USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 799 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 51 THR OG1 : rot 100:sc= 1.07 USER MOD Set 1.2: A 52 HIS : no HD1:sc= 0.36 K(o=1.4,f=-10!) USER MOD Single : A 1 GLY N :NH3+ 137:sc= 0.0242 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00285 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.719 K(o=-0.72,f=-4.3!) USER MOD Single : A 16 CYS SG : rot 48:sc= 1.23 USER MOD Single : A 19 SER OG : rot -130:sc= -2.57! USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.427 X(o=-0.43,f=-0.047) USER MOD Single : A 30 SER OG : rot 31:sc= 0.0217 USER MOD Single : A 31 MET CE :methyl -144:sc= -1.74 (180deg=-6.35!) USER MOD Single : A 34 MET CE :methyl 164:sc= -0.0031 (180deg=-0.147) USER MOD Single : A 35 THR OG1 : rot 80:sc= 1.16 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -3.03! C(o=-3!,f=-3.4!) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0156 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 102:sc= -2.24 USER MOD Single : A 58 ASN :FLIP amide:sc= -10.6! C(o=-11!,f=-11!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0417) USER MOD Single : A 70 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0396) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.747 K(o=-0.75,f=-6!) USER MOD Single : A 82 SER OG : rot 180:sc= 0.342 USER MOD Single : A 84 GLN : amide:sc= -0.0697 X(o=-0.07,f=-0.45) USER MOD Single : A 85 MET CE :methyl 166:sc= -4.46! (180deg=-5.92!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 170:sc= 0 (180deg=-0.0684) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -129:sc= 1.78 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 THR OG1 : rot -91:sc= 0.0562 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.038 23.282 12.262 1.00 0.00 N ATOM 2 CA GLY A 1 -6.514 22.562 11.117 1.00 0.00 C ATOM 3 C GLY A 1 -6.397 23.439 9.885 1.00 0.00 C ATOM 4 O GLY A 1 -7.212 24.337 9.674 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.738 22.690 12.753 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.260 23.512 12.913 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.492 24.161 11.941 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.533 22.156 11.365 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.163 21.715 10.896 1.00 0.00 H new ATOM 8 N SER A 2 -5.379 23.179 9.071 1.00 0.00 N ATOM 9 CA SER A 2 -5.155 23.955 7.856 1.00 0.00 C ATOM 10 C SER A 2 -5.791 23.271 6.650 1.00 0.00 C ATOM 11 O SER A 2 -5.915 22.047 6.610 1.00 0.00 O ATOM 12 CB SER A 2 -3.656 24.145 7.617 1.00 0.00 C ATOM 13 OG SER A 2 -3.407 24.654 6.318 1.00 0.00 O ATOM 0 H SER A 2 -4.697 22.438 9.230 1.00 0.00 H new ATOM 0 HA SER A 2 -5.622 24.931 7.986 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.249 24.828 8.363 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.141 23.193 7.743 1.00 0.00 H new ATOM 0 HG SER A 2 -2.442 24.768 6.191 1.00 0.00 H new ATOM 19 N SER A 3 -6.193 24.072 5.668 1.00 0.00 N ATOM 20 CA SER A 3 -6.821 23.546 4.461 1.00 0.00 C ATOM 21 C SER A 3 -6.553 24.459 3.268 1.00 0.00 C ATOM 22 O SER A 3 -6.137 25.605 3.430 1.00 0.00 O ATOM 23 CB SER A 3 -8.328 23.392 4.671 1.00 0.00 C ATOM 24 OG SER A 3 -8.968 24.655 4.724 1.00 0.00 O ATOM 0 H SER A 3 -6.095 25.087 5.684 1.00 0.00 H new ATOM 0 HA SER A 3 -6.389 22.567 4.252 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.752 22.800 3.860 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.515 22.847 5.596 1.00 0.00 H new ATOM 0 HG SER A 3 -9.931 24.529 4.857 1.00 0.00 H new ATOM 30 N GLY A 4 -6.796 23.940 2.068 1.00 0.00 N ATOM 31 CA GLY A 4 -6.575 24.720 0.864 1.00 0.00 C ATOM 32 C GLY A 4 -7.702 24.569 -0.139 1.00 0.00 C ATOM 33 O GLY A 4 -8.443 23.586 -0.107 1.00 0.00 O ATOM 0 H GLY A 4 -7.142 22.994 1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.468 25.772 1.130 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.637 24.411 0.402 1.00 0.00 H new ATOM 37 N SER A 5 -7.833 25.546 -1.030 1.00 0.00 N ATOM 38 CA SER A 5 -8.881 25.520 -2.044 1.00 0.00 C ATOM 39 C SER A 5 -8.291 25.271 -3.429 1.00 0.00 C ATOM 40 O SER A 5 -9.017 25.193 -4.420 1.00 0.00 O ATOM 41 CB SER A 5 -9.659 26.838 -2.037 1.00 0.00 C ATOM 42 OG SER A 5 -8.808 27.933 -2.330 1.00 0.00 O ATOM 0 H SER A 5 -7.227 26.365 -1.071 1.00 0.00 H new ATOM 0 HA SER A 5 -9.562 24.703 -1.807 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.464 26.793 -2.770 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.123 26.985 -1.062 1.00 0.00 H new ATOM 0 HG SER A 5 -9.329 28.763 -2.321 1.00 0.00 H new ATOM 48 N SER A 6 -6.969 25.147 -3.489 1.00 0.00 N ATOM 49 CA SER A 6 -6.280 24.911 -4.752 1.00 0.00 C ATOM 50 C SER A 6 -6.027 23.421 -4.962 1.00 0.00 C ATOM 51 O SER A 6 -6.484 22.835 -5.943 1.00 0.00 O ATOM 52 CB SER A 6 -4.955 25.675 -4.785 1.00 0.00 C ATOM 53 OG SER A 6 -5.169 27.059 -4.998 1.00 0.00 O ATOM 0 H SER A 6 -6.354 25.206 -2.678 1.00 0.00 H new ATOM 0 HA SER A 6 -6.918 25.271 -5.559 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.423 25.527 -3.845 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.321 25.276 -5.577 1.00 0.00 H new ATOM 0 HG SER A 6 -4.307 27.525 -5.013 1.00 0.00 H new ATOM 59 N GLY A 7 -5.295 22.815 -4.033 1.00 0.00 N ATOM 60 CA GLY A 7 -4.993 21.399 -4.134 1.00 0.00 C ATOM 61 C GLY A 7 -3.579 21.140 -4.616 1.00 0.00 C ATOM 62 O GLY A 7 -2.624 21.246 -3.846 1.00 0.00 O ATOM 0 H GLY A 7 -4.906 23.279 -3.212 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.133 20.931 -3.160 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.699 20.928 -4.818 1.00 0.00 H new ATOM 66 N PHE A 8 -3.444 20.800 -5.893 1.00 0.00 N ATOM 67 CA PHE A 8 -2.137 20.523 -6.477 1.00 0.00 C ATOM 68 C PHE A 8 -1.402 19.450 -5.679 1.00 0.00 C ATOM 69 O PHE A 8 -0.189 19.528 -5.482 1.00 0.00 O ATOM 70 CB PHE A 8 -1.297 21.801 -6.529 1.00 0.00 C ATOM 71 CG PHE A 8 -1.835 22.833 -7.479 1.00 0.00 C ATOM 72 CD1 PHE A 8 -3.029 23.483 -7.212 1.00 0.00 C ATOM 73 CD2 PHE A 8 -1.146 23.154 -8.637 1.00 0.00 C ATOM 74 CE1 PHE A 8 -3.527 24.432 -8.084 1.00 0.00 C ATOM 75 CE2 PHE A 8 -1.638 24.103 -9.513 1.00 0.00 C ATOM 76 CZ PHE A 8 -2.830 24.744 -9.236 1.00 0.00 C ATOM 0 H PHE A 8 -4.224 20.710 -6.544 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.290 20.156 -7.492 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.243 22.232 -5.529 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.279 21.545 -6.821 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.577 23.245 -6.312 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.213 22.657 -8.858 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.460 24.930 -7.866 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.091 24.343 -10.413 1.00 0.00 H new ATOM 0 HZ PHE A 8 -3.216 25.487 -9.918 1.00 0.00 H new ATOM 86 N LYS A 9 -2.145 18.448 -5.221 1.00 0.00 N ATOM 87 CA LYS A 9 -1.566 17.358 -4.445 1.00 0.00 C ATOM 88 C LYS A 9 -2.292 16.046 -4.725 1.00 0.00 C ATOM 89 O LYS A 9 -3.510 16.023 -4.898 1.00 0.00 O ATOM 90 CB LYS A 9 -1.629 17.679 -2.950 1.00 0.00 C ATOM 91 CG LYS A 9 -0.855 16.699 -2.085 1.00 0.00 C ATOM 92 CD LYS A 9 0.639 16.971 -2.134 1.00 0.00 C ATOM 93 CE LYS A 9 1.041 18.058 -1.149 1.00 0.00 C ATOM 94 NZ LYS A 9 1.188 17.526 0.234 1.00 0.00 N ATOM 0 H LYS A 9 -3.150 18.368 -5.374 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.523 17.247 -4.743 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.238 18.683 -2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.672 17.687 -2.632 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.204 16.767 -1.055 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.052 15.681 -2.422 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.184 16.055 -1.908 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.922 17.270 -3.143 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.982 18.507 -1.467 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.292 18.850 -1.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.463 18.297 0.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.283 17.120 0.