3.407 1.00 0.00 H new ATOM 0 HB2 HIS A 9 7.656 1.805 5.908 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.917 0.589 5.951 1.00 0.00 H new ATOM 0 HD2 HIS A 9 8.798 4.318 5.789 1.00 0.00 H new ATOM 0 HE1 HIS A 9 12.293 3.322 3.638 1.00 0.00 H new ATOM 0 HE2 HIS A 9 11.037 5.256 4.756 1.00 0.00 H new ATOM 140 N GLY A 10 7.397 -1.630 3.828 1.00 0.00 N ATOM 141 CA GLY A 10 6.618 -2.838 4.096 1.00 0.00 C ATOM 142 C GLY A 10 7.249 -3.673 5.190 1.00 0.00 C ATOM 143 O GLY A 10 8.470 -3.808 5.272 1.00 0.00 O ATOM 0 H GLY A 10 8.186 -1.760 3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.604 -2.562 4.386 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.538 -3.431 3.185 1.00 0.00 H new ATOM 147 N GLN A 11 6.389 -4.247 6.019 1.00 0.00 N ATOM 148 CA GLN A 11 6.829 -5.100 7.120 1.00 0.00 C ATOM 149 C GLN A 11 5.832 -6.245 7.291 1.00 0.00 C ATOM 150 O GLN A 11 4.628 -6.026 7.163 1.00 0.00 O ATOM 151 CB GLN A 11 6.898 -4.288 8.417 1.00 0.00 C ATOM 152 CG GLN A 11 8.148 -3.403 8.410 1.00 0.00 C ATOM 153 CD GLN A 11 9.389 -4.275 8.577 1.00 0.00 C ATOM 154 OE1 GLN A 11 9.519 -4.990 9.571 1.00 0.00 O ATOM 155 NE2 GLN A 11 10.312 -4.260 7.655 1.00 0.00 N ATOM 0 H GLN A 11 5.377 -4.138 5.951 1.00 0.00 H new ATOM 0 HA GLN A 11 7.819 -5.497 6.897 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.005 -3.671 8.518 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.921 -4.959 9.276 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.206 -2.844 7.476 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.093 -2.671 9.216 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.202 -3.667 6.833 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.144 -4.842 7.757 1.00 0.00 H new ATOM 164 N PRO A 12 6.280 -7.449 7.566 1.00 0.00 N ATOM 165 CA PRO A 12 5.360 -8.605 7.736 1.00 0.00 C ATOM 166 C PRO A 12 4.652 -8.584 9.084 1.00 0.00 C ATOM 167 O PRO A 12 5.150 -9.138 10.065 1.00 0.00 O ATOM 168 CB PRO A 12 6.287 -9.819 7.622 1.00 0.00 C ATOM 169 CG PRO A 12 7.601 -9.331 8.141 1.00 0.00 C ATOM 170 CD PRO A 12 7.691 -7.852 7.746 1.00 0.00 C ATOM 0 HA PRO A 12 4.557 -8.603 6.999 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.915 -10.660 8.208 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.369 -10.161 6.590 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.661 -9.450 9.223 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.425 -9.900 7.711 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.181 -7.260 8.520 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.266 -7.717 6.830 1.00 0.00 H new ATOM 178 N SER A 13 3.483 -7.961 9.122 1.00 0.00 N ATOM 179 CA SER A 13 2.719 -7.910 10.355 1.00 0.00 C ATOM 180 C SER A 13 2.142 -9.293 10.633 1.00 0.00 C ATOM 181 O SER A 13 2.097 -10.142 9.741 1.00 0.00 O ATOM 182 CB SER A 13 1.595 -6.878 10.249 1.00 0.00 C ATOM 183 OG SER A 13 0.582 -7.375 9.389 1.00 0.00 O ATOM 0 H SER A 13 3.050 -7.492 8.326 1.00 0.00 H new ATOM 0 HA SER A 13 3.373 -7.612 11.175 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.181 -6.671 11.236 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.986 -5.936 9.864 1.00 0.00 H new ATOM 0 HG SER A 13 -0.256 -6.896 9.560 1.00 0.00 H new ATOM 189 N SER A 14 1.719 -9.523 11.867 1.00 0.00 N ATOM 190 CA SER A 14 1.168 -10.820 12.252 1.00 0.00 C ATOM 191 C SER A 14 0.307 -11.418 11.136 1.00 0.00 C ATOM 192 O SER A 14 -0.682 -10.826 10.703 1.00 0.00 O ATOM 193 CB SER A 14 0.349 -10.670 13.534 1.00 0.00 C ATOM 194 OG SER A 14 1.188 -10.154 14.557 1.00 0.00 O ATOM 0 H SER A 14 1.745 -8.834 12.618 1.00 0.00 H new ATOM 0 HA SER A 14 1.997 -11.505 12.429 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.495 -10.002 13.366 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.062 -11.634 13.834 1.00 0.00 H new ATOM 0 HG SER A 14 0.671 -10.052 15.384 1.00 0.00 H new ATOM 200 N GLY A 15 0.706 -12.606 10.675 1.00 0.00 N ATOM 201 CA GLY A 15 -0.008 -13.303 9.602 1.00 0.00 C ATOM 202 C GLY A 15 0.560 -12.934 8.233 1.00 0.00 C ATOM 203 O GLY A 15 1.723 -12.545 8.123 1.00 0.00 O ATOM 0 H GLY A 15 1.521 -13.106 11.029 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.066 -14.380 9.752 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.067 -13.048 9.640 1.00 0.00 H new ATOM 207 N LYS A 16 -0.262 -13.069 7.194 1.00 0.00 N ATOM 208 CA LYS A 16 0.169 -12.754 5.833 1.00 0.00 C ATOM 209 C LYS A 16 0.114 -11.248 5.602 1.00 0.00 C ATOM 210 O LYS A 16 0.557 -10.748 4.573 1.00 0.00 O ATOM 211 CB LYS A 16 -0.753 -13.443 4.814 1.00 0.00 C ATOM 212 CG LYS A 16 -1.215 -14.807 5.333 1.00 0.00 C ATOM 213 CD LYS A 16 -2.122 -15.435 4.283 1.00 0.00 C ATOM 214 CE LYS A 16 -2.683 -16.757 4.794 1.00 0.00 C ATOM 215 NZ LYS A 16 -3.599 -16.499 5.942 1.00 0.00 N ATOM 0 H LYS A 16 -1.226 -13.393 7.268 1.00 0.00 H new ATOM 0 HA LYS A 16 1.191 -13.110 5.705 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.619 -12.812 4.616 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.227 -13.568 3.868 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.357 -15.450 5.527 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.748 -14.694 6.277 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.938 -14.754 4.043 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.564 -15.601 3.362 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.219 -17.269 3.995 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.870 -17.413 5.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.517 -16.954 5.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.184 -16.889 6.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.736 -15.474 6.053 1.00 0.00 H new ATOM 229 N SER A 17 -0.463 -10.542 6.557 1.00 0.00 N ATOM 230 CA SER A 17 -0.618 -9.102 6.456 1.00 0.00 C ATOM 231 C SER A 17 0.730 -8.383 6.339 1.00 0.00 C ATOM 232 O SER A 17 1.676 -8.684 7.068 1.00 0.00 O ATOM 233 CB SER A 17 -1.351 -8.613 7.700 1.00 0.00 C ATOM 234 OG SER A 17 -0.760 -9.209 8.848 1.00 0.00 O ATOM 0 H SER A 17 -0.834 -10.946 7.417 1.00 0.00 H new ATOM 0 HA SER A 17 -1.183 -8.876 5.552 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.294 -7.527 7.768 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.408 -8.874 7.642 1.00 0.00 H new ATOM 0 HG SER A 17 -0.127 -8.580 9.254 1.00 0.00 H new ATOM 240 N PHE A 18 0.790 -7.406 5.429 1.00 0.00 N ATOM 241 CA PHE A 18 2.006 -6.607 5.224 1.00 0.00 C ATOM 242 C PHE A 18 1.692 -5.139 5.530 1.00 0.00 C ATOM 243 O PHE A 18 0.864 -4.525 4.856 1.00 0.00 O ATOM 244 CB PHE A 18 2.514 -6.763 3.756 1.00 0.00 C ATOM 245 CG PHE A 18 3.995 -7.102 3.737 1.00 0.00 C ATOM 246 CD1 PHE A 18 4.420 -8.392 4.069 1.00 0.00 C ATOM 247 CD2 PHE A 18 4.935 -6.125 3.389 1.00 0.00 C ATOM 248 CE1 PHE A 18 5.787 -8.699 4.054 1.00 0.00 C ATOM 249 CE2 PHE A 18 6.296 -6.434 3.374 1.00 0.00 C ATOM 250 CZ PHE A 18 6.724 -7.714 3.705 1.00 0.00 C ATOM 0 H PHE A 18 0.012 -7.148 4.822 1.00 0.00 H new ATOM 0 HA PHE A 18 2.793 -6.957 5.893 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.949 -7.547 3.251 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.340 -5.839 3.205 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.697 -9.149 4.336 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.606 -5.129 3.131 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.120 -9.694 4.311 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.018 -5.677 3.105 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.778 -7.951 3.694 1.00 0.00 H new ATOM 260 N LYS A 19 2.357 -4.581 6.541 1.00 0.00 N ATOM 261 CA LYS A 19 2.133 -3.185 6.908 1.00 0.00 C ATOM 262 C LYS A 19 2.952 -2.266 6.022 1.00 0.00 C ATOM 263 O LYS A 19 4.172 -2.211 6.141 1.00 0.00 O ATOM 264 CB LYS A 19 2.538 -2.932 8.366 1.00 0.00 C ATOM 265 CG LYS A 19 2.249 -1.463 8.727 1.00 0.00 C ATOM 266 CD LYS A 19 2.688 -1.182 10.156 1.00 0.00 C ATOM 267 CE LYS A 19 2.379 0.277 10.500 1.00 0.00 C ATOM 268 NZ LYS A 19 2.870 0.572 11.876 1.00 0.00 N ATOM 0 H LYS A 19 3.047 -5.068 7.114 1.00 0.00 H new ATOM 0 HA LYS A 19 1.070 -2.980 6.780 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.985 -3.597 9.030 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.597 -3.151 8.505 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.775 -0.801 8.039 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.185 -1.256 8.617 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.170 -1.848 10.846 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.755 -1.376 10.266 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.857 0.942 9.780 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.306 0.458 10.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.662 1.563 12.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.394 -0.055 12.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.897 0.414 11.919 1.00 0.00 H new ATOM 282 N LEU A 20 2.269 -1.512 5.167 1.00 0.00 N ATOM 283 CA LEU A 20 2.946 -0.558 4.297 1.00 0.00 C ATOM 284 C LEU A 20 2.738 0.844 4.865 1.00 0.00 C ATOM 285 O LEU A 20 1.741 1.501 4.569 1.00 0.00 O ATOM 286 CB LEU A 20 2.383 -0.628 2.870 1.00 0.00 C ATOM 287 CG LEU A 20 2.087 -2.074 2.473 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.379 -2.073 1.125 1.00 0.00 C ATOM 289 CD2 LEU A 20 3.388 -2.852 2.355 1.00 0.00 C ATOM 0 H LEU A 20 1.255 -1.542 5.058 1.00 0.00 H new ATOM 0 HA LEU A 20 4.008 -0.798 4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.471 -0.034 2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.097 -0.193 2.171 1.00 0.00 H new ATOM 0 HG LEU A 20 1.458 -2.542 3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.161 -3.099 0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.448 -1.512 1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.021 -1.607 0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.172 -3.882 2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.019 -2.392 1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.907 -2.841 3.313 1.00 0.00 H new ATOM 301 N SER A 21 3.668 1.280 5.710 1.00 0.00 N ATOM 302 CA SER A 21 3.556 2.586 6.341 1.00 0.00 C ATOM 303 C SER A 21 3.666 3.705 5.313 1.00 0.00 C ATOM 304 O SER A 21 4.653 3.794 4.580 1.00 0.00 O ATOM 305 CB SER A 21 4.655 2.747 7.392 1.00 0.00 C ATOM 306 OG SER A 21 4.607 4.066 7.919 1.00 0.00 O ATOM 0 H SER A 21 4.500 0.751 5.970 1.00 0.00 H new ATOM 0 HA SER A 21 2.577 2.651 6.816 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.520 2.018 8.191 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.631 2.555 6.947 1.00 0.00 H new ATOM 0 HG SER A 21 5.309 4.174 8.595 1.00 0.00 H new ATOM 312 N ILE A 22 2.651 4.573 5.263 1.00 0.00 N ATOM 313 CA ILE A 22 2.667 5.688 4.328 1.00 0.00 C ATOM 314 C ILE A 22 3.412 6.853 4.980 1.00 0.00 C ATOM 315 O ILE A 22 2.932 7.429 5.955 1.00 0.00 O ATOM 316 CB ILE A 22 1.226 6.136 3.988 1.00 0.00 C ATOM 317 CG1 ILE A 22 0.229 4.962 4.058 1.00 0.00 C ATOM 318 CG2 ILE A 22 1.204 6.720 2.578 1.00 0.00 C ATOM 319 CD1 ILE A 22 0.540 3.893 3.008 1.00 0.00 C ATOM 0 H ILE A 22 1.821 4.522 5.853 1.00 0.00 H new ATOM 0 HA ILE A 22 3.161 5.378 3.407 1.00 0.00 H new ATOM 0 HB ILE A 22 0.924 6.882 4.723 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.261 4.516 5.052 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.784 5.335 3.908 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.191 7.038 2.332 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.875 7.577 2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.530 5.962 1.865 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.184 3.082 3.089 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.482 4.333 2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.544 3.501 3.174 1.00 0.00 H new ATOM 331 N THR A 23 4.580 7.200 4.447 1.00 0.00 N ATOM 332 CA THR A 23 5.354 8.298 5.018 1.00 0.00 C ATOM 333 C THR A 23 4.816 9.632 4.512 1.00 0.00 C ATOM 334 O THR A 23 4.399 9.743 3.364 1.00 0.00 O ATOM 335 CB THR A 23 6.832 8.120 4.654 1.00 0.00 C ATOM 336 OG1 THR A 23 7.379 7.079 5.453 1.00 0.00 O ATOM 337 CG2 THR A 23 7.617 9.412 4.906 1.00 0.00 C ATOM 0 H THR A 23 5.005 6.748 3.637 1.00 0.00 H new ATOM 0 HA THR A 23 5.262 8.291 6.104 1.00 0.00 H new ATOM 0 HB THR A 23 6.906 7.871 3.595 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.325 6.955 5.227 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.663 9.260 4.640 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.201 10.215 4.298 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.546 9.681 5.960 1.00 0.00 H new ATOM 345 N LYS A 24 4.825 10.634 5.382 1.00 0.00 N ATOM 346 CA LYS A 24 4.340 11.963 5.029 1.00 0.00 C ATOM 347 C LYS A 24 5.254 12.576 3.980 1.00 0.00 C ATOM 348 O LYS A 24 6.379 12.980 4.269 1.00 0.00 O ATOM 349 CB LYS A 24 4.315 12.824 6.297 1.00 0.00 C ATOM 350 CG LYS A 24 3.176 12.335 7.231 1.00 0.00 C ATOM 351 CD LYS A 24 3.625 12.369 8.703 1.00 0.00 C ATOM 352 CE LYS A 24 4.486 11.136 9.021 1.00 0.00 C ATOM 353 NZ LYS A 24 4.691 11.040 10.494 1.00 0.00 N ATOM 0 H LYS A 24 5.164 10.551 6.340 1.00 0.00 H new ATOM 0 HA LYS A 24 3.334 11.904 4.613 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.274 12.761 6.811 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.162 13.871 6.036 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.296 12.965 7.100 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.886 11.321 6.958 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.193 13.279 8.897 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.753 12.392 9.357 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.999 10.234 8.651 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.448 11.210 8.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.274 10.206 10.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.173 11.896 10.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.769 10.951 10.968 1.00 0.00 H new ATOM 367 N GLN A 25 4.758 12.606 2.754 1.00 0.00 N ATOM 368 CA GLN A 25 5.513 13.129 1.622 1.00 0.00 C ATOM 369 C GLN A 25 5.311 14.633 1.453 1.00 0.00 C ATOM 370 O GLN A 25 4.520 15.261 2.159 1.00 0.00 O ATOM 371 CB GLN A 25 5.074 12.414 0.347 1.00 0.00 C ATOM 372 CG GLN A 25 5.460 10.934 0.413 1.00 0.00 C ATOM 373 CD GLN A 25 4.802 10.174 -0.732 1.00 0.00 C ATOM 374 OE1 GLN A 25 3.599 9.914 -0.688 1.00 0.00 O ATOM 375 NE2 GLN A 25 5.513 9.820 -1.768 1.00 0.00 N ATOM 0 H GLN A 25 3.825 12.271 2.514 1.00 0.00 H new ATOM 0 HA GLN A 25 6.571 12.951 1.813 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.996 12.511 0.219 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.541 12.881 -0.520 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.543 10.829 0.355 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.149 10.511 1.368 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.509 10.037 -1.801 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.072 9.326 -2.544 1.00 0.00 H new ATOM 384 N ASP A 26 6.055 15.193 0.511 1.00 0.00 N ATOM 385 CA ASP A 26 6.003 16.622 0.219 1.00 0.00 C ATOM 386 C ASP A 26 4.613 17.037 -0.270 1.00 0.00 C ATOM 387 O ASP A 26 4.368 18.218 -0.520 1.00 0.00 O ATOM 388 CB ASP A 26 7.029 16.953 -0.863 1.00 0.00 C ATOM 389 CG ASP A 26 8.444 16.809 -0.311 1.00 0.00 C ATOM 390 OD1 ASP A 26 8.582 16.720 0.898 1.00 0.00 O ATOM 391 OD2 ASP A 26 9.367 16.775 -1.107 1.00 0.00 O ATOM 0 H ASP A 26 6.711 14.673 -0.072 1.00 0.00 H new ATOM 0 HA ASP A 26 6.225 17.167 1.137 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.895 16.289 -1.717 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.873 17.970 -1.223 1.00 0.00 H new ATOM 396 N ASP A 27 3.717 16.064 -0.431 1.00 0.00 N ATOM 397 CA ASP A 27 2.366 16.347 -0.917 1.00 0.00 C ATOM 398 C ASP A 27 2.422 17.276 -2.126 1.00 0.00 C ATOM 399 O ASP A 27 3.499 17.544 -2.658 1.00 0.00 O ATOM 400 CB ASP A 27 1.498 16.961 0.196 1.00 0.00 C ATOM 401 CG ASP A 27 2.030 18.331 0.606 1.00 0.00 C ATOM 402 OD1 ASP A 27 2.115 19.198 -0.250 1.00 0.00 O ATOM 403 OD2 ASP A 27 2.335 18.494 1.775 1.00 0.00 O ATOM 0 H ASP A 27 3.899 15.080 -0.234 1.00 0.00 H new ATOM 0 HA ASP A 27 1.908 15.406 -1.221 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.468 17.054 -0.150 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.485 16.298 1.061 1.00 0.00 H new ATOM 408 N GLY A 28 1.258 17.737 -2.583 1.00 0.00 N ATOM 409 CA GLY A 28 1.195 18.609 -3.759 1.00 0.00 C ATOM 410 C GLY A 28 1.193 20.082 -3.378 1.00 0.00 C ATOM 411 O GLY A 28 1.322 20.949 -4.241 1.00 0.00 O ATOM 0 H GLY A 28 0.353 17.525 -2.163 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.046 18.404 -4.408 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.296 18.381 -4.331 1.00 0.00 H new ATOM 415 N GLY A 29 1.044 20.371 -2.089 1.00 0.00 N ATOM 416 CA GLY A 29 1.024 21.756 -1.617 1.00 0.00 C ATOM 417 C GLY A 29 -0.200 22.002 -0.746 1.00 0.00 C ATOM 418 O GLY A 29 -0.428 23.116 -0.275 1.00 0.00 O ATOM 0 H GLY A 29 0.936 19.671 -1.355 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.930 21.967 -1.049 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.015 22.437 -2.468 1.00 0.00 H new ATOM 422 N ALA A 30 -0.975 20.941 -0.526 1.00 0.00 N ATOM 423 CA ALA A 30 -2.174 21.012 0.306 1.00 0.00 C ATOM 424 C ALA A 30 -2.237 19.752 1.172 1.00 0.00 C ATOM 425 O ALA A 30 -1.870 18.672 0.708 1.00 0.00 O ATOM 426 CB ALA A 30 -3.421 21.097 -0.578 1.00 0.00 C ATOM 0 H ALA A 30 -0.792 20.016 -0.916 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.136 21.900 0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.310 21.150 0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.365 21.989 -1.202 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.478 20.213 -1.213 1.00 0.00 H new ATOM 432 N PRO A 31 -2.669 19.845 2.406 1.00 0.00 N ATOM 433 CA PRO A 31 -2.730 18.654 3.296 1.00 0.00 C ATOM 434 C PRO A 31 -3.715 17.608 2.773 1.00 0.00 C ATOM 435 O PRO A 31 -4.766 17.940 2.223 1.00 0.00 O ATOM 436 CB PRO A 31 -3.162 19.222 4.663 1.00 0.00 C ATOM 437 CG PRO A 31 -3.809 20.541 4.356 1.00 0.00 C ATOM 438 CD PRO A 31 -3.145 21.063 3.080 1.00 0.00 C ATOM 0 HA PRO A 31 -1.776 18.130 3.354 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -3.857 18.550 5.166 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.305 19.348 5.325 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.883 20.423 4.214 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.672 21.242 5.180 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.851 21.614 2.459 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.323 21.742 3.306 1.00 0.00 H new ATOM 446 N ILE A 32 -3.356 16.341 2.934 1.00 0.00 N ATOM 447 CA ILE A 32 -4.188 15.237 2.467 1.00 0.00 C ATOM 448 C ILE A 32 -5.201 14.822 3.522 1.00 0.00 C ATOM 449 O ILE A 32 -4.869 14.684 4.699 1.00 0.00 O ATOM 450 CB ILE A 32 -3.293 14.049 2.124 1.00 0.00 C ATOM 451 CG1 ILE A 32 -2.338 14.441 0.957 1.00 0.00 C ATOM 452 CG2 ILE A 32 -4.173 12.853 1.724 1.00 0.00 C ATOM 453 CD1 ILE A 32 -0.880 14.216 1.361 1.00 0.00 C ATOM 0 H ILE A 32 -2.490 16.050 3.387 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.736 15.566 1.584 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.691 13.771 2.989 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.572 13.849 0.073 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.491 15.487 0.690 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.539 12.001 1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.828 12.590 2.554 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.776 13.119 0.856 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.226 14.495 0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.645 14.828 2.232 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.728 13.165 1.605 1.00 0.00 H new ATOM 465 N LEU A 33 -6.441 14.629 3.082 1.00 0.00 N ATOM 466 CA LEU A 33 -7.520 14.231 3.979 1.00 0.00 C ATOM 467 C LEU A 33 -7.637 12.707 4.021 1.00 0.00 C ATOM 468 O LEU A 33 -7.833 12.120 5.084 1.00 0.00 O ATOM 469 CB LEU A 33 -8.848 14.838 3.492 1.00 0.00 C ATOM 470 CG LEU A 33 -8.951 16.328 3.888 1.00 0.00 C ATOM 471 CD1 LEU A 33 -9.273 16.476 5.387 1.00 0.00 C ATOM 472 CD2 LEU A 33 -7.635 17.050 3.567 1.00 0.00 C ATOM 0 H LEU A 33 -6.723 14.742 2.108 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.299 14.596 4.982 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.922 14.739 2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.684 14.285 3.920 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.760 16.778 3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.341 17.534 5.642 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.223 15.989 5.605 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.483 16.010 5.977 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.717 18.099 3.850 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.821 16.587 4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.431 16.977 2.499 1.00 0.00 H new ATOM 484 N GLU A 34 -7.525 12.071 2.850 1.00 0.00 N ATOM 485 CA GLU A 34 -7.626 10.613 2.758 1.00 0.00 C ATOM 486 C GLU A 34 -6.643 10.071 1.714 1.00 0.00 C ATOM 487 O GLU A 34 -6.316 10.748 0.740 1.00 0.00 O ATOM 488 CB GLU A 34 -9.068 10.213 2.351 1.00 0.00 C ATOM 489 CG GLU A 34 -9.878 9.722 3.556 1.00 0.00 C ATOM 490 CD GLU A 34 -10.194 10.884 4.491 1.00 0.00 C ATOM 491 OE1 GLU A 34 -10.184 12.013 4.027 1.00 0.00 O ATOM 492 OE2 GLU A 34 -10.461 10.627 5.653 1.00 0.00 O ATOM 0 H GLU A 34 -7.365 12.541 1.959 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.383 10.188 3.732 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.570 11.068 1.899 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.029 9.430 1.594 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.804 9.258 3.216 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.317 8.957 4.093 1.00 0.00 H new ATOM 499 N TYR A 35 -6.218 8.826 1.918 1.00 0.00 N ATOM 500 CA TYR A 35 -5.310 8.155 0.989 1.00 0.00 C ATOM 501 C TYR A 35 -6.058 7.055 0.248 1.00 0.00 C ATOM 502 O TYR A 35 -6.654 6.173 0.864 1.00 0.00 O ATOM 503 CB TYR A 35 -4.143 7.529 1.765 1.00 0.00 C ATOM 504 CG TYR A 35 -3.071 8.562 2.045 1.00 0.00 C ATOM 505 CD1 TYR A 35 -3.370 9.697 2.794 1.00 0.00 C ATOM 506 CD2 TYR A 35 -1.772 8.371 1.560 1.00 0.00 C ATOM 507 CE1 TYR A 35 -2.372 10.644 3.065 1.00 0.00 C ATOM 508 CE2 TYR A 35 -0.774 9.310 1.830 1.00 0.00 C ATOM 509 CZ TYR A 35 -1.070 10.448 2.583 1.00 0.00 C ATOM 510 OH TYR A 35 -0.081 11.369 2.855 1.00 0.00 O ATOM 0 H TYR A 35 -6.489 8.259 2.722 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.927 8.886 0.277 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.507 7.111 2.704 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.719 6.704 1.192 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.372 9.848 3.167 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.540 7.494 0.974 