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.921 16.788 0.246 1.00 0.00 H new ATOM 108 N VAL A 10 -1.536 14.953 -4.766 1.00 0.00 N ATOM 109 CA VAL A 10 -2.108 13.637 -5.022 1.00 0.00 C ATOM 110 C VAL A 10 -1.646 12.625 -3.978 1.00 0.00 C ATOM 111 O VAL A 10 -0.471 12.561 -3.616 1.00 0.00 O ATOM 112 CB VAL A 10 -1.727 13.122 -6.423 1.00 0.00 C ATOM 113 CG1 VAL A 10 -2.259 11.713 -6.637 1.00 0.00 C ATOM 114 CG2 VAL A 10 -2.248 14.066 -7.496 1.00 0.00 C ATOM 0 H VAL A 10 -0.526 14.953 -4.625 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.191 13.746 -4.965 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.640 13.089 -6.496 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.980 11.366 -7.632 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.834 11.046 -5.887 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.345 11.716 -6.545 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.970 13.687 -8.480 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.334 14.133 -7.426 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.814 15.055 -7.352 1.00 0.00 H new ATOM 124 N PRO A 11 -2.593 11.814 -3.482 1.00 0.00 N ATOM 125 CA PRO A 11 -2.307 10.789 -2.474 1.00 0.00 C ATOM 126 C PRO A 11 -1.477 9.639 -3.034 1.00 0.00 C ATOM 127 O PRO A 11 -1.416 9.418 -4.244 1.00 0.00 O ATOM 128 CB PRO A 11 -3.698 10.296 -2.066 1.00 0.00 C ATOM 129 CG PRO A 11 -4.561 10.580 -3.246 1.00 0.00 C ATOM 130 CD PRO A 11 -4.013 11.834 -3.868 1.00 0.00 C ATOM 0 HA PRO A 11 -1.719 11.185 -1.646 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.688 9.232 -1.830 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.058 10.816 -1.178 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.539 9.752 -3.954 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.600 10.715 -2.946 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.135 11.832 -4.951 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.519 12.723 -3.492 1.00 0.00 H new ATOM 138 N PRO A 12 -0.823 8.888 -2.136 1.00 0.00 N ATOM 139 CA PRO A 12 0.015 7.747 -2.519 1.00 0.00 C ATOM 140 C PRO A 12 -0.807 6.576 -3.046 1.00 0.00 C ATOM 141 O PRO A 12 -0.260 5.614 -3.586 1.00 0.00 O ATOM 142 CB PRO A 12 0.713 7.365 -1.211 1.00 0.00 C ATOM 143 CG PRO A 12 -0.201 7.850 -0.139 1.00 0.00 C ATOM 144 CD PRO A 12 -0.851 9.094 -0.679 1.00 0.00 C ATOM 0 HA PRO A 12 0.702 7.998 -3.327 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.866 6.288 -1.144 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.695 7.832 -1.135 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.948 7.095 0.108 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.350 8.064 0.777 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.870 9.208 -0.309 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.304 9.991 -0.389 1.00 0.00 H new ATOM 152 N PHE A 13 -2.123 6.663 -2.886 1.00 0.00 N ATOM 153 CA PHE A 13 -3.020 5.609 -3.346 1.00 0.00 C ATOM 154 C PHE A 13 -4.030 6.155 -4.352 1.00 0.00 C ATOM 155 O PHE A 13 -5.077 5.552 -4.585 1.00 0.00 O ATOM 156 CB PHE A 13 -3.754 4.981 -2.159 1.00 0.00 C ATOM 157 CG PHE A 13 -2.834 4.427 -1.110 1.00 0.00 C ATOM 158 CD1 PHE A 13 -1.680 3.749 -1.470 1.00 0.00 C ATOM 159 CD2 PHE A 13 -3.122 4.583 0.236 1.00 0.00 C ATOM 160 CE1 PHE A 13 -0.830 3.238 -0.507 1.00 0.00 C ATOM 161 CE2 PHE A 13 -2.276 4.074 1.203 1.00 0.00 C ATOM 162 CZ PHE A 13 -1.129 3.400 0.831 1.00 0.00 C ATOM 0 H PHE A 13 -2.592 7.452 -2.441 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.420 4.844 -3.839 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -4.401 5.731 -1.704 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.400 4.182 -2.523 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.442 3.618 -2.515 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.018 5.108 0.533 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.067 2.713 -0.801 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.512 4.203 2.249 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.467 3.001 1.585 1.00 0.00 H new ATOM 172 N GLN A 14 -3.706 7.300 -4.944 1.00 0.00 N ATOM 173 CA GLN A 14 -4.585 7.928 -5.923 1.00 0.00 C ATOM 174 C GLN A 14 -5.071 6.910 -6.950 1.00 0.00 C ATOM 175 O GLN A 14 -4.276 6.336 -7.693 1.00 0.00 O ATOM 176 CB GLN A 14 -3.859 9.075 -6.629 1.00 0.00 C ATOM 177 CG GLN A 14 -4.686 9.738 -7.719 1.00 0.00 C ATOM 178 CD GLN A 14 -5.821 10.575 -7.163 1.00 0.00 C ATOM 179 OE1 GLN A 14 -6.570 10.128 -6.295 1.00 0.00 O ATOM 180 NE2 GLN A 14 -5.954 11.799 -7.662 1.00 0.00 N ATOM 0 H GLN A 14 -2.842 7.811 -4.763 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.451 8.326 -5.394 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.578 9.826 -5.890 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.935 8.695 -7.065 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.039 10.369 -8.328 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.094 8.971 -8.377 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.310 12.129 -8.381 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.700 12.408 -7.326 1.00 0.00 H new ATOM 189 N ASP A 15 -6.381 6.692 -6.984 1.00 0.00 N ATOM 190 CA ASP A 15 -6.974 5.744 -7.920 1.00 0.00 C ATOM 191 C ASP A 15 -6.254 4.400 -7.861 1.00 0.00 C ATOM 192 O ASP A 15 -6.064 3.741 -8.884 1.00 0.00 O ATOM 193 CB ASP A 15 -6.925 6.301 -9.343 1.00 0.00 C ATOM 194 CG ASP A 15 -7.840 7.495 -9.529 1.00 0.00 C ATOM 195 OD1 ASP A 15 -9.060 7.349 -9.305 1.00 0.00 O ATOM 196 OD2 ASP A 15 -7.337 8.577 -9.900 1.00 0.00 O ATOM 0 H ASP A 15 -7.052 7.159 -6.374 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.015 5.591 -7.634 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.902 6.591 -9.582 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.207 5.518 -10.047 1.00 0.00 H new ATOM 201 N CYS A 16 -5.856 4.001 -6.658 1.00 0.00 N ATOM 202 CA CYS A 16 -5.155 2.736 -6.466 1.00 0.00 C ATOM 203 C CYS A 16 -5.828 1.900 -5.382 1.00 0.00 C ATOM 204 O CYS A 16 -5.906 2.314 -4.225 1.00 0.00 O ATOM 205 CB CYS A 16 -3.693 2.990 -6.097 1.00 0.00 C ATOM 206 SG CYS A 16 -2.755 3.878 -7.363 1.00 0.00 S ATOM 0 H CYS A 16 -6.006 4.534 -5.802 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.194 2.182 -7.404 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.658 3.559 -5.168 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.207 2.034 -5.904 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.438 4.907 -7.767 1.00 0.00 H new ATOM 212 N ILE A 17 -6.313 0.724 -5.765 1.00 0.00 N ATOM 213 CA ILE A 17 -6.980 -0.169 -4.826 1.00 0.00 C ATOM 214 C ILE A 17 -6.001 -1.177 -4.236 1.00 0.00 C ATOM 215 O ILE A 17 -5.026 -1.564 -4.883 1.00 0.00 O ATOM 216 CB ILE A 17 -8.140 -0.928 -5.497 1.00 0.00 C ATOM 217 CG1 ILE A 17 -8.974 0.026 -6.355 1.00 0.00 C ATOM 218 CG2 ILE A 17 -9.009 -1.604 -4.447 1.00 0.00 C ATOM 219 CD1 ILE A 17 -9.678 -0.656 -7.507 1.00 0.00 C ATOM 0 H ILE A 17 -6.257 0.367 -6.719 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.380 0.455 -4.027 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.724 -1.699 -6.145 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.717 0.514 -5.724 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.326 0.809 -6.748 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.824 -2.136 -4.937 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.406 -2.310 -3.876 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.420 -0.851 -3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.250 0.081 -8.071 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.940 -1.121 -8.161 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.352 -1.420 -7.120 1.00 0.00 H new ATOM 231 N LEU A 18 -6.266 -1.602 -3.006 1.00 0.00 N ATOM 232 CA LEU A 18 -5.409 -2.568 -2.328 1.00 0.00 C ATOM 233 C LEU A 18 -6.223 -3.457 -1.394 1.00 0.00 C ATOM 234 O LEU A 18 -7.313 -3.085 -0.960 1.00 0.00 O ATOM 235 CB LEU A 18 -4.316 -1.845 -1.538 1.00 0.00 C ATOM 236 CG LEU A 18 -3.700 -0.619 -2.214 1.00 0.00 C ATOM 237 CD1 LEU A 18 -4.467 0.639 -1.838 1.00 0.00 C ATOM 238 CD2 LEU A 18 -2.232 -0.484 -1.836 1.00 0.00 C ATOM 0 H LEU A 18 -7.068 -1.293 -2.457 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.944 -3.198 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.732 -1.536 -0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.518 -2.557 -1.324 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.766 -0.751 -3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.015 1.501 -2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.504 0.542 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.433 0.777 -0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.809 0.393 -2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.143 -0.374 -0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.691 -1.374 -2.156 1.00 0.00 H new ATOM 250 N SER A 19 -5.685 -4.633 -1.087 1.00 0.00 N ATOM 251 CA SER A 19 -6.363 -5.577 -0.205 1.00 0.00 C ATOM 252 C SER A 19 -5.445 -6.012 0.933 1.00 0.00 C ATOM 253 O SER A 19 -4.237 -5.776 0.896 1.00 0.00 O ATOM 254 CB SER A 19 -6.830 -6.801 -0.995 1.00 0.00 C ATOM 255 OG SER A 19 -5.747 -7.415 -1.672 1.00 0.00 O ATOM 0 H SER A 19 -4.782 -4.955 -1.436 1.00 0.00 H new ATOM 0 HA SER A 19 -7.232 -5.077 0.223 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.294 -7.519 -0.319 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.592 -6.504 -1.716 1.00 0.00 H new ATOM 0 HG SER A 19 -5.987 -7.558 -2.611 1.00 0.00 H new ATOM 261 N PHE A 20 -6.027 -6.650 1.943 1.00 0.00 N ATOM 262 CA PHE A 20 -5.262 -7.118 3.094 1.00 0.00 C ATOM 263 C PHE A 20 -5.656 -8.545 3.463 1.00 0.00 C ATOM 264 O PHE A 20 -6.795 -8.806 3.852 1.00 0.00 O ATOM 265 CB PHE A 20 -5.481 -6.190 4.290 1.00 0.00 C ATOM 266 CG PHE A 20 -5.320 -4.734 3.958 1.00 0.00 C ATOM 267 CD1 PHE A 20 -4.059 -4.184 3.792 1.00 0.00 C ATOM 268 CD2 PHE A 20 -6.429 -3.917 3.811 1.00 0.00 C ATOM 269 CE1 PHE A 20 -3.907 -2.844 3.486 1.00 0.00 C ATOM 270 CE2 PHE A 20 -6.283 -2.577 3.504 1.00 0.00 C ATOM 271 CZ PHE A 20 -5.021 -2.040 3.342 1.00 0.00 C ATOM 0 H PHE A 20 -7.025 -6.855 1.988 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.206 -7.109 2.826 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.482 -6.355 4.689 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.776 -6.454 5.078 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.185 -4.809 3.903 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.418 -4.331 3.938 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.919 -2.427 3.360 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.155 -1.950 3.391 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.905 -0.993 3.103 1.00 0.00 H new ATOM 281 N LEU A 21 -4.706 -9.465 3.339 1.00 0.00 N ATOM 282 CA LEU A 21 -4.951 -10.867 3.659 1.00 0.00 C ATOM 283 C LEU A 21 -4.043 -11.334 4.792 1.00 0.00 C ATOM 284 O LEU A 21 -2.832 -11.119 4.759 1.00 0.00 O ATOM 285 CB LEU A 21 -4.733 -11.739 2.422 1.00 0.00 C ATOM 286 CG LEU A 21 -4.638 -13.245 2.670 1.00 0.00 C ATOM 287 CD1 LEU A 21 -6.022 -13.876 2.655 1.00 0.00 C ATOM 288 CD2 LEU A 21 -3.739 -13.902 1.633 1.00 0.00 C ATOM 0 H LEU A 21 -3.758 -9.265 3.019 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.986 -10.964 3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.551 -11.557 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.816 -11.414 1.930 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.198 -13.404 3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.935 -14.948 2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.635 -13.427 3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.489 -13.706 1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.684 -14.973 1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.149 -13.733 0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.740 -13.471 1.692 1.00 0.00 H new ATOM 300 N GLY A 22 -4.637 -11.977 5.793 1.00 0.00 N ATOM 301 CA GLY A 22 -3.866 -12.466 6.921 1.00 0.00 C ATOM 302 C GLY A 22 -4.148 -11.695 8.195 1.00 0.00 C ATOM 303 O GLY A 22 -4.282 -12.283 9.269 1.00 0.00 O ATOM 0 H GLY A 22 -5.638 -12.168 5.843 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.091 -13.520 7.081 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.804 -12.399 6.687 1.00 0.00 H new ATOM 307 N PHE A 23 -4.238 -10.374 8.078 1.00 0.00 N ATOM 308 CA PHE A 23 -4.503 -9.521 9.230 1.00 0.00 C ATOM 309 C PHE A 23 -5.868 -9.835 9.837 1.00 0.00 C ATOM 310 O PHE A 23 -6.787 -10.260 9.137 1.00 0.00 O ATOM 311 CB PHE A 23 -4.440 -8.047 8.824 1.00 0.00 C ATOM 312 CG PHE A 23 -3.210 -7.693 8.038 1.00 0.00 C ATOM 313 CD1 PHE A 23 -3.161 -7.907 6.670 1.00 0.00 C ATOM 314 CD2 PHE A 23 -2.103 -7.147 8.667 1.00 0.00 C ATOM 315 CE1 PHE A 23 -2.031 -7.583 5.944 1.00 0.00 C ATOM 316 CE2 PHE A 23 -0.970 -6.820 7.946 1.00 0.00 C ATOM 317 CZ PHE A 23 -0.934 -7.039 6.583 1.00 0.00 C ATOM 0 H PHE A 23 -4.131 -9.871 7.197 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.737 -9.718 9.980 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.322 -7.804 8.232 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.478 -7.429 9.721 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.016 -8.332 6.165 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.126 -6.975 9.733 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.006 -7.755 4.878 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.114 -6.394 8.448 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.049 -6.785 6.018 1.00 0.00 H new ATOM 327 N SER A 24 -5.990 -9.624 11.143 1.00 0.00 N ATOM 328 CA SER A 24 -7.240 -9.888 11.846 1.00 0.00 C ATOM 329 C SER A 24 -8.278 -8.815 11.532 1.00 0.00 C ATOM 330 O SER A 24 -7.952 -7.632 11.427 1.00 0.00 O ATOM 331 CB SER A 24 -6.997 -9.953 13.355 1.00 0.00 C ATOM 332 OG SER A 24 -6.352 -8.779 13.818 1.00 0.00 O ATOM 0 H SER A 24 -5.239 -9.271 11.736 1.00 0.00 H new ATOM 0 HA SER A 24 -7.623 -10.850 11.505 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.947 -10.079 13.875 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.386 -10.825 13.591 1.00 0.00 H new ATOM 0 HG SER A 24 -6.209 -8.844 14.785 1.00 0.00 H new ATOM 338 N ASP A 25 -9.529 -9.236 11.383 1.00 0.00 N ATOM 339 CA ASP A 25 -10.616 -8.313 11.082 1.00 0.00 C ATOM 340 C ASP A 25 -10.384 -6.963 11.753 1.00 0.00 C ATOM 341 O ASP A 25 -10.698 -5.916 11.188 1.00 0.00 O ATOM 342 CB ASP A 25 -11.953 -8.899 11.537 1.00 0.00 C ATOM 343 CG ASP A 25 -12.590 -9.779 10.479 1.00 0.00 C ATOM 344 OD1 ASP A 25 -11.937 -10.752 10.045 1.00 0.00 O ATOM 345 OD2 ASP A 25 -13.740 -9.496 10.086 1.00 0.00 O ATOM 0 H ASP A 25 -9.815 -10.211 11.466 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.643 -8.163 10.003 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.801 -9.481 12.446 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.635 -8.087 11.789 1.00 0.00 H new ATOM 350 N GLU A 26 -9.833 -6.996 12.963 1.00 0.00 N ATOM 351 CA GLU A 26 -9.561 -5.774 13.711 1.00 0.00 C ATOM 352 C GLU A 26 -8.472 -4.950 13.030 1.00 0.00 C ATOM 353 O GLU A 26 -8.686 -3.789 12.681 1.00 0.00 O ATOM 354 CB GLU A 26 -9.141 -6.110 15.143 1.00 0.00 C ATOM 355 CG GLU A 26 -10.310 -6.410 16.066 1.00 0.00 C ATOM 356 CD GLU A 26 -10.974 -7.738 15.755 1.00 0.00 C ATOM 357 OE1 GLU A 26 -10.253 -8.691 15.392 1.00 0.00 O ATOM 358 OE2 GLU A 26 -12.214 -7.823 15.874 1.00 0.00 O ATOM 0 H GLU A 26 -9.567 -7.854 13.445 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.476 -5.183 13.737 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.474 -6.972 15.124 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.572 -5.275 15.551 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.961 -6.416 17.098 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.047 -5.611 15.984 1.00 0.00 H new ATOM 365 N GLU A 27 -7.305 -5.559 12.845 1.00 0.00 N ATOM 366 CA GLU A 27 -6.183 -4.881 12.208 1.00 0.00 C ATOM 367 C GLU A 27 -6.543 -4.448 10.790 1.00 0.00 C ATOM 368 O GLU A 27 -6.127 -3.385 10.328 1.00 0.00 O ATOM 369 CB GLU A 27 -4.956 -5.796 12.177 1.00 0.00 C ATOM 370 CG GLU A 27 -4.298 -5.976 13.535 1.00 0.00 C ATOM 371 CD GLU A 27 -3.752 -4.678 14.096 1.00 0.00 C ATOM 372 OE1 GLU A 27 -4.531 -3.928 14.721 1.00 0.00 O ATOM 373 OE2 GLU A 27 -2.547 -4.411 13.910 1.00 0.00 O ATOM 0 H GLU A 27 -7.112 -6.520 13.127 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.950 -3.992 12.793 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.251 -6.773 11.793 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.225 -5.387 11.480 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.024 -6.392 14.234 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.487 -6.699 13.449 1.00 0.00 H new ATOM 380 N LYS A 28 -7.320 -5.279 10.103 1.00 0.00 N ATOM 381 CA LYS A 28 -7.739 -4.984 8.738 1.00 0.00 C ATOM 382 C LYS A 28 -8.513 -3.671 8.678 1.00 0.00 C ATOM 383 O LYS A 28 -8.128 -2.779 7.923 1.00 0.00 O ATOM 384 CB LYS A 28 -8.602 -6.123 8.190 1.00 0.00 C ATOM 385 CG LYS A 28 -8.502 -6.290 6.683 1.00 0.00 C ATOM 386 CD LYS A 28 -9.509 -7.305 6.167 1.00 0.00 C ATOM 387 CE LYS A 28 -10.834 -6.647 5.817 1.00 0.00 C ATOM 388 NZ LYS A 28 -11.843 -7.641 5.359 1.00 0.00 N ATOM 0 H LYS A 28 -7.672 -6.163 10.470 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.844 -4.886 8.123 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.307 -7.055 8.671 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.643 -5.941 8.459 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.671 -5.329 6.197 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.494 -6.608 6.417 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.105 -7.804 5.286 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.672 -8.074 6.922 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.217 -6.116 6.688 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.675 -5.904 5.