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.606 11.524 3.645 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.227 9.156 1.456 1.00 0.00 H new ATOM 0 HH TYR A 35 0.760 11.076 2.446 1.00 0.00 H new ATOM 520 N ILE A 36 -6.000 7.098 -1.074 1.00 0.00 N ATOM 521 CA ILE A 36 -6.648 6.083 -1.893 1.00 0.00 C ATOM 522 C ILE A 36 -5.609 5.061 -2.315 1.00 0.00 C ATOM 523 O ILE A 36 -4.711 5.362 -3.102 1.00 0.00 O ATOM 524 CB ILE A 36 -7.269 6.742 -3.119 1.00 0.00 C ATOM 525 CG1 ILE A 36 -8.290 7.774 -2.647 1.00 0.00 C ATOM 526 CG2 ILE A 36 -7.961 5.682 -3.979 1.00 0.00 C ATOM 527 CD1 ILE A 36 -8.796 8.579 -3.842 1.00 0.00 C ATOM 0 H ILE A 36 -5.513 7.822 -1.602 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.435 5.586 -1.326 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.497 7.228 -3.716 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.124 7.276 -2.152 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.836 8.440 -1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.404 6.156 -4.855 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.230 4.939 -4.299 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.742 5.194 -3.396 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.525 9.315 -3.503 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.959 9.090 -4.317 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.266 7.907 -4.560 1.00 0.00 H new ATOM 539 N VAL A 37 -5.717 3.854 -1.772 1.00 0.00 N ATOM 540 CA VAL A 37 -4.770 2.792 -2.076 1.00 0.00 C ATOM 541 C VAL A 37 -5.434 1.757 -2.960 1.00 0.00 C ATOM 542 O VAL A 37 -6.474 1.201 -2.603 1.00 0.00 O ATOM 543 CB VAL A 37 -4.322 2.119 -0.770 1.00 0.00 C ATOM 544 CG1 VAL A 37 -3.488 0.869 -1.095 1.00 0.00 C ATOM 545 CG2 VAL A 37 -3.496 3.110 0.098 1.00 0.00 C ATOM 0 H VAL A 37 -6.453 3.588 -1.118 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.907 3.216 -2.590 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.204 1.823 -0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.171 0.392 -0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.091 0.170 -1.675 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.610 1.157 -1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.187 2.616 1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.613 3.430 -0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.108 3.979 0.340 1.00 0.00 H new ATOM 555 N LYS A 38 -4.823 1.482 -4.105 1.00 0.00 N ATOM 556 CA LYS A 38 -5.355 0.488 -5.026 1.00 0.00 C ATOM 557 C LYS A 38 -4.280 -0.543 -5.323 1.00 0.00 C ATOM 558 O LYS A 38 -3.196 -0.200 -5.787 1.00 0.00 O ATOM 559 CB LYS A 38 -5.812 1.151 -6.328 1.00 0.00 C ATOM 560 CG LYS A 38 -6.997 2.076 -6.045 1.00 0.00 C ATOM 561 CD LYS A 38 -7.480 2.702 -7.359 1.00 0.00 C ATOM 562 CE LYS A 38 -8.235 1.666 -8.202 1.00 0.00 C ATOM 563 NZ LYS A 38 -9.161 2.369 -9.135 1.00 0.00 N ATOM 0 H LYS A 38 -3.962 1.932 -4.417 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.216 0.002 -4.567 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.991 1.719 -6.766 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.097 0.390 -7.055 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.806 1.515 -5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.703 2.857 -5.344 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.130 3.551 -7.147 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.628 3.086 -7.921 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.530 1.054 -8.764 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.796 0.992 -7.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.674 1.669 -9.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.841 2.935 -8.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.614 2.995 -9.761 1.00 0.00 H new ATOM 577 N TYR A 39 -4.573 -1.809 -5.025 1.00 0.00 N ATOM 578 CA TYR A 39 -3.605 -2.887 -5.236 1.00 0.00 C ATOM 579 C TYR A 39 -4.205 -4.012 -6.077 1.00 0.00 C ATOM 580 O TYR A 39 -5.421 -4.204 -6.098 1.00 0.00 O ATOM 581 CB TYR A 39 -3.164 -3.451 -3.884 1.00 0.00 C ATOM 582 CG TYR A 39 -4.341 -4.067 -3.160 1.00 0.00 C ATOM 583 CD1 TYR A 39 -5.290 -3.250 -2.536 1.00 0.00 C ATOM 584 CD2 TYR A 39 -4.472 -5.463 -3.103 1.00 0.00 C ATOM 585 CE1 TYR A 39 -6.370 -3.825 -1.857 1.00 0.00 C ATOM 586 CE2 TYR A 39 -5.551 -6.039 -2.423 1.00 0.00 C ATOM 587 CZ TYR A 39 -6.500 -5.219 -1.800 1.00 0.00 C ATOM 588 OH TYR A 39 -7.565 -5.784 -1.128 1.00 0.00 O ATOM 0 H TYR A 39 -5.467 -2.113 -4.639 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.749 -2.474 -5.770 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.387 -4.201 -4.032 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.730 -2.657 -3.276 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -5.189 -2.176 -2.578 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.739 -6.094 -3.584 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -7.103 -3.194 -1.377 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.652 -7.113 -2.379 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.507 -6.761 -1.185 1.00 0.00 H new ATOM 598 N ARG A 40 -3.333 -4.760 -6.765 1.00 0.00 N ATOM 599 CA ARG A 40 -3.764 -5.880 -7.604 1.00 0.00 C ATOM 600 C ARG A 40 -2.730 -7.004 -7.601 1.00 0.00 C ATOM 601 O ARG A 40 -1.611 -6.833 -7.131 1.00 0.00 O ATOM 602 CB ARG A 40 -4.011 -5.431 -9.046 1.00 0.00 C ATOM 603 CG ARG A 40 -2.719 -4.864 -9.680 1.00 0.00 C ATOM 604 CD ARG A 40 -2.755 -5.091 -11.194 1.00 0.00 C ATOM 605 NE ARG A 40 -1.595 -4.485 -11.835 1.00 0.00 N ATOM 606 CZ ARG A 40 -0.442 -5.136 -11.946 1.00 0.00 C ATOM 607 NH1 ARG A 40 -0.315 -6.337 -11.454 1.00 0.00 N ATOM 608 NH2 ARG A 40 0.569 -4.568 -12.549 1.00 0.00 N ATOM 0 H ARG A 40 -2.324 -4.608 -6.756 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.697 -6.251 -7.181 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.370 -6.274 -9.636 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.793 -4.672 -9.065 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.631 -3.800 -9.463 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.845 -5.351 -9.249 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.776 -6.160 -11.406 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.669 -4.666 -11.609 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.670 -3.538 -12.207 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.103 -6.781 -10.982 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.572 -6.833 -11.542 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.471 -3.628 -12.933 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.456 -5.065 -12.636 1.00 0.00 H new ATOM 622 N SER A 41 -3.118 -8.147 -8.150 1.00 0.00 N ATOM 623 CA SER A 41 -2.224 -9.300 -8.225 1.00 0.00 C ATOM 624 C SER A 41 -1.242 -9.150 -9.387 1.00 0.00 C ATOM 625 O SER A 41 -1.605 -8.676 -10.463 1.00 0.00 O ATOM 626 CB SER A 41 -3.047 -10.571 -8.403 1.00 0.00 C ATOM 627 OG SER A 41 -4.043 -10.335 -9.386 1.00 0.00 O ATOM 0 H SER A 41 -4.043 -8.303 -8.550 1.00 0.00 H new ATOM 0 HA SER A 41 -1.652 -9.360 -7.299 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.405 -11.397 -8.707 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.509 -10.857 -7.458 1.00 0.00 H new ATOM 0 HG SER A 41 -4.903 -10.168 -8.947 1.00 0.00 H new ATOM 633 N LYS A 42 0.001 -9.568 -9.159 1.00 0.00 N ATOM 634 CA LYS A 42 1.030 -9.486 -10.192 1.00 0.00 C ATOM 635 C LYS A 42 0.720 -10.407 -11.372 1.00 0.00 C ATOM 636 O LYS A 42 1.078 -10.107 -12.509 1.00 0.00 O ATOM 637 CB LYS A 42 2.410 -9.828 -9.601 1.00 0.00 C ATOM 638 CG LYS A 42 2.909 -8.652 -8.763 1.00 0.00 C ATOM 639 CD LYS A 42 4.356 -8.883 -8.323 1.00 0.00 C ATOM 640 CE LYS A 42 4.820 -7.672 -7.514 1.00 0.00 C ATOM 641 NZ LYS A 42 6.239 -7.859 -7.099 1.00 0.00 N ATOM 0 H LYS A 42 0.318 -9.964 -8.274 1.00 0.00 H new ATOM 0 HA LYS A 42 1.043 -8.461 -10.563 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.342 -10.725 -8.985 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.117 -10.044 -10.402 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.841 -7.731 -9.342 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.272 -8.526 -7.887 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.428 -9.789 -7.722 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.998 -9.025 -9.193 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.722 -6.765 -8.110 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.188 -7.546 -6.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.551 -7.034 -6.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.320 -8.715 -6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.837 -7.959 -7.944 1.00 0.00 H new ATOM 655 N ASP A 43 0.083 -11.539 -11.106 1.00 0.00 N ATOM 656 CA ASP A 43 -0.219 -12.480 -12.180 1.00 0.00 C ATOM 657 C ASP A 43 -1.318 -11.955 -13.096 1.00 0.00 C ATOM 658 O ASP A 43 -1.622 -12.574 -14.116 1.00 0.00 O ATOM 659 CB ASP A 43 -0.641 -13.837 -11.624 1.00 0.00 C ATOM 660 CG ASP A 43 0.536 -14.487 -10.904 1.00 0.00 C ATOM 661 OD1 ASP A 43 1.614 -13.917 -10.949 1.00 0.00 O ATOM 662 OD2 ASP A 43 0.352 -15.555 -10.343 1.00 0.00 O ATOM 0 H ASP A 43 -0.229 -11.826 -10.178 1.00 0.00 H new ATOM 0 HA ASP A 43 0.698 -12.596 -12.759 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.478 -13.715 -10.936 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.985 -14.481 -12.433 1.00 0.00 H new ATOM 667 N LYS A 44 -1.926 -10.826 -12.729 1.00 0.00 N ATOM 668 CA LYS A 44 -3.003 -10.247 -13.525 1.00 0.00 C ATOM 669 C LYS A 44 -2.868 -8.727 -13.583 1.00 0.00 C ATOM 670 O LYS A 44 -2.008 -8.138 -12.930 1.00 0.00 O ATOM 671 CB LYS A 44 -4.347 -10.624 -12.898 1.00 0.00 C ATOM 672 CG LYS A 44 -4.591 -12.130 -13.077 1.00 0.00 C ATOM 673 CD LYS A 44 -5.819 -12.568 -12.273 1.00 0.00 C ATOM 674 CE LYS A 44 -5.535 -12.444 -10.768 1.00 0.00 C ATOM 675 NZ LYS A 44 -6.367 -13.433 -10.025 1.00 0.00 N ATOM 0 H LYS A 44 -1.690 -10.298 -11.889 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.946 -10.637 -14.541 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.351 -10.367 -11.839 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.151 -10.056 -13.366 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.738 -12.359 -14.133 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.715 -12.689 -12.749 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.678 -11.952 -12.541 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.076 -13.598 -12.519 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.478 -12.620 -10.570 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.759 -11.434 -10.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.176 -13.351 -9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.374 -13.245 -10.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.132 -14.394 -10.345 1.00 0.00 H new ATOM 689 N GLU A 45 -3.725 -8.103 -14.374 1.00 0.00 N ATOM 690 CA GLU A 45 -3.701 -6.649 -14.527 1.00 0.00 C ATOM 691 C GLU A 45 -4.986 -6.146 -15.181 1.00 0.00 C ATOM 692 O GLU A 45 -5.000 -5.103 -15.835 1.00 0.00 O ATOM 693 CB GLU A 45 -2.490 -6.237 -15.367 1.00 0.00 C ATOM 694 CG GLU A 45 -2.519 -6.979 -16.706 1.00 0.00 C ATOM 695 CD GLU A 45 -1.318 -6.573 -17.550 1.00 0.00 C ATOM 696 OE1 GLU A 45 -1.344 -5.486 -18.104 1.00 0.00 O ATOM 697 OE2 GLU A 45 -0.385 -7.356 -17.630 1.00 0.00 O ATOM 0 H GLU A 45 -4.446 -8.574 -14.921 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.625 -6.200 -13.537 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.501 -5.160 -15.536 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.568 -6.466 -14.832 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.507 -8.056 -16.535 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.442 -6.751 -17.238 1.00 0.00 H new ATOM 704 N ASP A 46 -6.071 -6.896 -14.988 1.00 0.00 N ATOM 705 CA ASP A 46 -7.376 -6.527 -15.545 1.00 0.00 C ATOM 706 C ASP A 46 -8.316 -6.027 -14.446 1.00 0.00 C ATOM 707 O ASP A 46 -9.445 -5.622 -14.724 1.00 0.00 O ATOM 708 CB ASP A 46 -7.993 -7.736 -16.250 1.00 0.00 C ATOM 709 CG ASP A 46 -7.143 -8.117 -17.455 1.00 0.00 C ATOM 710 OD1 ASP A 46 -6.636 -7.217 -18.106 1.00 0.00 O ATOM 711 OD2 ASP A 46 -7.019 -9.302 -17.721 1.00 0.00 O ATOM 0 H ASP A 46 -6.074 -7.763 -14.451 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.232 -5.720 -16.264 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.060 -8.577 -15.559 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.009 -7.504 -16.569 1.00 0.00 H new ATOM 716 N GLN A 47 -7.853 -6.057 -13.196 1.00 0.00 N ATOM 717 CA GLN A 47 -8.674 -5.606 -12.066 1.00 0.00 C ATOM 718 C GLN A 47 -7.820 -4.917 -11.002 1.00 0.00 C ATOM 719 O GLN A 47 -6.673 -5.300 -10.770 1.00 0.00 O ATOM 720 CB GLN A 47 -9.392 -6.809 -11.444 1.00 0.00 C ATOM 721 CG GLN A 47 -8.362 -7.883 -11.085 1.00 0.00 C ATOM 722 CD GLN A 47 -9.068 -9.160 -10.645 1.00 0.00 C ATOM 723 OE1 GLN A 47 -10.045 -9.575 -11.269 1.00 0.00 O ATOM 724 NE2 GLN A 47 -8.627 -9.823 -9.611 1.00 0.00 N ATOM 0 H GLN A 47 -6.922 -6.385 -12.939 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.403 -4.886 -12.439 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.938 -6.500 -10.553 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.125 -7.211 -12.143 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.725 -8.089 -11.945 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.713 -7.523 -10.286 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.818 -9.481 -9.093 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.092 -10.684 -9.321 1.00 0.00 H new ATOM 733 N TRP A 48 -8.399 -3.900 -10.352 1.00 0.00 N ATOM 734 CA TRP A 48 -7.704 -3.153 -9.296 1.00 0.00 C ATOM 735 C TRP A 48 -8.618 -2.972 -8.086 1.00 0.00 C ATOM 736 O TRP A 48 -9.664 -2.329 -8.172 1.00 0.00 O ATOM 737 CB TRP A 48 -7.260 -1.777 -9.818 1.00 0.00 C ATOM 738 CG TRP A 48 -5.989 -1.894 -10.605 1.00 0.00 C ATOM 739 CD1 TRP A 48 -5.902 -2.220 -11.918 1.00 0.00 C ATOM 740 CD2 TRP A 48 -4.623 -1.674 -10.153 1.00 0.00 C ATOM 741 NE1 TRP A 48 -4.569 -2.209 -12.294 1.00 0.00 N ATOM 742 CE2 TRP A 48 -3.742 -1.876 -11.239 1.00 0.00 C ATOM 743 CE3 TRP A 48 -4.070 -1.315 -8.912 1.00 0.00 C ATOM 744 CZ2 TRP A 48 -2.358 -1.729 -11.097 1.00 0.00 C ATOM 745 CZ3 TRP A 48 -2.681 -1.168 -8.765 1.00 0.00 C ATOM 746 CH2 TRP A 48 -1.828 -1.375 -9.855 1.00 0.00 C ATOM 0 H TRP A 48 -9.348 -3.575 -10.539 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.823 -3.721 -8.996 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -8.043 -1.350 -10.444 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -7.114 -1.095 -8.981 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.736 -2.451 -12.565 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.238 -2.421 -13.235 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.719 -1.151 -8.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.704 -1.888 -11.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.269 -0.894 -7.805 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.761 -1.261 -9.735 1.00 0.00 H new ATOM 757 N LEU A 49 -8.200 -3.531 -6.953 1.00 0.00 N ATOM 758 CA LEU A 49 -8.968 -3.419 -5.715 1.00 0.00 C ATOM 759 C LEU A 49 -8.730 -2.048 -5.082 1.00 0.00 C ATOM 760 O LEU A 49 -7.766 -1.376 -5.427 1.00 0.00 O ATOM 761 CB LEU A 49 -8.555 -4.527 -4.743 1.00 0.00 C ATOM 762 CG LEU A 49 -8.733 -5.898 -5.407 1.00 0.00 C ATOM 763 CD1 LEU A 49 -8.281 -6.998 -4.441 1.00 0.00 C ATOM 764 CD2 LEU A 49 -10.209 -6.123 -5.784 1.00 0.00 C ATOM 0 H LEU A 49 -7.335 -4.065 -6.866 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.029 -3.526 -5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.516 -4.391 -4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.158 -4.471 -3.837 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.127 -5.931 -6.313 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.408 -7.972 -4.914 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.231 -6.851 -4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.882 -6.954 -3.533 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.320 -7.100 -6.254 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.825 -6.081 -4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.529 -5.347 -6.480 1.00 0.00 H new ATOM 776 N GLU A 50 -9.631 -1.620 -4.192 1.00 0.00 N ATOM 777 CA GLU A 50 -9.519 -0.298 -3.543 1.00 0.00 C ATOM 778 C GLU A 50 -9.369 -0.406 -2.028 1.00 0.00 C ATOM 779 O GLU A 50 -9.790 -1.388 -1.414 1.00 0.00 O ATOM 780 CB GLU A 50 -10.762 0.536 -3.877 1.00 0.00 C ATOM 781 CG GLU A 50 -12.019 -0.249 -3.495 1.00 0.00 C ATOM 782 CD GLU A 50 -13.259 0.450 -4.038 1.00 0.00 C ATOM 783 OE1 GLU A 50 -13.439 0.439 -5.244 1.00 0.00 O ATOM 784 OE2 GLU A 50 -14.013 0.984 -3.241 1.00 0.00 O ATOM 0 H GLU A 50 -10.444 -2.163 -3.902 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.619 0.184 -3.926 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.734 1.483 -3.338 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.778 0.775 -4.940 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -11.959 -1.262 -3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -12.087 -0.336 -2.411 1.00 0.00 H new ATOM 791 N LYS A 51 -8.759 0.629 -1.439 1.00 0.00 N ATOM 792 CA LYS A 51 -8.535 0.684 0.004 1.00 0.00 C ATOM 793 C LYS A 51 -8.319 2.144 0.412 1.00 0.00 C ATOM 794 O LYS A 51 -7.372 2.782 -0.028 1.00 0.00 O ATOM 795 CB LYS A 51 -7.321 -0.213 0.336 1.00 0.00 C ATOM 796 CG LYS A 51 -6.732 0.048 1.760 1.00 0.00 C ATOM 797 CD LYS A 51 -7.199 -1.011 2.782 1.00 0.00 C ATOM 798 CE LYS A 51 -8.607 -0.686 3.284 1.00 0.00 C ATOM 799 NZ LYS A 51 -8.944 -1.584 4.425 1.00 0.00 N ATOM 0 H LYS A 51 -8.411 1.443 -1.946 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.392 0.312 0.565 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.619 -1.259 0.259 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.542 -0.048 -0.408 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.643 0.046 1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.033 1.039 2.101 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.190 -1.999 2.321 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.506 -1.045 3.622 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.662 0.356 3.598 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.331 -0.815 2.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.901 -1.365 4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.907 -2.574 4.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.259 -1.440 5.194 1.00 0.00 H new ATOM 813 N LYS A 52 -9.222 2.676 1.237 1.00 0.00 N ATOM 814 CA LYS A 52 -9.138 4.077 1.669 1.00 0.00 C ATOM 815 C LYS A 52 -8.524 4.193 3.062 1.00 0.00 C ATOM 816 O LYS A 52 -8.731 3.333 3.918 1.00 0.00 O ATOM 817 CB LYS A 52 -10.549 4.680 1.694 1.00 0.00 C ATOM 818 CG LYS A 52 -11.237 4.478 0.334 1.00 0.00 C ATOM 819 CD LYS A 52 -10.592 5.374 -0.727 1.00 0.00 C ATOM 820 CE LYS A 52 -11.499 5.453 -1.958 1.00 0.00 C ATOM 821 NZ LYS A 52 -12.792 6.096 -1.589 1.00 0.00 N ATOM 0 H LYS A 52 -10.017 2.164 1.619 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.502 4.614 0.966 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.139 4.211 2.481 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.494 5.743 1.928 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.161 3.433 0.032 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.299 4.709 0.418 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.426 6.372 -0.321 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.616 4.977 -1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.009 6.025 -2.746 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.679 4.453 -2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.176 6.601 -2.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.468 5.367 -1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.635 6.770 -0.813 1.00 0.00 H new ATOM 835 N VAL A 53 -7.765 5.271 3.284 1.00 0.00 N ATOM 836 CA VAL A 53 -7.123 5.508 4.582 1.00 0.00 C ATOM 837 C VAL A 53 -7.253 6.974 4.975 1.00 0.00 C ATOM 838 O VAL A 53 -7.307 7.853 4.125 1.00 0.00 O ATOM 839 CB VAL A 53 -5.622 5.119 4.557 1.00 0.00 C ATOM 840 CG1 VAL A 53 -5.257 4.362 5.838 1.00 0.00 C ATOM 841 CG2 VAL A 53 -5.324 4.252 3.335 1.00 0.00 C ATOM 0 H VAL A 53 -7.580 5.991 2.585 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.630 4.881 5.315 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.023 6.028 4.498 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.201 4.092 5.813 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.449 4.997 6.703 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.861 3.458 5.911 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.267 3.985 3.327 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.927 3.345 3.376 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.564 4.807 2.428 1.00 0.00 H new ATOM 851 N GLN A 54 -7.260 7.218 6.274 1.00 0.00 N ATOM 852 CA GLN A 54 -7.347 8.576 6.789 1.00 0.00 C ATOM 853 C GLN A 54 -5.963 9.242 6.721 1.00 0.00 C ATOM 854 O GLN A 54 -4.957 8.656 7.119 1.00 0.00 O ATOM 855 CB GLN A 54 -7.894 8.532 8.225 1.00 0.00 C ATOM 856 CG GLN A 54 -7.684 9.876 8.915 1.00 0.00 C ATOM 857 CD GLN A 54 -8.567 9.988 10.154 1.00 0.00 C ATOM 858 OE1 GLN A 54 -9.731 9.589 10.132 1.00 0.00 O ATOM 859 NE2 GLN A 54 -8.077 10.519 11.241 1.00 0.00 N ATOM 0 H GLN A 54 -7.207 6.495 6.992 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.029 9.173 6.184 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.956 8.286 8.209 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.393 7.745 8.788 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.637 9.986 9.197 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.915 10.686 8.223 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.112 10.849 11.257 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.659 10.604 12.074 1.00 0.00 H new ATOM 868 N GLY A 55 -5.922 10.452 6.160 1.00 0.00 N ATOM 869 CA GLY A 55 -4.661 11.183 5.982 1.00 0.00 C ATOM 870 C GLY A 55 -3.873 11.350 7.282 1.00 0.00 C ATOM 871 O GLY A 55 -2.823 11.993 7.294 1.00 0.00 O ATOM 0 H GLY A 55 -6.746 10.948 5.820 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.043 10.656 5.255 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.875 12.167 5.565 1.00 0.00 H new ATOM 875 N ASN A 56 -4.366 10.765 8.371 1.00 0.00 N ATOM 876 CA ASN A 56 -3.684 10.858 9.668 1.00 0.00 C ATOM 877 C ASN A 56 -3.141 9.487 10.073 1.00 0.00 C ATOM 878 O ASN A 56 -2.238 9.384 10.905 1.00 0.00 O ATOM 879 CB ASN A 56 -4.660 11.343 10.743 1.00 0.00 C ATOM 880 CG ASN A 56 -5.457 12.537 10.229 1.00 0.00 C ATOM 881 OD1 ASN A 56 -4.962 13.310 9.410 1.00 0.00 O ATOM 882 ND2 ASN A 56 -6.668 12.736 10.670 1.00 0.00 N ATOM 0 H ASN A 56 -5.230 10.223 8.386 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.861 11.567 9.576 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.338 10.536 11.020 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.112 11.622 11.643 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.208 13.534 10.336 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.076 12.093 11.349 1.00 0.00 H new ATOM 889 N LYS A 57 -3.710 8.437 9.481 1.00 0.00 N ATOM 890 CA LYS A 57 -3.296 7.069 9.789 1.00 0.00 C ATOM 891 C LYS A 57 -1.843 6.804 9.392 1.00 0.00 C ATOM 892 O LYS A 57 -1.063 6.291 10.194 1.00 0.00 O ATOM 893 CB LYS A 57 -4.234 6.083 9.046 1.00 0.00 C ATOM 894 CG LYS A 57 -5.189 5.397 10.036 1.00 0.00 C ATOM 895 CD LYS A 57 -6.204 4.552 9.267 1.00 0.00 C ATOM 896 CE LYS A 57 -7.125 3.832 10.253 1.00 0.00 C ATOM 897 NZ LYS A 57 -8.117 3.016 9.497 1.00 0.00 N ATOM 0 H LYS A 57 -4.456 8.507 8.788 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.366 6.925 10.867 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.808 6.618 8.290 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.641 5.332 8.524 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.625 4.768 10.725 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.705 6.146 10.637 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.791 5.186 8.602 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.687 3.826 8.640 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.540 3.193 10.914 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.639 4.557 10.