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.732 -7.153 5.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.489 -8.130 4.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.014 -8.335 6.114 1.00 0.00 H new ATOM 402 N HIS A 29 -9.575 -3.581 9.466 1.00 0.00 N ATOM 403 CA HIS A 29 -10.387 -2.376 9.493 1.00 0.00 C ATOM 404 C HIS A 29 -9.487 -1.148 9.345 1.00 0.00 C ATOM 405 O HIS A 29 -9.555 -0.403 8.367 1.00 0.00 O ATOM 406 CB HIS A 29 -11.250 -2.331 10.755 1.00 0.00 C ATOM 407 CG HIS A 29 -12.219 -1.174 10.795 1.00 0.00 C ATOM 408 ND1 HIS A 29 -13.590 -1.347 10.867 1.00 0.00 N ATOM 409 CD2 HIS A 29 -12.001 0.173 10.773 1.00 0.00 C ATOM 410 CE1 HIS A 29 -14.162 -0.152 10.886 1.00 0.00 C ATOM 411 NE2 HIS A 29 -13.176 0.789 10.827 1.00 0.00 N ATOM 0 H HIS A 29 -9.892 -4.323 10.090 1.00 0.00 H new ATOM 0 HA HIS A 29 -11.079 -2.380 8.651 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -11.810 -3.263 10.834 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.598 -2.276 11.627 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -11.036 0.656 10.721 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -15.223 0.043 10.939 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.318 1.799 10.825 1.00 0.00 H new ATOM 419 N SER A 30 -8.636 -0.951 10.347 1.00 0.00 N ATOM 420 CA SER A 30 -7.714 0.179 10.356 1.00 0.00 C ATOM 421 C SER A 30 -7.078 0.372 8.983 1.00 0.00 C ATOM 422 O SER A 30 -6.963 1.495 8.493 1.00 0.00 O ATOM 423 CB SER A 30 -6.626 -0.032 11.410 1.00 0.00 C ATOM 424 OG SER A 30 -6.109 1.207 11.865 1.00 0.00 O ATOM 0 H SER A 30 -8.566 -1.559 11.163 1.00 0.00 H new ATOM 0 HA SER A 30 -8.280 1.077 10.604 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.035 -0.590 12.252 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.820 -0.634 10.990 1.00 0.00 H new ATOM 0 HG SER A 30 -6.810 1.891 11.818 1.00 0.00 H new ATOM 430 N MET A 31 -6.667 -0.732 8.368 1.00 0.00 N ATOM 431 CA MET A 31 -6.043 -0.685 7.050 1.00 0.00 C ATOM 432 C MET A 31 -7.036 -0.210 5.995 1.00 0.00 C ATOM 433 O MET A 31 -6.657 0.435 5.018 1.00 0.00 O ATOM 434 CB MET A 31 -5.497 -2.063 6.671 1.00 0.00 C ATOM 435 CG MET A 31 -4.477 -2.605 7.658 1.00 0.00 C ATOM 436 SD MET A 31 -4.012 -4.312 7.310 1.00 0.00 S ATOM 437 CE MET A 31 -2.371 -4.083 6.629 1.00 0.00 C ATOM 0 H MET A 31 -6.754 -1.669 8.760 1.00 0.00 H new ATOM 0 HA MET A 31 -5.217 0.025 7.092 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.327 -2.766 6.596 1.00 0.00 H new ATOM 0 HB3 MET A 31 -5.039 -2.004 5.684 1.00 0.00 H new ATOM 0 HG2 MET A 31 -3.586 -1.978 7.635 1.00 0.00 H new ATOM 0 HG3 MET A 31 -4.885 -2.542 8.667 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.202 -4.810 5.834 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.283 -3.075 6.224 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.628 -4.225 7.414 1.00 0.00 H new ATOM 447 N GLU A 32 -8.309 -0.535 6.198 1.00 0.00 N ATOM 448 CA GLU A 32 -9.356 -0.142 5.262 1.00 0.00 C ATOM 449 C GLU A 32 -9.706 1.335 5.426 1.00 0.00 C ATOM 450 O GLU A 32 -9.779 2.077 4.447 1.00 0.00 O ATOM 451 CB GLU A 32 -10.606 -0.999 5.471 1.00 0.00 C ATOM 452 CG GLU A 32 -10.453 -2.428 4.977 1.00 0.00 C ATOM 453 CD GLU A 32 -11.738 -3.226 5.091 1.00 0.00 C ATOM 454 OE1 GLU A 32 -12.295 -3.295 6.207 1.00 0.00 O ATOM 455 OE2 GLU A 32 -12.186 -3.780 4.066 1.00 0.00 O ATOM 0 H GLU A 32 -8.640 -1.069 7.002 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.981 -0.299 4.251 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.852 -1.015 6.533 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.446 -0.533 4.956 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.128 -2.416 3.937 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.670 -2.924 5.550 1.00 0.00 H new ATOM 462 N GLU A 33 -9.922 1.752 6.670 1.00 0.00 N ATOM 463 CA GLU A 33 -10.266 3.138 6.961 1.00 0.00 C ATOM 464 C GLU A 33 -9.128 4.075 6.566 1.00 0.00 C ATOM 465 O GLU A 33 -9.359 5.153 6.018 1.00 0.00 O ATOM 466 CB GLU A 33 -10.586 3.306 8.448 1.00 0.00 C ATOM 467 CG GLU A 33 -9.572 2.646 9.367 1.00 0.00 C ATOM 468 CD GLU A 33 -9.699 3.111 10.805 1.00 0.00 C ATOM 469 OE1 GLU A 33 -10.841 3.332 11.259 1.00 0.00 O ATOM 470 OE2 GLU A 33 -8.655 3.254 11.476 1.00 0.00 O ATOM 0 H GLU A 33 -9.865 1.150 7.491 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.148 3.397 6.375 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.638 4.369 8.682 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -11.572 2.887 8.648 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.700 1.564 9.326 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.566 2.862 9.007 1.00 0.00 H new ATOM 477 N MET A 34 -7.899 3.656 6.849 1.00 0.00 N ATOM 478 CA MET A 34 -6.725 4.457 6.522 1.00 0.00 C ATOM 479 C MET A 34 -6.633 4.701 5.019 1.00 0.00 C ATOM 480 O MET A 34 -6.573 5.844 4.567 1.00 0.00 O ATOM 481 CB MET A 34 -5.454 3.764 7.017 1.00 0.00 C ATOM 482 CG MET A 34 -4.222 4.653 6.980 1.00 0.00 C ATOM 483 SD MET A 34 -3.985 5.576 8.511 1.00 0.00 S ATOM 484 CE MET A 34 -3.380 4.284 9.594 1.00 0.00 C ATOM 0 H MET A 34 -7.690 2.767 7.304 1.00 0.00 H new ATOM 0 HA MET A 34 -6.823 5.420 7.022 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.613 3.420 8.039 1.00 0.00 H new ATOM 0 HB3 MET A 34 -5.272 2.879 6.407 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.341 4.039 6.790 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.308 5.352 6.148 1.00 0.00 H new ATOM 0 HE1 MET A 34 -2.923 4.733 10.476 1.00 0.00 H new ATOM 0 HE2 MET A 34 -4.210 3.647 9.900 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.638 3.685 9.066 1.00 0.00 H new ATOM 494 N THR A 35 -6.622 3.617 4.248 1.00 0.00 N ATOM 495 CA THR A 35 -6.536 3.713 2.797 1.00 0.00 C ATOM 496 C THR A 35 -7.409 4.846 2.268 1.00 0.00 C ATOM 497 O THR A 35 -6.988 5.613 1.403 1.00 0.00 O ATOM 498 CB THR A 35 -6.959 2.395 2.121 1.00 0.00 C ATOM 499 OG1 THR A 35 -6.249 1.296 2.702 1.00 0.00 O ATOM 500 CG2 THR A 35 -6.691 2.445 0.624 1.00 0.00 C ATOM 0 H THR A 35 -6.672 2.663 4.605 1.00 0.00 H new ATOM 0 HA THR A 35 -5.493 3.918 2.555 1.00 0.00 H new ATOM 0 HB THR A 35 -8.029 2.259 2.278 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.669 1.048 3.552 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.997 1.504 0.168 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.257 3.264 0.180 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.627 2.603 0.450 1.00 0.00 H new ATOM 508 N GLU A 36 -8.626 4.944 2.794 1.00 0.00 N ATOM 509 CA GLU A 36 -9.558 5.984 2.373 1.00 0.00 C ATOM 510 C GLU A 36 -9.059 7.363 2.793 1.00 0.00 C ATOM 511 O GLU A 36 -9.062 8.304 2.000 1.00 0.00 O ATOM 512 CB GLU A 36 -10.944 5.728 2.967 1.00 0.00 C ATOM 513 CG GLU A 36 -11.832 4.862 2.089 1.00 0.00 C ATOM 514 CD GLU A 36 -13.239 4.724 2.639 1.00 0.00 C ATOM 515 OE1 GLU A 36 -13.391 4.692 3.878 1.00 0.00 O ATOM 516 OE2 GLU A 36 -14.187 4.647 1.830 1.00 0.00 O ATOM 0 H GLU A 36 -8.989 4.317 3.512 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.626 5.957 1.285 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.830 5.249 3.939 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.439 6.684 3.139 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.877 5.292 1.088 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.386 3.873 1.991 1.00 0.00 H new ATOM 523 N MET A 37 -8.632 7.475 4.047 1.00 0.00 N ATOM 524 CA MET A 37 -8.129 8.739 4.572 1.00 0.00 C ATOM 525 C MET A 37 -6.940 9.233 3.755 1.00 0.00 C ATOM 526 O MET A 37 -6.858 10.413 3.415 1.00 0.00 O ATOM 527 CB MET A 37 -7.725 8.581 6.039 1.00 0.00 C ATOM 528 CG MET A 37 -8.894 8.683 7.006 1.00 0.00 C ATOM 529 SD MET A 37 -8.368 9.020 8.698 1.00 0.00 S ATOM 530 CE MET A 37 -8.250 7.357 9.353 1.00 0.00 C ATOM 0 H MET A 37 -8.624 6.706 4.718 1.00 0.00 H new ATOM 0 HA MET A 37 -8.928 9.477 4.500 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.238 7.615 6.171 1.00 0.00 H new ATOM 0 HB3 MET A 37 -6.989 9.346 6.289 1.00 0.00 H new ATOM 0 HG2 MET A 37 -9.567 9.474 6.674 1.00 0.00 H new ATOM 0 HG3 MET A 37 -9.461 7.752 6.984 1.00 0.00 H new ATOM 0 HE1 MET A 37 -7.934 7.398 10.395 1.00 0.00 H new ATOM 0 HE2 MET A 37 -9.223 6.870 9.288 1.00 0.00 H new ATOM 0 HE3 MET A 37 -7.521 6.789 8.775 1.00 0.00 H new ATOM 540 N GLN A 38 -6.022 8.324 3.445 1.00 0.00 N ATOM 541 CA GLN A 38 -4.837 8.669 2.669 1.00 0.00 C ATOM 542 C GLN A 38 -5.222 9.169 1.281 1.00 0.00 C ATOM 543 O GLN A 38 -4.768 10.225 0.842 1.00 0.00 O ATOM 544 CB GLN A 38 -3.909 7.459 2.549 1.00 0.00 C ATOM 545 CG GLN A 38 -3.352 6.985 3.882 1.00 0.00 C ATOM 546 CD GLN A 38 -2.833 8.125 4.736 1.00 0.00 C ATOM 547 OE1 GLN A 38 -2.276 9.096 4.224 1.00 0.00 O ATOM 548 NE2 GLN A 38 -3.015 8.012 6.047 1.00 0.00 N ATOM 0 H GLN A 38 -6.076 7.343 3.719 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.312 9.469 3.191 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.453 6.639 2.080 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.080 7.711 1.887 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.131 6.452 4.428 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.545 6.274 3.702 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.482 7.189 6.428 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.688 8.748 6.673 1.00 0.00 H new ATOM 557 N GLY A 39 -6.062 8.402 0.593 1.00 0.00 N ATOM 558 CA GLY A 39 -6.494 8.784 -0.739 1.00 0.00 C ATOM 559 C GLY A 39 -6.592 7.598 -1.678 1.00 0.00 C ATOM 560 O GLY A 39 -6.132 7.660 -2.818 1.00 0.00 O ATOM 0 H GLY A 39 -6.451 7.523 0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.465 9.275 -0.676 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.795 9.512 -1.150 1.00 0.00 H new ATOM 564 N GLY A 40 -7.193 6.513 -1.199 1.00 0.00 N ATOM 565 CA GLY A 40 -7.338 5.323 -2.017 1.00 0.00 C ATOM 566 C GLY A 40 -8.577 4.525 -1.664 1.00 0.00 C ATOM 567 O GLY A 40 -9.446 5.003 -0.936 1.00 0.00 O ATOM 0 H GLY A 40 -7.582 6.437 -0.259 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.382 5.611 -3.067 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.457 4.693 -1.896 1.00 0.00 H new ATOM 571 N SER A 41 -8.660 3.304 -2.184 1.00 0.00 N ATOM 572 CA SER A 41 -9.806 2.439 -1.924 1.00 0.00 C ATOM 573 C SER A 41 -9.351 1.067 -1.437 1.00 0.00 C ATOM 574 O SER A 41 -8.154 0.801 -1.324 1.00 0.00 O ATOM 575 CB SER A 41 -10.655 2.289 -3.188 1.00 0.00 C ATOM 576 OG SER A 41 -11.986 1.924 -2.867 1.00 0.00 O ATOM 0 H SER A 41 -7.948 2.892 -2.787 1.00 0.00 H new ATOM 0 HA SER A 41 -10.409 2.901 -1.142 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.655 3.227 -3.743 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.214 1.534 -3.839 1.00 0.00 H new ATOM 0 HG SER A 41 -12.509 1.836 -3.691 1.00 0.00 H new ATOM 582 N TYR A 42 -10.314 0.198 -1.151 1.00 0.00 N ATOM 583 CA TYR A 42 -10.014 -1.147 -0.674 1.00 0.00 C ATOM 584 C TYR A 42 -11.091 -2.134 -1.114 1.00 0.00 C ATOM 585 O TYR A 42 -12.283 -1.905 -0.903 1.00 0.00 O ATOM 586 CB TYR A 42 -9.891 -1.154 0.850 1.00 0.00 C ATOM 587 CG TYR A 42 -11.091 -0.564 1.557 1.00 0.00 C ATOM 588 CD1 TYR A 42 -12.250 -1.309 1.740 1.00 0.00 C ATOM 589 CD2 TYR A 42 -11.065 0.737 2.043 1.00 0.00 C ATOM 590 CE1 TYR A 42 -13.348 -0.774 2.384 1.00 0.00 C ATOM 591 CE2 TYR A 42 -12.158 1.280 2.690 1.00 0.00 C ATOM 592 CZ TYR A 42 -13.298 0.521 2.858 1.00 0.00 C ATOM 593 OH TYR A 42 -14.389 1.057 3.502 1.00 0.00 O ATOM 0 H TYR A 42 -11.310 0.401 -1.241 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.064 -1.457 -1.110 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -9.748 -2.180 1.190 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -9.000 -0.596 1.137 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -12.292 -2.324 1.372 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -10.175 1.334 1.913 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -14.242 -1.366 2.516 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -12.120 2.293 3.062 1.00 0.00 H new ATOM 0 HH TYR A 42 -14.189 1.977 3.774 1.00 0.00 H new ATOM 603 N LEU A 43 -10.663 -3.232 -1.726 1.00 0.00 N ATOM 604 CA LEU A 43 -11.590 -4.257 -2.196 1.00 0.00 C ATOM 605 C LEU A 43 -11.303 -5.598 -1.528 1.00 0.00 C ATOM 606 O LEU A 43 -10.208 -5.846 -1.023 1.00 0.00 O ATOM 607 CB LEU A 43 -11.494 -4.400 -3.715 1.00 0.00 C ATOM 608 CG LEU A 43 -12.366 -3.448 -4.535 1.00 0.00 C ATOM 609 CD1 LEU A 43 -11.957 -3.477 -6.000 1.00 0.00 C ATOM 610 CD2 LEU A 43 -13.837 -3.807 -4.383 1.00 0.00 C ATOM 0 H LEU A 43 -9.681 -3.436 -1.909 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.601 -3.948 -1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.455 -4.253 -4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.759 -5.423 -3.981 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.219 -2.436 -4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.588 -2.794 -6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.915 -3.170 -6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.074 -4.488 -6.390 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.442 -3.119 -4.973 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.001 -4.826 -4.733 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.123 -3.733 -3.334 1.00 0.00 H new ATOM 622 N PRO A 44 -12.308 -6.485 -1.526 1.00 0.00 N ATOM 623 CA PRO A 44 -12.187 -7.818 -0.927 1.00 0.00 C ATOM 624 C PRO A 44 -11.255 -8.727 -1.719 1.00 0.00 C ATOM 625 O PRO A 44 -11.356 -8.823 -2.942 1.00 0.00 O ATOM 626 CB PRO A 44 -13.620 -8.355 -0.965 1.00 0.00 C ATOM 627 CG PRO A 44 -14.269 -7.623 -2.088 1.00 0.00 C ATOM 628 CD PRO A 44 -13.641 -6.257 -2.110 1.00 0.00 C ATOM 0 HA PRO A 44 -11.759 -7.778 0.075 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.635 -9.432 -1.133 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -14.136 -8.172 -0.023 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.111 -8.140 -3.034 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.347 -7.555 -1.938 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.573 -5.862 -3.124 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.218 -5.540 -1.526 1.00 0.00 H new ATOM 636 N VAL A 45 -10.347 -9.395 -1.014 1.00 0.00 N ATOM 637 CA VAL A 45 -9.397 -10.299 -1.652 1.00 0.00 C ATOM 638 C VAL A 45 -10.077 -11.142 -2.725 1.00 0.00 C ATOM 639 O VAL A 45 -11.173 -11.661 -2.520 1.00 0.00 O ATOM 640 CB VAL A 45 -8.735 -11.234 -0.623 1.00 0.00 C ATOM 641 CG1 VAL A 45 -7.814 -12.226 -1.318 1.00 0.00 C ATOM 642 CG2 VAL A 45 -7.974 -10.427 0.418 1.00 0.00 C ATOM 0 H VAL A 45 -10.249 -9.327 -0.001 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.630 -9.678 -2.114 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.517 -11.796 -0.113 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.355 -12.878 -0.575 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.391 -12.826 -2.022 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.036 -11.685 -1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.513 -11.104 1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.200 -9.837 -0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.663 -9.761 0.937 1.00 0.00 H new ATOM 652 N GLY A 46 -9.417 -11.275 -3.872 1.00 0.00 N ATOM 653 CA GLY A 46 -9.973 -12.057 -4.961 1.00 0.00 C ATOM 654 C GLY A 46 -10.426 -11.194 -6.122 1.00 0.00 C ATOM 655 O GLY A 46 -10.226 -11.549 -7.284 1.00 0.00 O ATOM 0 H GLY A 46 -8.508 -10.855 -4.066 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.226 -12.769 -5.311 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.819 -12.638 -4.592 1.00 0.00 H new ATOM 659 N ASP A 47 -11.039 -10.058 -5.809 1.00 0.00 N ATOM 660 CA ASP A 47 -11.522 -9.141 -6.835 1.00 0.00 C ATOM 661 C ASP A 47 -10.378 -8.675 -7.730 1.00 0.00 C ATOM 662 O ASP A 47 -9.419 -8.065 -7.260 1.00 0.00 O ATOM 663 CB ASP A 47 -12.206 -7.934 -6.190 1.00 0.00 C ATOM 664 CG ASP A 47 -13.301 -7.354 -7.064 1.00 0.00 C ATOM 665 OD1 ASP A 47 -14.459 -7.807 -6.943 1.00 0.00 O ATOM 666 OD2 ASP A 47 -13.000 -6.447 -7.867 1.00 0.00 O ATOM 0 H ASP A 47 -11.213 -9.750 -4.852 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.247 -9.673 -7.451 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.630 -8.230 -5.230 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.462 -7.164 -5.986 1.00 0.00 H new ATOM 671 N GLU A 48 -10.487 -8.969 -9.022 1.00 0.00 N ATOM 672 CA GLU A 48 -9.460 -8.582 -9.982 1.00 0.00 C ATOM 673 C GLU A 48 -9.266 -7.068 -9.990 1.00 0.00 C ATOM 674 O GLU A 48 -8.137 -6.577 -9.998 1.00 0.00 O ATOM 675 CB GLU A 48 -9.833 -9.066 -11.385 1.00 0.00 C ATOM 676 CG GLU A 48 -11.153 -8.510 -11.890 1.00 0.00 C ATOM 677 CD GLU A 48 -11.430 -8.884 -13.333 1.00 0.00 C ATOM 678 OE1 GLU A 48 -10.458 -9.113 -14.083 1.00 0.00 O ATOM 679 OE2 GLU A 48 -12.618 -8.946 -13.713 1.00 0.00 O ATOM 0 H GLU A 48 -11.275 -9.473 -9.428 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.523 -9.050 -9.681 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.041 -8.786 -12.079 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.884 -10.155 -11.383 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.963 -8.879 -11.261 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.146 -7.424 -11.795 1.00 0.00 H new ATOM 686 N ARG A 49 -10.374 -6.335 -9.988 1.00 0.00 N ATOM 687 CA ARG A 49 -10.327 -4.878 -9.996 1.00 0.00 C ATOM 688 C ARG A 49 -9.148 -4.368 -9.173 1.00 0.00 C ATOM 689 O ARG A 49 -8.475 -3.411 -9.560 1.00 0.00 O ATOM 690 CB ARG A 49 -11.633 -4.301 -9.448 1.00 0.00 C ATOM 691 CG ARG A 49 -12.847 -4.622 -10.304 1.00 0.00 C ATOM 692 CD ARG A 49 -13.942 -3.581 -10.131 1.00 0.00 C ATOM 693 NE ARG A 49 -15.200 -4.002 -10.743 1.00 0.00 N ATOM 694 CZ ARG A 49 -16.238 -3.192 -10.920 1.00 0.00 C ATOM 695 NH1 ARG A 49 -16.168 -1.925 -10.536 1.00 0.00 N ATOM 696 NH2 ARG A 49 -17.348 -3.649 -11.485 1.00 0.00 N ATOM 0 H ARG A 49 -11.316 -6.726 -9.981 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.198 -4.549 -11.027 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.797 -4.686 -8.442 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.535 -3.219 -9.363 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.552 -4.670 -11.352 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.233 -5.605 -10.036 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.100 -3.395 -9.069 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.620 -2.639 -10.575 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.286 -4.971 -11.051 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.315 -1.570 -10.103 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.967 -1.306 -10.673 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.405 -4.623 -11.784 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.145 -3.027 -11.621 1.00 0.00 H new ATOM 710 N CYS A 50 -8.904 -5.011 -8.037 1.00 0.00 N ATOM 711 CA CYS A 50 -7.807 -4.622 -7.158 1.00 0.00 C ATOM 712 C CYS A 50 -6.509 -4.466 -7.944 1.00 0.00 C ATOM 713 O CYS A 50 -6.153 -5.323 -8.753 1.00 0.00 O ATOM 714 CB CYS A 50 -7.623 -5.658 -6.048 1.00 0.00 C ATOM 715 SG CYS A 50 -9.156 -6.119 -5.207 1.00 0.00 S ATOM 0 H CYS A 50 -9.451 -5.804 -7.703 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.057 -3.660 -6.710 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -7.171 -6.554 -6.473 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -6.921 -5.265 -5.312 1.00 0.00 H new ATOM 0 HG CYS A 50 -9.570 -7.266 -5.657 1.00 0.00 H new ATOM 721 N THR A 51 -5.806 -3.364 -7.702 1.00 0.00 N ATOM 722 CA THR A 51 -4.549 -3.093 -8.389 1.00 0.00 C ATOM 723 C THR A 51 -3.360 -3.595 -7.578 1.00 0.00 C ATOM 724 O THR A 51 -2.421 -4.137 -8.160 1.00 0.00 O ATOM 725 CB THR A 51 -4.372 -1.587 -8.662 1.00 0.00 C ATOM 726 OG1 THR A 51 -4.376 -0.862 -7.428 1.00 0.00 O ATOM 727 CG2 THR A 51 -5.479 -1.067 -9.566 1.00 0.00 C ATOM 0 H THR A 51 -6.086 -2.645 -7.035 1.00 0.00 H new ATOM 0 HA THR A 51 -4.587 -3.625 -9.340 1.00 0.00 H new ATOM 0 HB THR A 51 -3.416 -1.441 -9.165 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.454 -0.653 -7.168 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.333 -0.002 -9.744 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.454 -1.601 -10.516 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.445 -1.225 -9.086 1.00 0.00 H new ATOM 735 N HIS A 52 -3.423 -3.406 -6.268 1.00 0.00 N ATOM 736 CA HIS A 52 -2.347 -3.845 -5.396 1.00 0.00 C ATOM 737 C HIS A 52 -2.880 -4.881 -4.405 1.00 0.00 C ATOM 738 O HIS A 52 -4.082 -4.994 -4.159 1.00 0.00 O ATOM 739 CB HIS A 52 -1.686 -2.650 -4.707 1.00 0.00 C ATOM 740 CG HIS A 52 -1.093 -1.641 -5.661 1.00 0.00 C ATOM 741 ND1 HIS A 52 -1.828 -1.037 -6.666 1.00 0.00 N ATOM 742 CD2 HIS A 52 0.171 -1.137 -5.753 1.00 0.00 C ATOM 743 CE1 HIS A 52 -1.032 -0.209 -7.327 1.00 0.00 C ATOM 744 NE2 HIS A 52 0.206 -0.273 -6.760 1.00 0.00 N ATOM 0 H HIS A 52 -4.203 -2.955 -5.789 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.568 -4.327 -5.987 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.425 -2.151 -4.080 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.900 -3.014 -4.045 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.003 -1.397 -5.115 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.314 0.408 -8.167 1.00 0.00 H new ATOM 0 HE2 HIS A 52 1.025 0.256 -7.060 1.00 0.00 H new ATOM 752 N LEU A 53 -1.952 -5.642 -3.836 1.00 0.00 N ATOM 753 CA LEU A 53 -2.299 -6.677 -2.868 1.00 0.00 C ATOM 754 C LEU A 53 -1.283 -6.722 -1.731 1.00 0.00 C ATOM 755 O LEU A 53 -0.092 -6.938 -1.958 1.00 0.00 O ATOM 756 CB LEU A 53 -2.373 -8.042 -3.555 1.00 0.00 C ATOM 757 CG LEU A 53 -2.451 -9.256 -2.629 1.00 0.00 C ATOM 758 CD1 LEU A 53 -3.654 -9.146 -1.704 1.00 0.00 C ATOM 759 CD2 LEU A 53 -2.516 -10.542 -3.440 1.00 0.00 C ATOM 0 H LEU A 53 -0.953 -5.562 -4.028 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.276 -6.435 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.246 -8.051 -4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.497 -8.153 -4.194 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.549 -9.281 -2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.693 -10.019 -1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.566 -8.244 -1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.566 -9.096 -2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.571 -11.396 -2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.400 -10.526 -4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.623 -10.627 -4.060 1.00 0.00 H new ATOM 771 N ILE A 54 -1.761 -6.519 -0.508 1.00 0.00 N ATOM 772 CA ILE A 54 -0.895 -6.540 0.664 1.00 0.00 C ATOM 773 C ILE A 54 -1.191 -7.749 1.545 1.00 0.00 C ATOM 774 O ILE A 54 -2.193 -7.780 2.260 1.00 0.00 O ATOM 775 CB ILE A 54 -1.051 -5.258 1.502 1.00 0.00 C ATOM 776 CG1 ILE A 54 -0.556 -4.043 0.714 1.00 0.00 C ATOM 777 CG2 ILE A 54 -0.295 -5.388 2.816 1.00 0.00 C ATOM 778 CD1 ILE A 54 -1.591 -3.471 -0.228 1.00 0.00 C ATOM 0 H ILE A 54 -2.744 -6.338 -0.303 1.00 0.00 H new ATOM 0 HA ILE A 54 0.130 -6.603 0.298 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.108 -5.115 1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.246 -3.268 1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.327 -4.327 0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.415 -4.474 3.397 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.691 -6.232 3.381 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.763 -5.552 2.612 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.171 -2.613 -0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.884 -4.231 -0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.466 -3.156 0.341 1.00 0.00 H new ATOM 790 N VAL A 55 -0.311 -8.744 1.490 1.00 0.00 N ATOM 791 CA VAL A 55 -0.476 -9.955 2.284 1.00 0.00 C ATOM 792 C VAL A 55 0.523 -9.998 3.435 1.00 0.00 C ATOM 793 O VAL A 55 1.669 -9.575 3.289 1.00 0.00 O ATOM 794 CB VAL A 55 -0.305 -11.220 1.422 1.00 0.00 C ATOM 795 CG1 VAL A 55 1.019 -11.181 0.674 1.00 0.00 C ATOM 796 CG2 VAL A 55 -0.402 -12.469 2.285 1.00 0.00 C ATOM 0 H VAL A 55 0.524 -8.735 0.904 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.489 -9.934 2.686 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.110 -11.250 0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.123 -12.083 0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.045 -10.305 0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.840 -11.127 1.389 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.279 -13.354 1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.381 -12.449 3.043 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.377 -12.501 2.771 1.00 0.00 H new ATOM 806 N GLU A 56 0.080 -10.512 4.578 1.00 0.00 N ATOM 807 CA GLU A 56 0.937 -10.609 5.754 1.00 0.00 C ATOM 808 C GLU A 56 1.970 -11.719 5.583 1.00 0.00 C ATOM 809 O GLU A 56 1.705 -12.881 5.891 1.00 0.00 O ATOM 810 CB GLU A 56 0.096 -10.869 7.005 1.00 0.00 C ATOM 811 CG GLU A 56 0.823 -10.559 8.303 1.00 0.00 C ATOM 812 CD GLU A 56 0.898 -9.071 8.588 1.00 0.00 C ATOM 813 OE1 GLU A 56 1.513 -8.343 7.782 1.00 0.00 O ATOM 814 OE2 GLU A 56 0.341 -8.636 9.618 1.00 0.00 O ATOM 0 H GLU A 56 -0.866 -10.867 4.715 1.00 0.00 H new ATOM 0 HA GLU A 56 1.462 -9.661 5.869 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.811 -10.267 6.954 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.215 -11.914 7.013 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.315 -11.058 9.128 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.832 -10.968 8.256 1.00 0.00 H new ATOM 821 N GLU A 57 3.149 -11.351 5.091 1.00 0.00 N ATOM 822 CA GLU A 57 4.222 -12.316 4.878 1.00 0.00 C ATOM 823 C GLU A 57 4.809 -12.779 6.208 1.00 0.00 C ATOM 824 O GLU A 57 5.431 -13.837 6.289 1.00 0.00 O ATOM 825 CB GLU A 57 5.322 -11.705 4.008 1.00 0.00 C ATOM 826 CG GLU A 57 6.211 -10.722 4.751 1.00 0.00 C ATOM 827 CD GLU A 57 7.146 -11.407 5.730 1.00 0.00 C ATOM 828 OE1 GLU A 57 7.866 -12.337 5.311 1.00 0.00 O ATOM 829 OE2 GLU A 57 7.158 -11.011 6.914 1.00 0.00 O ATOM 0 H GLU A 57 3.385 -10.393 4.833 1.00 0.00 H new ATOM 0 HA GLU A 57 3.801 -13.181 4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.940 -12.506 3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.863 -11.197 3.160 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.798 -10.153 4.031 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.587 -10.008 5.289 1.00 0.00 H new ATOM 836 N ASN A 58 4.606 -11.977 7.249 1.00 0.00 N ATOM 837 CA ASN A 58 5.115 -12.304 8.576 1.00 0.00 C ATOM 838 C ASN A 58 4.466 -13.577 9.110 1.00 0.00 C ATOM 839 O ASN A 58 5.036 -14.273 9.951 1.00 0.00 O ATOM 840 CB ASN A 58 4.862 -11.144 9.542 1.00 0.00 C ATOM 841 CG ASN A 58 3.533 -11.270 10.260 1.00 0.00 C ATOM 842 OD1 ASN A 58 2.701 -10.241 10.151 1.00 0.00 O flip ATOM 843 ND2 ASN A 58 3.257 -12.282 10.906 1.00 0.00 N flip ATOM 0 H ASN A 58 4.093 -11.097 7.199 1.00 0.00 H new ATOM 0 HA ASN A 58 6.189 -12.473 8.495 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.666 -11.104 10.276 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.887 -10.204 8.991 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.927 -13.049 10.963 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.359 -12.353 11.384 1.00 0.00 H new ATOM 850 N THR A 59 3.268 -13.876 8.616 1.00 0.00 N ATOM 851 CA THR A 59 2.540 -15.064 9.044 1.00 0.00 C ATOM 852 C THR A 59 2.097 -15.897 7.847 1.00 0.00 C ATOM 853 O THR A 59 2.372 -17.095 7.776 1.00 0.00 O ATOM 854 CB THR A 59 1.303 -14.693 9.883 1.00 0.00 C ATOM 855 OG1 THR A 59 0.326 -15.736 9.802 1.00 0.00 O ATOM 856 CG2 THR A 59 0.696 -13.384 9.402 1.00 0.00 C ATOM 0 H THR A 59 2.782 -13.312 7.919 1.00 0.00 H new ATOM 0 HA THR A 59 3.224 -15.650 9.658 1.00 0.00 H new ATOM 0 HB THR A 59 1.617 -14.570 10.919 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.457 -15.493 10.339 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.176 -13.142 10.009 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.433 -12.586 9.492 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.395 -13.484 8.359 1.00 0.00 H new ATOM 864 N VAL A 60 1.410 -15.256 6.907 1.00 0.00 N ATOM 865 CA VAL A 60 0.930 -15.938 5.711 1.00 0.00 C ATOM 866 C VAL A 60 2.085 -16.559 4.932 1.00 0.00 C ATOM 867 O VAL A 60 3.148 -15.955 4.788 1.00 0.00 O ATOM 868 CB VAL A 60 0.160 -14.977 4.787 1.00 0.00 C ATOM 869 CG1 VAL A 60 -0.435 -15.731 3.607 1.00 0.00 C ATOM 870 CG2 VAL A 60 -0.924 -14.246 5.564 1.00 0.00 C ATOM 0 H VAL A 60 1.173 -14.265 6.951 1.00 0.00 H new ATOM 0 HA VAL A 60 0.255 -16.726 6.045 1.00 0.00 H new ATOM 0 HB VAL A 60 0.859 -14.237 4.398 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.975 -15.035 2.965 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.365 -16.204 3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.121 -16.495 3.972 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.458 -13.571 4.896 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.623 -14.970 5.983 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.469 -13.672 6.371 1.00 0.00 H new ATOM 880 N LYS A 61 1.868 -17.769 4.429 1.00 0.00 N ATOM 881 CA LYS A 61 2.889 -18.473 3.661 1.00 0.00 C ATOM 882 C LYS A 61 2.540 -18.489 2.177 1.00 0.00 C ATOM 883 O LYS A 61 3.391 -18.230 1.326 1.00 0.00 O ATOM 884 CB LYS A 61 3.045 -19.906 4.175 1.00 0.00 C ATOM 885 CG LYS A 61 4.035 -20.038 5.320 1.00 0.00 C ATOM 886 CD LYS A 61 3.826 -21.330 6.091 1.00 0.00 C ATOM 887 CE LYS A 61 4.603 -22.481 5.471 1.00 0.00 C ATOM 888 NZ LYS A 61 4.773 -23.613 6.425 1.00 0.00 N ATOM 0 H LYS A 61 0.994 -18.283 4.539 1.00 0.00 H new ATOM 0 HA LYS A 61 3.833 -17.943 3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.072 -20.273 4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.366 -20.545 3.353 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.052 -20.007 4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.927 -19.189 5.995 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.141 -21.193 7.125 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.764 -21.575 6.111 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.083 -22.832 4.580 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.582 -22.127 5.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.307 -24.377 5.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.292 -23.285 7.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.839 -23.968 6.712 1.00 0.00 H new ATOM 902 N ASP A 62 1.283 -18.793 1.873 1.00 0.00 N ATOM 903 CA ASP A 62 0.820 -18.841 0.491 1.00 0.00 C ATOM 904 C ASP A 62 -0.492 -18.078 0.331 1.00 0.00 C ATOM 905 O ASP A 62 -1.200 -17.828 1.307 1.00 0.00 O ATOM 906 CB ASP A 62 0.640 -20.291 0.040 1.00 0.00 C ATOM 907 CG ASP A 62 -0.433 -21.014 0.831 1.00 0.00 C ATOM 908 OD1 ASP A 62 -0.519 -20.791 2.057 1.00 0.00 O ATOM 909 OD2 ASP A 62 -1.187 -21.803 0.224 1.00 0.00 O ATOM 0 H ASP A 62 0.566 -19.010 2.565 1.00 0.00 H new ATOM 0 HA ASP A 62 1.575 -18.366 -0.136 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.382 -20.310 -1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.586 -20.822 0.147 1.00 0.00 H new ATOM 914 N LEU A 63 -0.810 -17.711 -0.906 1.00 0.00 N ATOM 915 CA LEU A 63 -2.036 -16.976 -1.194 1.00 0.00 C ATOM 916 C LEU A 63 -3.154 -17.926 -1.614 1.00 0.00 C ATOM 917 O LEU A 63 -2.915 -18.999 -2.167 1.00 0.00 O ATOM 918 CB LEU A 63 -1.788 -15.944 -2.295 1.00 0.00 C ATOM 919 CG LEU A 63 -0.714 -14.896 -2.003 1.00 0.00 C ATOM 920 CD1 LEU A 63 -0.134 -14.350 -3.299 1.00 0.00 C ATOM 921 CD2 LEU A 63 -1.286 -13.768 -1.156 1.00 0.00 C ATOM 0 H LEU A 63 -0.236 -17.911 -1.725 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.344 -16.461 -0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.512 -16.474 -3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.726 -15.427 -2.499 1.00 0.00 H new ATOM 0 HG LEU A 63 0.089 -15.374 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.629 -13.605 -3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.313 -15.164 -3.869 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.927 -13.888 -3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.508 -13.031 -0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.108 -13.292 -1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.652 -14.172 -0.212 1.00 0.00 H new ATOM 933 N PRO A 64 -4.405 -17.522 -1.347 1.00 0.00 N ATOM 934 CA PRO A 64 -5.585 -18.321 -1.691 1.00 0.00 C ATOM 935 C PRO A 64 -5.822 -18.386 -3.196 1.00 0.00 C ATOM 936 O PRO A 64 -6.544 -19.256 -3.683 1.00 0.00 O ATOM 937 CB PRO A 64 -6.731 -17.576 -1.001 1.00 0.00 C ATOM 938 CG PRO A 64 -6.253 -16.170 -0.883 1.00 0.00 C ATOM 939 CD PRO A 64 -4.764 -16.254 -0.689 1.00 0.00 C ATOM 0 HA PRO A 64 -5.481 -19.359 -1.374 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.649 -17.634 -1.585 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.948 -18.004 -0.022 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.498 -15.598 -1.778 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.728 -15.665 -0.042 