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.745 2.525 10.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.682 3.637 8.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.617 2.315 8.913 1.00 0.00 H new ATOM 911 N ASP A 58 -1.498 7.138 8.154 1.00 0.00 N ATOM 912 CA ASP A 58 -0.146 6.920 7.662 1.00 0.00 C ATOM 913 C ASP A 58 0.225 5.436 7.733 1.00 0.00 C ATOM 914 O ASP A 58 1.354 5.093 8.080 1.00 0.00 O ATOM 915 CB ASP A 58 0.855 7.732 8.492 1.00 0.00 C ATOM 916 CG ASP A 58 0.433 9.197 8.533 1.00 0.00 C ATOM 917 OD1 ASP A 58 -0.311 9.610 7.658 1.00 0.00 O ATOM 918 OD2 ASP A 58 0.866 9.887 9.443 1.00 0.00 O ATOM 0 H ASP A 58 -2.134 7.559 7.476 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.108 7.245 6.622 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.909 7.332 9.505 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.852 7.644 8.061 1.00 0.00 H new ATOM 923 N HIS A 59 -0.726 4.550 7.414 1.00 0.00 N ATOM 924 CA HIS A 59 -0.462 3.108 7.462 1.00 0.00 C ATOM 925 C HIS A 59 -1.690 2.306 7.012 1.00 0.00 C ATOM 926 O HIS A 59 -2.827 2.748 7.174 1.00 0.00 O ATOM 927 CB HIS A 59 -0.037 2.686 8.904 1.00 0.00 C ATOM 928 CG HIS A 59 -1.168 1.988 9.628 1.00 0.00 C ATOM 929 ND1 HIS A 59 -2.144 2.685 10.324 1.00 0.00 N ATOM 930 CD2 HIS A 59 -1.492 0.660 9.756 1.00 0.00 C ATOM 931 CE1 HIS A 59 -3.001 1.779 10.835 1.00 0.00 C ATOM 932 NE2 HIS A 59 -2.649 0.530 10.518 1.00 0.00 N ATOM 0 H HIS A 59 -1.671 4.801 7.124 1.00 0.00 H new ATOM 0 HA HIS A 59 0.354 2.889 6.774 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.828 2.024 8.852 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.270 3.567 9.468 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.933 -0.160 9.330 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -3.867 2.032 11.429 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -3.126 -0.333 10.778 1.00 0.00 H new ATOM 940 N ILE A 60 -1.441 1.103 6.494 1.00 0.00 N ATOM 941 CA ILE A 60 -2.520 0.208 6.076 1.00 0.00 C ATOM 942 C ILE A 60 -2.088 -1.238 6.230 1.00 0.00 C ATOM 943 O ILE A 60 -0.926 -1.576 6.003 1.00 0.00 O ATOM 944 CB ILE A 60 -2.926 0.445 4.619 1.00 0.00 C ATOM 945 CG1 ILE A 60 -1.675 0.471 3.721 1.00 0.00 C ATOM 946 CG2 ILE A 60 -3.690 1.760 4.503 1.00 0.00 C ATOM 947 CD1 ILE A 60 -2.006 1.126 2.374 1.00 0.00 C ATOM 0 H ILE A 60 -0.503 0.726 6.354 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.377 0.419 6.715 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.573 -0.368 4.291 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.875 1.022 4.215 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.312 -0.544 3.561 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.977 1.924 3.464 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.585 1.717 5.124 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.055 2.580 4.838 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.114 1.139 1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.791 0.557 1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.348 2.148 2.540 1.00 0.00 H new ATOM 959 N ILE A 61 -3.037 -2.094 6.591 1.00 0.00 N ATOM 960 CA ILE A 61 -2.763 -3.517 6.754 1.00 0.00 C ATOM 961 C ILE A 61 -3.583 -4.320 5.754 1.00 0.00 C ATOM 962 O ILE A 61 -4.768 -4.562 5.978 1.00 0.00 O ATOM 963 CB ILE A 61 -3.157 -3.951 8.173 1.00 0.00 C ATOM 964 CG1 ILE A 61 -2.526 -3.008 9.213 1.00 0.00 C ATOM 965 CG2 ILE A 61 -2.683 -5.383 8.423 1.00 0.00 C ATOM 966 CD1 ILE A 61 -1.005 -2.966 9.043 1.00 0.00 C ATOM 0 H ILE A 61 -4.004 -1.827 6.777 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.701 -3.696 6.586 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.242 -3.905 8.267 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.938 -2.005 9.101 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.777 -3.346 10.219 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.964 -5.689 9.431 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.148 -6.052 7.698 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.599 -5.431 8.318 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.574 -2.295 9.786 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.596 -3.967 9.178 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.760 -2.606 8.044 1.00 0.00 H new ATOM 978 N LEU A 62 -2.950 -4.768 4.668 1.00 0.00 N ATOM 979 CA LEU A 62 -3.665 -5.575 3.690 1.00 0.00 C ATOM 980 C LEU A 62 -3.633 -7.009 4.193 1.00 0.00 C ATOM 981 O LEU A 62 -2.611 -7.688 4.105 1.00 0.00 O ATOM 982 CB LEU A 62 -2.988 -5.494 2.303 1.00 0.00 C ATOM 983 CG LEU A 62 -2.940 -4.050 1.745 1.00 0.00 C ATOM 984 CD1 LEU A 62 -4.235 -3.289 2.045 1.00 0.00 C ATOM 985 CD2 LEU A 62 -1.746 -3.281 2.326 1.00 0.00 C ATOM 0 H LEU A 62 -1.970 -4.590 4.450 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.687 -5.213 3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.973 -5.885 2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.527 -6.132 1.602 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.826 -4.126 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.166 -2.280 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.077 -3.808 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.385 -3.237 3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.732 -2.269 1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.836 -3.235 3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.820 -3.791 2.060 1.00 0.00 H new ATOM 997 N GLU A 63 -4.756 -7.446 4.746 1.00 0.00 N ATOM 998 CA GLU A 63 -4.865 -8.783 5.314 1.00 0.00 C ATOM 999 C GLU A 63 -5.209 -9.823 4.259 1.00 0.00 C ATOM 1000 O GLU A 63 -5.536 -9.496 3.117 1.00 0.00 O ATOM 1001 CB GLU A 63 -5.947 -8.775 6.394 1.00 0.00 C ATOM 1002 CG GLU A 63 -5.510 -7.852 7.533 1.00 0.00 C ATOM 1003 CD GLU A 63 -6.631 -7.714 8.555 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -7.688 -8.279 8.328 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -6.418 -7.042 9.551 1.00 0.00 O ATOM 0 H GLU A 63 -5.609 -6.891 4.814 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.898 -9.052 5.739 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.894 -8.434 5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.111 -9.785 6.770 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.617 -8.252 8.013 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.247 -6.872 7.136 1.00 0.00 H new ATOM 1012 N HIS A 64 -5.140 -11.081 4.670 1.00 0.00 N ATOM 1013 CA HIS A 64 -5.449 -12.190 3.781 1.00 0.00 C ATOM 1014 C HIS A 64 -4.661 -12.089 2.480 1.00 0.00 C ATOM 1015 O HIS A 64 -5.236 -11.922 1.403 1.00 0.00 O ATOM 1016 CB HIS A 64 -6.951 -12.203 3.477 1.00 0.00 C ATOM 1017 CG HIS A 64 -7.708 -12.643 4.701 1.00 0.00 C ATOM 1018 ND1 HIS A 64 -7.846 -11.834 5.819 1.00 0.00 N ATOM 1019 CD2 HIS A 64 -8.385 -13.802 4.992 1.00 0.00 C ATOM 1020 CE1 HIS A 64 -8.581 -12.512 6.721 1.00 0.00 C ATOM 1021 NE2 HIS A 64 -8.937 -13.716 6.266 1.00 0.00 N ATOM 0 H HIS A 64 -4.872 -11.359 5.614 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.166 -13.117 4.279 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.279 -11.210 3.171 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -7.159 -12.877 2.646 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -8.475 -14.652 4.332 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -8.850 -12.129 7.694 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.494 -14.421 6.749 1.00 0.00 H new ATOM 1029 N LEU A 65 -3.338 -12.230 2.582 1.00 0.00 N ATOM 1030 CA LEU A 65 -2.463 -12.197 1.410 1.00 0.00 C ATOM 1031 C LEU A 65 -2.082 -13.634 1.083 1.00 0.00 C ATOM 1032 O LEU A 65 -2.621 -14.561 1.682 1.00 0.00 O ATOM 1033 CB LEU A 65 -1.206 -11.340 1.696 1.00 0.00 C ATOM 1034 CG LEU A 65 -1.623 -9.967 2.246 1.00 0.00 C ATOM 1035 CD1 LEU A 65 -0.398 -9.036 2.325 1.00 0.00 C ATOM 1036 CD2 LEU A 65 -2.696 -9.340 1.342 1.00 0.00 C ATOM 0 H LEU A 65 -2.849 -12.368 3.466 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.974 -11.742 0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.564 -11.849 2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.625 -11.214 0.782 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.035 -10.100 3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.703 -8.065 2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.350 -9.474 2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.027 -8.909 1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.985 -8.367 1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.296 -9.216 0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.569 -9.992 1.308 1.00 0.00 H new ATOM 1048 N GLN A 66 -1.177 -13.831 0.134 1.00 0.00 N ATOM 1049 CA GLN A 66 -0.761 -15.187 -0.243 1.00 0.00 C ATOM 1050 C GLN A 66 0.756 -15.283 -0.297 1.00 0.00 C ATOM 1051 O GLN A 66 1.419 -14.453 -0.915 1.00 0.00 O ATOM 1052 CB GLN A 66 -1.379 -15.552 -1.602 1.00 0.00 C ATOM 1053 CG GLN A 66 -2.758 -16.191 -1.402 1.00 0.00 C ATOM 1054 CD GLN A 66 -3.380 -16.506 -2.759 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -3.747 -15.595 -3.500 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -3.515 -17.750 -3.131 1.00 0.00 N ATOM 0 H GLN A 66 -0.718 -13.084 -0.387 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.114 -15.893 0.508 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.470 -14.659 -2.220 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.724 -16.242 -2.134 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.665 -17.104 -0.813 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.405 -15.515 -0.843 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.210 -18.503 -2.514 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.926 -17.969 -4.039 1.00 0.00 H new ATOM 1065 N TRP A 67 1.292 -16.297 0.372 1.00 0.00 N ATOM 1066 CA TRP A 67 2.732 -16.500 0.421 1.00 0.00 C ATOM 1067 C TRP A 67 3.283 -16.947 -0.937 1.00 0.00 C ATOM 1068 O TRP A 67 4.497 -17.054 -1.107 1.00 0.00 O ATOM 1069 CB TRP A 67 3.068 -17.565 1.470 1.00 0.00 C ATOM 1070 CG TRP A 67 2.451 -17.211 2.789 1.00 0.00 C ATOM 1071 CD1 TRP A 67 1.289 -17.731 3.249 1.00 0.00 C ATOM 1072 CD2 TRP A 67 2.930 -16.295 3.824 1.00 0.00 C ATOM 1073 NE1 TRP A 67 1.021 -17.199 4.497 1.00 0.00 N ATOM 1074 CE2 TRP A 67 2.004 -16.316 4.898 1.00 0.00 C ATOM 1075 CE3 TRP A 67 4.058 -15.459 3.945 1.00 0.00 C ATOM 1076 CZ2 TRP A 67 2.191 -15.543 6.045 1.00 0.00 C ATOM 1077 CZ3 TRP A 67 4.241 -14.677 5.100 1.00 0.00 C ATOM 1078 CH2 TRP A 67 3.313 -14.725 6.148 1.00 0.00 C ATOM 0 H TRP A 67 0.750 -16.990 0.887 1.00 0.00 H new ATOM 0 HA TRP A 67 3.193 -15.548 0.685 1.00 0.00 H new ATOM 0 HB2 TRP A 67 2.703 -18.538 1.140 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.149 -17.650 1.578 1.00 0.00 H new ATOM 0 HD1 TRP A 67 0.671 -18.446 2.726 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.198 -17.431 5.053 1.00 0.00 H new ATOM 0 HE3 TRP A 67 4.785 -15.418 3.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 1.470 -15.579 6.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 5.105 -14.034 5.179 1.00 0.00 H new ATOM 0 HH2 TRP A 67 3.468 -14.128 7.035 1.00 0.00 H new ATOM 1089 N THR A 68 2.395 -17.228 -1.899 1.00 0.00 N ATOM 1090 CA THR A 68 2.833 -17.692 -3.231 1.00 0.00 C ATOM 1091 C THR A 68 2.331 -16.792 -4.359 1.00 0.00 C ATOM 1092 O THR A 68 2.397 -17.170 -5.529 1.00 0.00 O ATOM 1093 CB THR A 68 2.342 -19.122 -3.463 1.00 0.00 C ATOM 1094 OG1 THR A 68 0.924 -19.129 -3.566 1.00 0.00 O ATOM 1095 CG2 THR A 68 2.774 -19.999 -2.286 1.00 0.00 C ATOM 0 H THR A 68 1.384 -17.146 -1.788 1.00 0.00 H new ATOM 0 HA THR A 68 3.922 -17.656 -3.245 1.00 0.00 H new ATOM 0 HB THR A 68 2.771 -19.510 -4.387 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.611 -20.046 -3.716 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.427 -21.020 -2.446 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.861 -19.994 -2.208 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.342 -19.609 -1.364 1.00 0.00 H new ATOM 1103 N MET A 69 1.821 -15.610 -4.022 1.00 0.00 N ATOM 1104 CA MET A 69 1.312 -14.692 -5.047 1.00 0.00 C ATOM 1105 C MET A 69 1.638 -13.244 -4.687 1.00 0.00 C ATOM 1106 O MET A 69 1.291 -12.769 -3.605 1.00 0.00 O ATOM 1107 CB MET A 69 -0.206 -14.899 -5.208 1.00 0.00 C ATOM 1108 CG MET A 69 -0.866 -13.676 -5.863 1.00 0.00 C ATOM 1109 SD MET A 69 -2.381 -14.197 -6.711 1.00 0.00 S ATOM 1110 CE MET A 69 -1.661 -14.350 -8.360 1.00 0.00 C ATOM 0 H MET A 69 1.748 -15.266 -3.065 1.00 0.00 H new ATOM 0 HA MET A 69 1.799 -14.907 -5.998 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.393 -15.785 -5.815 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.657 -15.080 -4.232 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.098 -12.925 -5.108 1.00 0.00 H new ATOM 0 HG3 MET A 69 -0.179 -13.213 -6.572 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.440 -14.616 -9.074 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.212 -13.400 -8.650 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.896 -15.126 -8.352 1.00 0.00 H new ATOM 1120 N GLY A 70 2.311 -12.547 -5.605 1.00 0.00 N ATOM 1121 CA GLY A 70 2.682 -11.161 -5.377 1.00 0.00 C ATOM 1122 C GLY A 70 1.564 -10.218 -5.788 1.00 0.00 C ATOM 1123 O GLY A 70 0.655 -10.596 -6.527 1.00 0.00 O ATOM 0 H GLY A 70 2.606 -12.923 -6.506 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.917 -11.013 -4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.585 -10.926 -5.941 1.00 0.00 H new ATOM 1127 N TYR A 71 1.640 -8.986 -5.299 1.00 0.00 N ATOM 1128 CA TYR A 71 0.634 -7.981 -5.614 1.00 0.00 C ATOM 1129 C TYR A 71 1.254 -6.587 -5.549 1.00 0.00 C ATOM 1130 O TYR A 71 2.108 -6.321 -4.702 1.00 0.00 O ATOM 1131 CB TYR A 71 -0.531 -8.097 -4.625 1.00 0.00 C ATOM 1132 CG TYR A 71 -0.073 -7.738 -3.224 1.00 0.00 C ATOM 1133 CD1 TYR A 71 0.806 -8.578 -2.529 1.00 0.00 C ATOM 1134 CD2 TYR A 71 -0.545 -6.569 -2.614 1.00 0.00 C ATOM 1135 CE1 TYR A 71 1.212 -8.245 -1.231 1.00 0.00 C ATOM 1136 CE2 TYR A 71 -0.142 -6.240 -1.317 1.00 0.00 C ATOM 1137 CZ TYR A 71 0.735 -7.079 -0.625 1.00 0.00 C ATOM 1138 OH TYR A 71 1.128 -6.756 0.657 1.00 0.00 O ATOM 0 H TYR A 71 2.386 -8.660 -4.684 1.00 0.00 H new ATOM 0 HA TYR A 71 0.258 -8.145 -6.624 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.342 -7.436 -4.930 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.926 -9.113 -4.636 1.00 0.00 H new ATOM 0 HD1 TYR A 71 1.170 -9.482 -2.994 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.223 -5.919 -3.148 1.00 0.00 H new ATOM 0 HE1 TYR A 71 1.895 -8.890 -0.697 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.508 -5.338 -0.850 1.00 0.00 H new ATOM 0 HH TYR A 71 1.915 -7.286 0.901 1.00 0.00 H new ATOM 1148 N GLU A 72 0.823 -5.694 -6.446 1.00 0.00 N ATOM 1149 CA GLU A 72 1.351 -4.327 -6.470 1.00 0.00 C ATOM 1150 C GLU A 72 0.446 -3.411 -5.653 1.00 0.00 C ATOM 1151 O GLU A 72 -0.741 -3.673 -5.518 1.00 0.00 O ATOM 1152 CB GLU A 72 1.456 -3.794 -7.919 1.00 0.00 C ATOM 1153 CG GLU A 72 1.571 -4.960 -8.906 1.00 0.00 C ATOM 1154 CD GLU A 72 2.106 -4.457 -10.243 1.00 0.00 C ATOM 1155 OE1 GLU A 72 2.234 -3.252 -10.388 1.00 0.00 O ATOM 1156 OE2 GLU A 72 2.375 -5.279 -11.103 1.00 0.00 O ATOM 0 H GLU A 72 0.118 -5.890 -7.157 1.00 0.00 H new ATOM 0 HA GLU A 72 2.351 -4.341 -6.036 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.579 -3.192 -8.157 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.325 -3.142 -8.012 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.235 -5.725 -8.503 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.596 -5.426 -9.047 1.00 0.00 H new ATOM 1163 N VAL A 73 1.015 -2.337 -5.119 1.00 0.00 N ATOM 1164 CA VAL A 73 0.258 -1.376 -4.314 1.00 0.00 C ATOM 1165 C VAL A 73 0.424 0.016 -4.900 1.00 0.00 C ATOM 1166 O VAL A 73 1.540 0.430 -5.193 1.00 0.00 O ATOM 1167 CB VAL A 73 0.787 -1.382 -2.869 1.00 0.00 C ATOM 1168 CG1 VAL A 73 -0.304 -0.904 -1.909 1.00 0.00 C ATOM 1169 CG2 VAL A 73 1.209 -2.808 -2.503 1.00 0.00 C ATOM 0 H VAL A 73 2.003 -2.106 -5.228 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.796 -1.654 -4.318 1.00 0.00 H new ATOM 0 HB VAL A 73 1.641 -0.710 -2.790 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.080 -0.912 -0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.605 0.109 -2.176 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.165 -1.568 -1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.586 -2.825 -1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.350 -3.474 -2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.992 -3.142 -3.184 1.00 0.00 H new ATOM 1179 N GLN A 74 -0.680 0.735 -5.064 1.00 0.00 N ATOM 1180 CA GLN A 74 -0.631 2.087 -5.612 1.00 0.00 C ATOM 1181 C GLN A 74 -1.254 3.079 -4.642 1.00 0.00 C ATOM 1182 O GLN A 74 -2.474 3.166 -4.498 1.00 0.00 O ATOM 1183 CB GLN A 74 -1.350 2.120 -6.953 1.00 0.00 C ATOM 1184 CG GLN A 74 -1.311 3.537 -7.529 1.00 0.00 C ATOM 1185 CD GLN A 74 -1.857 3.532 -8.952 1.00 0.00 C ATOM 1186 OE1 GLN A 74 -2.307 2.496 -9.441 1.00 0.00 O ATOM 1187 NE2 GLN A 74 -1.840 4.635 -9.651 1.00 0.00 N ATOM 0 H GLN A 74 -1.616 0.407 -4.827 1.00 0.00 H new ATOM 0 HA GLN A 74 0.410 2.374 -5.762 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.878 1.423 -7.646 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.384 1.796 -6.830 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.901 4.209 -6.906 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.288 3.913 -7.524 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.466 5.492 -9.243 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.200 4.640 -10.605 1.00 0.00 H new ATOM 1196 N ILE A 75 -0.386 3.824 -3.976 1.00 0.00 N ATOM 1197 CA ILE A 75 -0.804 4.825 -3.003 1.00 0.00 C ATOM 1198 C ILE A 75 -1.057 6.152 -3.705 1.00 0.00 C ATOM 1199 O ILE A 75 -0.220 6.629 -4.461 1.00 0.00 O ATOM 1200 CB ILE A 75 0.305 4.958 -1.931 1.00 0.00 C ATOM 1201 CG1 ILE A 75 0.035 4.001 -0.772 1.00 0.00 C ATOM 1202 CG2 ILE A 75 0.423 6.390 -1.390 1.00 0.00 C ATOM 1203 CD1 ILE A 75 0.083 2.559 -1.274 1.00 0.00 C ATOM 0 H ILE A 75 0.625 3.754 -4.093 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.733 4.525 -2.519 1.00 0.00 H new ATOM 0 HB ILE A 75 1.248 4.704 -2.415 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.776 4.148 0.014 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.940 4.211 -0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.214 6.432 -0.641 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.661 7.070 -2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.523 6.686 -0.936 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.110 1.878 -0.445 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.675 2.416 -2.044 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.068 2.352 -1.692 1.00 0.00 H new ATOM 1215 N THR A 76 -2.207 6.753 -3.430 1.00 0.00 N ATOM 1216 CA THR A 76 -2.549 8.040 -4.021 1.00 0.00 C ATOM 1217 C THR A 76 -3.099 8.929 -2.920 1.00 0.00 C ATOM 1218 O THR A 76 -4.113 8.611 -2.304 1.00 0.00 O ATOM 1219 CB THR A 76 -3.576 7.849 -5.142 1.00 0.00 C ATOM 1220 OG1 THR A 76 -3.267 6.660 -5.855 1.00 0.00 O ATOM 1221 CG2 THR A 76 -3.534 9.044 -6.094 1.00 0.00 C ATOM 0 H THR A 76 -2.916 6.372 -2.804 1.00 0.00 H new ATOM 0 HA THR A 76 -1.668 8.507 -4.462 1.00 0.00 H new ATOM 0 HB THR A 76 -4.575 7.773 -4.713 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.921 6.530 -6.573 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.266 8.902 -6.889 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.767 9.956 -5.544 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.538 9.128 -6.529 1.00 0.00 H new ATOM 1229 N ALA A 77 -2.410 10.029 -2.659 1.00 0.00 N ATOM 1230 CA ALA A 77 -2.817 10.945 -1.605 1.00 0.00 C ATOM 1231 C ALA A 77 -3.788 11.972 -2.179 1.00 0.00 C ATOM 1232 O ALA A 77 -3.498 12.605 -3.192 1.00 0.00 O ATOM 1233 CB ALA A 77 -1.559 11.620 -1.034 1.00 0.00 C ATOM 0 H ALA A 77 -1.568 10.309 -3.162 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.326 10.413 -0.801 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.845 12.311 -0.241 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.890 10.860 -0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.049 12.168 -1.826 1.00 0.00 H new ATOM 1239 N ALA A 78 -4.952 12.116 -1.548 1.00 0.00 N ATOM 1240 CA ALA A 78 -5.965 13.046 -2.042 1.00 0.00 C ATOM 1241 C ALA A 78 -6.084 14.292 -1.180 1.00 0.00 C ATOM 1242 O ALA A 78 -6.664 14.259 -0.095 1.00 0.00 O ATOM 1243 CB ALA A 78 -7.320 12.340 -2.088 1.00 0.00 C ATOM 0 H ALA A 78 -5.215 11.607 -0.704 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.656 13.363 -3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.078 13.031 -2.456 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.259 11.479 -2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.590 12.005 -1.086 1.00 0.00 H new ATOM 1249 N ASN A 79 -5.585 15.410 -1.707 1.00 0.00 N ATOM 1250 CA ASN A 79 -5.687 16.697 -1.021 1.00 0.00 C ATOM 1251 C ASN A 79 -6.669 17.568 -1.798 1.00 0.00 C ATOM 1252 O ASN A 79 -7.351 17.083 -2.701 1.00 0.00 O ATOM 1253 CB ASN A 79 -4.310 17.393 -0.946 1.00 0.00 C ATOM 1254 CG ASN A 79 -3.455 17.010 -2.150 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -3.078 17.868 -2.946 1.00 0.00 O ATOM 1256 ND2 ASN A 79 -3.126 15.759 -2.328 1.00 0.00 N ATOM 0 H ASN A 79 -5.106 15.450 -2.607 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.035 16.542 0.000 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.443 18.474 -0.916 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.801 17.108 -0.025 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.555 15.491 -3.129 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.440 15.050 -1.666 1.00 0.00 H new ATOM 1263 N ARG A 80 -6.724 18.846 -1.463 1.00 0.00 N ATOM 1264 CA ARG A 80 -7.616 19.760 -2.166 1.00 0.00 C ATOM 1265 C ARG A 80 -7.462 19.584 -3.674 1.00 0.00 C ATOM 1266 O ARG A 80 -8.409 19.795 -4.433 1.00 0.00 O ATOM 1267 CB ARG A 80 -7.310 21.209 -1.765 1.00 0.00 C ATOM 1268 CG ARG A 80 -7.916 21.511 -0.391 1.00 0.00 C ATOM 1269 CD ARG A 80 -7.526 22.929 0.030 1.00 0.00 C ATOM 1270 NE ARG A 80 -8.187 23.286 1.282 1.00 0.00 N ATOM 1271 CZ ARG A 80 -7.656 22.983 2.464 1.00 0.00 C ATOM 1272 NH1 ARG A 80 -6.508 22.366 2.530 1.00 0.00 N ATOM 1273 NH2 ARG A 80 -8.285 23.311 3.560 1.00 0.00 N ATOM 0 H ARG A 80 -6.171 19.272 -0.720 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.645 19.532 -1.890 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -6.232 21.368 -1.739 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -7.716 21.894 -2.509 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.001 21.416 -0.430 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.559 20.789 0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -6.445 22.996 0.150 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -7.804 23.637 -0.751 1.00 0.00 H new ATOM 0 HE ARG A 80 -9.079 23.780 1.250 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -6.014 22.114 1.674 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -6.104 22.136 3.438 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -9.180 23.798 3.508 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -7.881 23.081 4.468 1.00 0.00 H new ATOM 1287 N LEU A 81 -6.270 19.180 -4.105 1.00 0.00 N ATOM 1288 CA LEU A 81 -6.030 18.958 -5.527 1.00 0.00 C ATOM 1289 C LEU A 81 -6.918 17.811 -6.006 1.00 0.00 C ATOM 1290 O LEU A 81 -7.504 17.865 -7.087 1.00 0.00 O ATOM 1291 CB LEU A 81 -4.558 18.595 -5.775 1.00 0.00 C ATOM 1292 CG LEU A 81 -3.678 19.857 -5.759 1.00 0.00 C ATOM 1293 CD1 LEU A 81 -3.955 20.734 -6.999 1.00 0.00 C ATOM 1294 CD2 LEU A 81 -3.964 20.656 -4.482 1.00 0.00 C ATOM 0 H LEU A 81 -5.467 19.002 -3.501 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.262 19.872 -6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.216 17.897 -5.010 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.460 18.089 -6.735 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.630 19.557 -5.781 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.322 21.621 -6.966 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.737 20.165 -7.903 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.002 21.036 -7.004 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.343 21.551 -4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.015 20.943 -4.460 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.738 20.042 -3.610 1.00 0.00 H new ATOM 1306 N GLY A 82 -7.001 16.774 -5.173 1.00 0.00 N ATOM 1307 CA GLY A 82 -7.801 15.584 -5.471 1.00 0.00 C ATOM 1308 C GLY A 82 -6.924 14.342 -5.416 1.00 0.00 C ATOM 1309 O GLY A 82 -7.268 13.348 -4.775 1.00 0.00 O ATOM 0 H GLY A 82 -6.518 16.734 -4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.617 15.495 -4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.253 15.677 -6.459 1.00 0.00 H new ATOM 1313 N TYR A 83 -5.777 14.425 -6.080 1.00 0.00 N ATOM 1314 CA TYR A 83 -4.818 13.327 -6.101 1.00 0.00 C ATOM 1315 C TYR A 83 -3.437 13.881 -6.424 1.00 0.00 C ATOM 1316 O TYR A 83 -3.289 14.666 -7.360 1.00 0.00 O ATOM 1317 CB TYR A 83 -5.192 12.287 -7.158 1.00 0.00 C ATOM 1318 CG TYR A 83 -6.691 12.096 -7.207 1.00 0.00 C ATOM 1319 CD1 TYR A 83 -7.483 12.975 -7.957 1.00 0.00 C ATOM 1320 CD2 TYR A 83 -7.290 11.036 -6.515 1.00 0.00 C ATOM 1321 CE1 TYR A 83 -8.871 12.795 -8.015 1.00 0.00 C ATOM 1322 CE2 TYR A 83 -8.677 10.857 -6.575 1.00 0.00 C ATOM 1323 CZ TYR A 83 -9.467 11.736 -7.324 1.00 0.00 C ATOM 1324 OH TYR A 83 -10.834 11.558 -7.383 1.00 0.00 O ATOM 0 H TYR A 83 -5.488 15.245 -6.613 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.823 12.846 -5.123 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.828 12.606 -8.135 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.706 11.338 -6.931 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.023 13.793 -8.491 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.682 10.357 -5.935 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.480 13.474 -8.593 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -9.138 10.039 -6.042 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.085 10.776 -6.848 1.00 0.00 H new ATOM 1334 N SER A 84 -2.428 13.478 -5.667 1.00 0.00 N ATOM 1335 CA SER A 84 -1.086 13.970 -5.932 1.00 0.00 C ATOM 1336 C SER A 84 -0.063 13.192 -5.130 1.00 0.00 C ATOM 1337 O SER A 84 -0.406 12.506 -4.166 1.00 0.00 O ATOM 1338 CB SER A 84 -1.001 15.455 -5.576 1.00 0.00 C ATOM 1339 OG SER A 84 0.284 15.952 -5.926 1.00 0.00 O ATOM 0 H SER A 84 -2.508 12.829 -4.884 1.00 0.00 H new ATOM 0 HA SER A 84 -0.870 13.836 -6.992 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.775 16.012 -6.105 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.179 15.595 -4.510 1.00 0.00 H new ATOM 0 HG SER A 84 0.247 16.928 -6.006 1.00 0.00 H new ATOM 1345 N GLU A 85 1.197 13.310 -5.519 1.00 0.00 N ATOM 1346 CA GLU A 85 2.253 12.624 -4.802 1.00 0.00 C ATOM 1347 C GLU A 85 1.927 11.131 -4.664 1.00 0.00 C ATOM 1348 O GLU A 85 1.961 10.573 -3.566 1.00 0.00 O ATOM 1349 CB GLU A 85 2.388 13.298 -3.428 1.00 0.00 C ATOM 1350 CG GLU A 85 3.569 12.753 -2.608 1.00 0.00 C ATOM 1351 CD GLU A 85 4.799 12.513 -3.479 1.00 0.00 C ATOM 1352 OE1 GLU A 85 4.915 11.423 -4.017 1.00 0.00 O ATOM 1353 OE2 GLU A 85 5.600 13.423 -3.605 1.00 0.00 O ATOM 0 H GLU A 85 1.508 13.866 -6.316 1.00 0.00 H new ATOM 0 HA GLU A 85 3.197 12.691 -5.343 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.513 14.372 -3.566 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.465 13.154 -2.866 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.817 13.458 -1.815 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.277 11.820 -2.126 1.00 0.00 H new ATOM 1360 N PRO A 86 1.617 10.480 -5.763 1.00 0.00 N ATOM 1361 CA PRO A 86 1.281 9.017 -5.791 1.00 0.00 C ATOM 1362 C PRO A 86 2.524 8.137 -5.620 1.00 0.00 C ATOM 1363 O PRO A 86 3.631 8.550 -5.969 1.00 0.00 O ATOM 1364 CB PRO A 86 0.690 8.827 -7.192 1.00 0.00 C ATOM 1365 CG PRO A 86 1.404 9.838 -8.019 1.00 0.00 C ATOM 1366 CD PRO A 86 1.562 11.064 -7.117 1.00 0.00 C ATOM 0 HA PRO A 86 0.610 8.732 -4.981 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.858 7.816 -7.563 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.387 8.994 -7.198 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.374 9.464 -8.346 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.837 10.082 -8.917 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.468 11.623 -7.352 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.725 11.754 -7.225 1.00 0.00 H new ATOM 1374 N THR A 87 2.333 6.907 -5.129 1.00 0.00 N ATOM 1375 CA THR A 87 3.446 5.971 -4.975 1.00 0.00 C ATOM 1376 C THR A 87 3.056 4.587 -5.441 1.00 0.00 C ATOM 1377 O THR A 87 2.179 3.943 -4.871 1.00 0.00 O ATOM 1378 CB THR A 87 3.926 5.878 -3.532 1.00 0.00 C ATOM 1379 OG1 THR A 87 4.152 7.183 -3.019 1.00 0.00 O ATOM 1380 CG2 THR A 87 5.221 5.061 -3.475 1.00 0.00 C ATOM 0 H THR A 87 1.427 6.542 -4.835 1.00 0.00 H new ATOM 0 HA THR A 87 4.258 6.359 -5.590 1.00 0.00 H new ATOM 0 HB THR A 87 3.165 5.385 -2.926 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.459 7.121 -2.091 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.564 4.995 -2.443 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.036 4.059 -3.861 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.985 5.548 -4.081 1.00 0.00 H new ATOM 1388 N VAL A 88 3.758 4.127 -6.458 1.00 0.00 N ATOM 1389 CA VAL A 88 3.541 2.797 -7.001 1.00 0.00 C ATOM 1390 C VAL A 88 4.567 1.854 -6.398 1.00 0.00 C ATOM 1391 O VAL A 88 5.706 1.782 -6.856 1.00 0.00 O ATOM 1392 CB VAL A 88 3.695 2.823 -8.526 1.00 0.00 C ATOM 1393 CG1 VAL A 88 3.416 1.430 -9.098 1.00 0.00 C ATOM 1394 CG2 VAL A 88 2.693 3.817 -9.116 1.00 0.00 C ATOM 0 H VAL A 88 4.490 4.659 -6.929 1.00 0.00 H new ATOM 0 HA VAL A 88 2.534 2.458 -6.757 1.00 0.00 H new ATOM 0 HB VAL A 88 4.711 3.123 -8.781 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.527 1.453 -10.182 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.123 0.715 -8.676 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.400 1.129 -8.843 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.798 3.839 -10.201 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.680 3.510 -8.856 1.00 0.00 H new ATOM 0 HG23 VAL A 88 2.886 4.811 -8.712 1.00 0.00 H new ATOM 1404 N TYR A 89 4.155 1.133 -5.361 1.00 0.00 N ATOM 1405 CA TYR A 89 5.046 0.189 -4.679 1.00 0.00 C ATOM 1406 C TYR A 89 4.725 -1.231 -5.125 1.00 0.00 C ATOM 1407 O TYR A 89 3.562 -1.603 -5.213 1.00 0.00 O ATOM 1408 CB TYR A 89 4.885 0.308 -3.156 1.00 0.00 C ATOM 1409 CG TYR A 89 5.798 -0.673 -2.436 1.00 0.00 C ATOM 1410 CD1 TYR A 89 7.178 -0.692 -2.702 1.00 0.00 C ATOM 1411 CD2 TYR A 89 5.264 -1.555 -1.481 1.00 0.00 C ATOM 1412 CE1 TYR A 89 8.011 -1.581 -2.021 1.00 0.00 C ATOM 1413 CE2 TYR A 89 6.105 -2.446 -0.802 1.00 0.00 C ATOM 1414 CZ TYR A 89 7.478 -2.460 -1.074 1.00 0.00 C ATOM 1415 OH TYR A 89 8.311 -3.334 -0.404 1.00 0.00 O ATOM 0 H TYR A 89 3.213 1.181 -4.972 1.00 0.00 H new ATOM 0 HA TYR A 89 6.078 0.425 -4.940 1.00 0.00 H new ATOM 0 HB2 TYR A 89 5.116 1.325 -2.840 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.848 0.116 -2.880 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.595 -0.017 -3.435 1.00 0.00 H new ATOM 0 HD2 TYR A 89 4.205 -1.546 -1.271 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.071 -1.590 -2.227 1.00 0.00 H new ATOM 0 HE2 TYR A 89 5.694 -3.123 -0.068 1.00 0.00 H new ATOM 0 HH TYR A 89 7.993 -4.252 -0.532 1.00 0.00 H new ATOM 1425 N GLU A 90 5.757 -2.027 -5.411 1.00 0.00 N ATOM 1426 CA GLU A 90 5.552 -3.411 -5.851 1.00 0.00 C ATOM 1427 C GLU A 90 6.528 -4.353 -5.154 1.00 0.00 C ATOM 1428 O GLU A 90 7.721 -4.068 -5.053 1.00 0.00 O ATOM 1429 CB GLU A 90 5.722 -3.503 -7.372 1.00 0.00 C ATOM 1430 CG GLU A 90 6.917 -2.654 -7.815 1.00 0.00 C ATOM 1431 CD GLU A 90 7.123 -2.799 -9.319 1.00 0.00 C ATOM 1432 OE1 GLU A 90 6.133 -2.833 -10.031 1.00 0.00 O ATOM 1433 OE2 GLU A 90 8.267 -2.870 -9.737 1.00 0.00 O ATOM 0 H GLU A 90 6.734 -1.742 -5.347 1.00 0.00 H new ATOM 0 HA GLU A 90 4.539 -3.713 -5.584 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.873 -4.541 -7.668 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.815 -3.158 -7.870 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.746 -1.608 -7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.815 -2.968 -7.283 1.00 0.00 H new ATOM 1440 N PHE A 91 6.001 -5.476 -4.678 1.00 0.00 N ATOM 1441 CA PHE A 91 6.818 -6.472 -3.993 1.00 0.00 C ATOM 1442 C PHE A 91 6.024 -7.757 -3.795 1.00 0.00 C ATOM 1443 O PHE A 91 4.867 -7.726 -3.376 1.00 0.00 O ATOM 1444 CB PHE A 91 7.304 -5.916 -2.648 1.00 0.00 C ATOM 1445 CG PHE A 91 6.182 -5.939 -1.627 1.00 0.00 C ATOM 1446 CD1 PHE A 91 5.102 -5.050 -1.735 1.00 0.00 C ATOM 1447 CD2 PHE A 91 6.226 -6.856 -0.568 1.00 0.00 C ATOM 1448 CE1 PHE A 91 4.071 -5.080 -0.781 1.00 0.00 C ATOM 1449 CE2 PHE A 91 5.200 -6.884 0.380 1.00 0.00 C ATOM 1450 CZ PHE A 91 4.124 -5.997 0.277 1.00 0.00 C ATOM 0 H PHE A 91 5.013 -5.719 -4.754 1.00 0.00 H new ATOM 0 HA PHE A 91 7.690 -6.702 -4.606 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.145 -6.507 -2.286 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.664 -4.896 -2.778 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.063 -4.343 -2.551 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.055 -7.543 -0.485 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.238 -4.397 -0.863 1.00 0.00 H new ATOM 0 HE2 PHE A 91 5.238 -7.592 1.194 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.334 -6.019 1.013 1.00 0.00 H new ATOM 1460 N SER A 92 6.655 -8.883 -4.116 1.00 0.00 N ATOM 1461 CA SER A 92 6.004 -10.178 -4.002 1.00 0.00 C ATOM 1462 C SER A 92 5.999 -10.674 -2.560 1.00 0.00 C ATOM 1463 O SER A 92 6.661 -10.107 -1.690 1.00 0.00 O ATOM 1464 CB SER A 92 6.710 -11.195 -4.894 1.00 0.00 C ATOM 1465 OG SER A 92 8.113 -11.117 -4.675 1.00 0.00 O ATOM 0 H SER A 92 7.616 -8.922 -4.457 1.00 0.00 H new ATOM 0 HA SER A 92 4.969 -10.063 -4.324 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.351 -12.200 -4.674 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.482 -10.998 -5.941 1.00 0.00 H new ATOM 0 HG SER A 92 8.570 -11.770 -5.245 1.00 0.00 H new ATOM 1471 N MET A 93 5.226 -11.730 -2.312 1.00 0.00 N ATOM 1472 CA MET A 93 5.111 -12.303 -0.973 1.00 0.00 C ATOM 1473 C MET A 93 6.081 -13.485 -0.807 1.00 0.00 C ATOM 1474 O MET A 93 6.214 -14.301 -1.721 1.00 0.00 O ATOM 1475 CB MET A 93 3.683 -12.801 -0.764 1.00 0.00 C ATOM 1476 CG MET A 93 2.740 -11.604 -0.688 1.00 0.00 C ATOM 1477 SD MET A 93 3.010 -10.729 0.876 1.00 0.00 S ATOM 1478 CE MET A 93 2.348 -11.991 1.992 1.00 0.00 C ATOM 0 H MET A 93 4.670 -12.206 -3.022 1.00 0.00 H new ATOM 0 HA MET A 93 5.358 -11.536 -0.239 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.391 -13.458 -1.583 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.620 -13.387 0.153 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.917 -10.933 -1.529 1.00 0.00 H new ATOM 0 HG3 MET A 93 1.704 -11.937 -0.758 1.00 0.00 H new ATOM 0 HE1 MET A 93 2.042 -11.524 2.928 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.487 -12.472 1.528 1.00 0.00 H new ATOM 0 HE3 MET A 93 3.116 -12.738 2.193 1.00 0.00 H new ATOM 1488 N PRO A 94 6.746 -13.608 0.325 1.00 0.00 N ATOM 1489 CA PRO A 94 7.699 -14.736 0.584 1.00 0.00 C ATOM 1490 C PRO A 94 6.954 -16.042 0.853 1.00 0.00 C ATOM 1491 O PRO A 94 5.755 -16.023 1.114 1.00 0.00 O ATOM 1492 CB PRO A 94 8.466 -14.264 1.832 1.00 0.00 C ATOM 1493 CG PRO A 94 7.509 -13.379 2.558 1.00 0.00 C ATOM 1494 CD PRO A 94 6.673 -12.689 1.482 1.00 0.00 C ATOM 0 HA PRO A 94 8.350 -14.949 -0.264 1.00 0.00 H new ATOM 0 HB2 PRO A 94 8.771 -15.108 2.451 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.373 -13.725 1.558 1.00 0.00 H new ATOM 0 HG2 PRO A 94 6.877 -13.958 3.232 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.040 -12.648 3.168 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.644 -12.542 1.810 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.073 -11.705 1.236 1.00 0.00 H new ATOM 1502 N PRO A 95 7.630 -17.166 0.799 1.00 0.00 N ATOM 1503 CA PRO A 95 6.995 -18.494 1.065 1.00 0.00 C ATOM 1504 C PRO A 95 6.520 -18.612 2.514 1.00 0.00 C ATOM 1505 O PRO A 95 7.084 -17.992 3.414 1.00 0.00 O ATOM 1506 CB PRO A 95 8.111 -19.503 0.742 1.00 0.00 C ATOM 1507 CG PRO A 95 9.382 -18.735 0.905 1.00 0.00 C ATOM 1508 CD PRO A 95 9.062 -17.304 0.475 1.00 0.00 C ATOM 0 HA PRO A 95 6.099 -18.659 0.467 1.00 0.00 H new ATOM 0 HB2 PRO A 95 8.077 -20.359 1.416 1.00 0.00 H new ATOM 0 HB3 PRO A 95 8.011 -19.892 -0.272 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.727 -18.765 1.939 1.00 0.00 H new ATOM 0 HG3 PRO A 95 10.177 -19.159 0.291 1.00 0.00 H new ATOM 0 HD2 PRO A 95 9.669 -16.577 1.014 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.251 -17.151 -0.588 1.00 0.00 H new ATOM 1516 N LYS A 96 5.472 -19.406 2.722 1.00 0.00 N ATOM 1517 CA LYS A 96 4.907 -19.594 4.056 1.00 0.00 C ATOM 1518 C LYS A 96 6.015 -19.716 5.116 1.00 0.00 C ATOM 1519 O LYS A 96 6.965 -20.476 4.932 1.00 0.00 O ATOM 1520 CB LYS A 96 4.050 -20.874 4.075 1.00 0.00 C ATOM 1521 CG LYS A 96 3.409 -21.105 5.467 1.00 0.00 C ATOM 1522 CD LYS A 96 2.118 -20.272 5.615 1.00 0.00 C ATOM 1523 CE LYS A 96 0.912 -21.075 5.113 1.00 0.00 C ATOM 1524 NZ LYS A 96 0.563 -22.130 6.107 1.00 0.00 N ATOM 0 H LYS A 96 4.998 -19.929 1.985 1.00 0.00 H new ATOM 0 HA LYS A 96 4.294 -18.724 4.292 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.267 -20.801 3.320 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.669 -21.732 3.811 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.183 -22.163 5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.117 -20.831 6.249 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.972 -19.996 6.659 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.208 -19.344 5.050 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.061 -20.412 4.957 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.142 -21.531 4.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.417 -22.441 5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.205 -22.940 5.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.657 -21.746 7.069 1.00 0.00 H new ATOM 1538 N PRO A 97 5.899 -19.025 6.235 1.00 0.00 N ATOM 1539 CA PRO A 97 6.901 -19.120 7.338 1.00 0.00 C ATOM 1540 C PRO A 97 6.771 -20.430 8.111 1.00 0.00 C ATOM 1541 O PRO A 97 5.718 -21.067 8.097 1.00 0.00 O ATOM 1542 CB PRO A 97 6.562 -17.923 8.230 1.00 0.00 C ATOM 1543 CG PRO A 97 5.100 -17.713 8.040 1.00 0.00 C ATOM 1544 CD PRO A 97 4.815 -18.074 6.583 1.00 0.00 C ATOM 0 HA PRO A 97 7.927 -19.107 6.970 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.801 -18.127 9.274 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.130 -17.039 7.940 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.523 -18.341 8.719 1.00 0.00 H new ATOM 0 HG3 PRO A 97 4.823 -16.680 8.249 1.00 0.00 H new ATOM 0 HD2 PRO A 97 3.831 -18.530 6.469 1.00 0.00 H new ATOM 0 HD3 PRO A 97 4.835 -17.193 5.941 1.00 0.00 H new ATOM 1552 N ASN A 98 7.840 -20.819 8.797 1.00 0.00 N ATOM 1553 CA ASN A 98 7.821 -22.043 9.581 1.00 0.00 C ATOM 1554 C ASN A 98 7.118 -21.798 10.914 1.00 0.00 C ATOM 1555 O ASN A 98 5.989 -21.307 10.946 1.00 0.00 O ATOM 1556 CB ASN A 98 9.250 -22.540 9.820 1.00 0.00 C ATOM 1557 CG ASN A 98 9.229 -23.947 10.414 1.00 0.00 C ATOM 1558 OD1 ASN A 98 10.127 -24.317 11.170 1.00 0.00 O ATOM 1559 ND2 ASN A 98 8.255 -24.763 10.113 1.00 0.00 N ATOM 0 H ASN A 98 8.722 -20.308 8.825 1.00 0.00 H new ATOM 0 HA ASN A 98 7.274 -22.807 9.029 1.00 0.00 H new ATOM 0 HB2 ASN A 98 9.803 -22.543 8.881 1.00 0.00 H new ATOM 0 HB3 ASN A 98 9.771 -21.861 10.495 1.00 0.00 H new ATOM 0 HD21 ASN A 98 8.239 -25.705 10.504 1.00 0.00 H new ATOM 0 HD22 ASN A 98 7.510 -24.459 9.487 1.00 0.00 H new ATOM 1566 N ILE A 99 7.794 -22.140 12.011 1.00 0.00 N ATOM 1567 CA ILE A 99 7.227 -21.959 13.351 1.00 0.00 C ATOM 1568 C ILE A 99 7.947 -20.842 14.101 1.00 0.00 C ATOM 1569 O ILE A 99 7.585 -20.512 15.231 1.00 0.00 O ATOM 1570 CB ILE A 99 7.327 -23.273 14.131 1.00 0.00 C ATOM 1571 CG1 ILE A 99 8.801 -23.689 14.261 1.00 0.00 C ATOM 1572 CG2 ILE A 99 6.555 -24.358 13.377 1.00 0.00 C ATOM 1573 CD1 ILE A 99 8.915 -24.919 15.167 1.00 0.00 C ATOM 0 H ILE A 99 8.731 -22.542 12.000 1.00 0.00 H new ATOM 0 HA ILE A 99 6.179 -21.676 13.252 1.00 0.00 H new ATOM 0 HB ILE A 99 6.905 -23.141 15.127 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.214 -23.911 13.277 1.00 0.00 H new ATOM 0 HG13 ILE A 99 9.385 -22.867 14.674 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.620 -25.298 13.925 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.510 -24.063 13.285 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.985 -24.486 12.383 1.00 0.00 H new ATOM 0 HD11 ILE A 99 9.962 -25.210 15.256 1.00 0.00 H new ATOM 0 HD12 ILE A 99 8.519 -24.681 16.154 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.345 -25.742 14.736 1.00 0.00 H new ATOM 1585 N ILE A 100 8.970 -20.269 13.478 1.00 0.00 N ATOM 1586 CA ILE A 100 9.731 -19.205 14.112 1.00 0.00 C ATOM 1587 C ILE A 100 8.859 -17.960 14.321 1.00 0.00 C ATOM 1588 O ILE A 100 8.173 -17.858 15.338 1.00 0.00 O ATOM 1589 CB ILE A 100 10.991 -18.911 13.272 1.00 0.00 C ATOM 1590 CG1 ILE A 100 11.770 -17.734 13.887 1.00 0.00 C ATOM 1591 CG2 ILE A 100 10.615 -18.606 11.791 1.00 0.00 C ATOM 1592 CD1 ILE A 100 12.135 -18.034 15.343 1.00 0.00 C ATOM 0 H ILE A 100 9.288 -20.522 12.542 1.00 0.00 H new ATOM 0 HA ILE A 100 10.054 -19.522 15.104 1.00 0.00 H new ATOM 0 HB ILE A 100 11.626 -19.797 13.279 1.00 0.00 H new ATOM 0 HG12 ILE A 100 12.676 -17.549 13.310 1.00 0.00 H new ATOM 0 HG13 ILE A 100 11.169 -16.826 13.836 1.00 0.00 H new ATOM 0 HG21 ILE A 100 11.521 -18.402 11.220 1.00 0.00 H new ATOM 0 HG22 ILE A 100 10.101 -19.466 11.361 1.00 0.00 H new ATOM 0 HG23 ILE A 100 9.959 -17.736 11.754 1.00 0.00 H new ATOM 0 HD11 ILE A 100 12.685 -17.191 15.761 1.00 0.00 H new ATOM 0 HD12 ILE A 100 11.225 -18.196 15.920 1.00 0.00 H new ATOM 0 HD13 ILE A 100 12.755 -18.929 15.386 1.00 0.00 H new ATOM 1604 N LYS A 101 8.868 -17.021 13.379 1.00 0.00 N ATOM 1605 CA LYS A 101 8.051 -15.823 13.528 1.00 0.00 C ATOM 1606 C LYS A 101 8.036 -14.999 12.245 1.00 0.00 C ATOM 1607 O LYS A 101 9.003 -15.004 11.481 1.00 0.00 O ATOM 1608 CB LYS A 101 8.583 -14.967 14.676 1.00 0.00 C ATOM 1609 CG LYS A 101 7.613 -13.814 14.931 1.00 0.00 C ATOM 1610 CD LYS A 101 8.075 -13.030 16.157 1.00 0.00 C ATOM 1611 CE LYS A 101 7.104 -11.880 16.431 1.00 0.00 C ATOM 1612 NZ LYS A 101 7.575 -11.107 17.614 1.00 0.00 N ATOM 0 H LYS A 101 9.420 -17.064 12.522 1.00 0.00 H new ATOM 0 HA LYS A 101 7.031 -16.139 13.746 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.693 -15.572 15.576 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.571 -14.579 14.429 1.00 0.00 H new ATOM 0 HG2 LYS A 101 7.571 -13.159 14.061 1.00 0.00 H new ATOM 0 HG3 LYS A 101 6.606 -14.199 15.089 1.00 0.00 H new ATOM 0 HD2 LYS A 101 8.127 -13.689 17.024 1.00 0.00 H new ATOM 0 HD3 LYS A 101 9.079 -12.639 15.993 1.00 0.00 H new ATOM 0 HE2 LYS A 101 7.039 -11.229 15.559 1.00 0.00 H new ATOM 0 HE3 LYS A 101 6.103 -12.270 16.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.916 -10.325 17.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.615 -11.733 18.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 8.523 -10.723 17.423 1.00 0.00 H new ATOM 1626 N ASP A 102 6.945 -14.275 12.025 1.00 0.00 N ATOM 1627 CA ASP A 102 6.820 -13.430 10.843 1.00 0.00 C ATOM 1628 C ASP A 102 5.632 -12.486 10.988 1.00 0.00 C ATOM 1629 O ASP A 102 5.819 -11.405 11.523 1.00 0.00 O ATOM 1630 CB ASP A 102 6.639 -14.286 9.588 1.00 0.00 C ATOM 1631 CG ASP A 102 6.682 -13.399 8.349 1.00 0.00 C ATOM 1632 OD1 ASP A 102 7.526 -12.518 8.310 1.00 0.00 O ATOM 1633 OD2 ASP A 102 5.871 -13.606 7.463 1.00 0.00 O ATOM 0 H ASP A 102 6.137 -14.256 12.647 1.00 0.00 H new ATOM 0 HA ASP A 102 7.735 -12.845 10.747 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.424 -15.040 9.534 1.00 0.00 H new ATOM 0 HB3 ASP A 102 5.689 -14.818 9.633 1.00 0.00 H new TER 1638 ASP A 102