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.251 -15.406 -1.143 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.496 -16.260 0.368 1.00 0.00 H new ATOM 947 N PHE A 65 -5.210 -17.461 -3.927 1.00 0.00 N ATOM 948 CA PHE A 65 -5.355 -17.413 -5.378 1.00 0.00 C ATOM 949 C PHE A 65 -4.011 -17.149 -6.051 1.00 0.00 C ATOM 950 O PHE A 65 -3.030 -16.815 -5.388 1.00 0.00 O ATOM 951 CB PHE A 65 -6.359 -16.329 -5.775 1.00 0.00 C ATOM 952 CG PHE A 65 -5.795 -14.938 -5.715 1.00 0.00 C ATOM 953 CD1 PHE A 65 -5.682 -14.275 -4.504 1.00 0.00 C ATOM 954 CD2 PHE A 65 -5.379 -14.295 -6.869 1.00 0.00 C ATOM 955 CE1 PHE A 65 -5.163 -12.995 -4.445 1.00 0.00 C ATOM 956 CE2 PHE A 65 -4.859 -13.015 -6.816 1.00 0.00 C ATOM 957 CZ PHE A 65 -4.752 -12.364 -5.602 1.00 0.00 C ATOM 0 H PHE A 65 -4.609 -16.734 -3.539 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.725 -18.382 -5.714 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.713 -16.526 -6.787 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.226 -16.390 -5.117 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.003 -14.763 -3.596 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.462 -14.799 -7.821 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.079 -12.489 -3.495 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.537 -12.524 -7.723 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.348 -11.364 -5.558 1.00 0.00 H new ATOM 967 N GLU A 66 -3.977 -17.303 -7.371 1.00 0.00 N ATOM 968 CA GLU A 66 -2.754 -17.083 -8.133 1.00 0.00 C ATOM 969 C GLU A 66 -2.813 -15.757 -8.886 1.00 0.00 C ATOM 970 O GLU A 66 -3.386 -15.656 -9.971 1.00 0.00 O ATOM 971 CB GLU A 66 -2.526 -18.232 -9.118 1.00 0.00 C ATOM 972 CG GLU A 66 -1.347 -18.010 -10.050 1.00 0.00 C ATOM 973 CD GLU A 66 -0.827 -19.301 -10.651 1.00 0.00 C ATOM 974 OE1 GLU A 66 -0.924 -20.349 -9.977 1.00 0.00 O ATOM 975 OE2 GLU A 66 -0.324 -19.265 -11.792 1.00 0.00 O ATOM 0 H GLU A 66 -4.782 -17.579 -7.934 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.921 -17.046 -7.431 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.367 -19.153 -8.558 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.428 -18.373 -9.714 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.645 -17.334 -10.852 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.543 -17.519 -9.502 1.00 0.00 H new ATOM 982 N PRO A 67 -2.208 -14.715 -8.298 1.00 0.00 N ATOM 983 CA PRO A 67 -2.178 -13.376 -8.895 1.00 0.00 C ATOM 984 C PRO A 67 -1.293 -13.315 -10.136 1.00 0.00 C ATOM 985 O PRO A 67 -0.395 -14.138 -10.311 1.00 0.00 O ATOM 986 CB PRO A 67 -1.596 -12.504 -7.780 1.00 0.00 C ATOM 987 CG PRO A 67 -0.792 -13.441 -6.946 1.00 0.00 C ATOM 988 CD PRO A 67 -1.505 -14.763 -7.004 1.00 0.00 C ATOM 0 HA PRO A 67 -3.164 -13.058 -9.233 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.976 -11.704 -8.186 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.385 -12.031 -7.195 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.225 -13.529 -7.328 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.717 -13.083 -5.919 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.807 -15.599 -6.957 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.200 -14.881 -6.173 1.00 0.00 H new ATOM 996 N SER A 68 -1.554 -12.334 -10.994 1.00 0.00 N ATOM 997 CA SER A 68 -0.783 -12.168 -12.221 1.00 0.00 C ATOM 998 C SER A 68 -0.020 -10.847 -12.208 1.00 0.00 C ATOM 999 O SER A 68 -0.021 -10.125 -11.210 1.00 0.00 O ATOM 1000 CB SER A 68 -1.707 -12.223 -13.440 1.00 0.00 C ATOM 1001 OG SER A 68 -2.062 -13.560 -13.749 1.00 0.00 O ATOM 0 H SER A 68 -2.292 -11.643 -10.863 1.00 0.00 H new ATOM 0 HA SER A 68 -0.063 -12.984 -12.282 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.607 -11.640 -13.245 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.211 -11.767 -14.297 1.00 0.00 H new ATOM 0 HG SER A 68 -2.654 -13.569 -14.530 1.00 0.00 H new ATOM 1007 N LYS A 69 0.633 -10.537 -13.323 1.00 0.00 N ATOM 1008 CA LYS A 69 1.401 -9.304 -13.443 1.00 0.00 C ATOM 1009 C LYS A 69 0.537 -8.091 -13.113 1.00 0.00 C ATOM 1010 O LYS A 69 0.879 -7.290 -12.242 1.00 0.00 O ATOM 1011 CB LYS A 69 1.971 -9.169 -14.857 1.00 0.00 C ATOM 1012 CG LYS A 69 2.917 -7.992 -15.021 1.00 0.00 C ATOM 1013 CD LYS A 69 4.348 -8.375 -14.683 1.00 0.00 C ATOM 1014 CE LYS A 69 5.272 -7.168 -14.723 1.00 0.00 C ATOM 1015 NZ LYS A 69 5.401 -6.613 -16.099 1.00 0.00 N ATOM 0 H LYS A 69 0.645 -11.124 -14.157 1.00 0.00 H new ATOM 0 HA LYS A 69 2.224 -9.347 -12.729 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.498 -10.087 -15.116 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.147 -9.064 -15.563 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.870 -7.626 -16.047 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.596 -7.174 -14.376 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.380 -8.827 -13.692 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.700 -9.128 -15.388 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.890 -6.396 -14.055 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.257 -7.452 -14.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.116 -5.857 -16.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.692 -7.368 -16.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.486 -6.225 -16.404 1.00 0.00 H new ATOM 1029 N LYS A 70 -0.584 -7.961 -13.814 1.00 0.00 N ATOM 1030 CA LYS A 70 -1.499 -6.847 -13.594 1.00 0.00 C ATOM 1031 C LYS A 70 -1.678 -6.575 -12.104 1.00 0.00 C ATOM 1032 O LYS A 70 -1.893 -5.434 -11.692 1.00 0.00 O ATOM 1033 CB LYS A 70 -2.857 -7.142 -14.236 1.00 0.00 C ATOM 1034 CG LYS A 70 -3.467 -8.459 -13.790 1.00 0.00 C ATOM 1035 CD LYS A 70 -3.066 -9.600 -14.710 1.00 0.00 C ATOM 1036 CE LYS A 70 -4.144 -10.670 -14.774 1.00 0.00 C ATOM 1037 NZ LYS A 70 -5.306 -10.238 -15.599 1.00 0.00 N ATOM 0 H LYS A 70 -0.881 -8.613 -14.540 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.069 -5.959 -14.058 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.546 -6.332 -13.996 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.742 -7.153 -15.320 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.148 -8.682 -12.772 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.553 -8.370 -13.772 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.877 -9.212 -15.711 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.134 -10.042 -14.358 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.723 -11.585 -15.191 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.482 -10.905 -13.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.938 -11.048 -15.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.825 -9.487 -15.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.967 -9.877 -16.514 1.00 0.00 H new ATOM 1051 N LEU A 71 -1.586 -7.629 -11.300 1.00 0.00 N ATOM 1052 CA LEU A 71 -1.736 -7.503 -9.854 1.00 0.00 C ATOM 1053 C LEU A 71 -0.377 -7.530 -9.162 1.00 0.00 C ATOM 1054 O LEU A 71 0.322 -8.543 -9.184 1.00 0.00 O ATOM 1055 CB LEU A 71 -2.620 -8.629 -9.314 1.00 0.00 C ATOM 1056 CG LEU A 71 -2.981 -8.544 -7.830 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -3.978 -7.422 -7.587 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -3.541 -9.872 -7.342 1.00 0.00 C ATOM 0 H LEU A 71 -1.408 -8.580 -11.624 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.211 -6.545 -9.644 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.544 -8.648 -9.892 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.114 -9.578 -9.491 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.074 -8.325 -7.266 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.223 -7.377 -6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.541 -6.473 -7.900 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.885 -7.611 -8.161 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.793 -9.794 -6.284 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.437 -10.120 -7.911 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.795 -10.654 -7.481 1.00 0.00 H new ATOM 1070 N PHE A 72 -0.011 -6.411 -8.546 1.00 0.00 N ATOM 1071 CA PHE A 72 1.264 -6.306 -7.845 1.00 0.00 C ATOM 1072 C PHE A 72 1.100 -6.645 -6.366 1.00 0.00 C ATOM 1073 O PHE A 72 0.411 -5.941 -5.628 1.00 0.00 O ATOM 1074 CB PHE A 72 1.839 -4.897 -7.996 1.00 0.00 C ATOM 1075 CG PHE A 72 2.234 -4.559 -9.405 1.00 0.00 C ATOM 1076 CD1 PHE A 72 3.352 -5.139 -9.983 1.00 0.00 C ATOM 1077 CD2 PHE A 72 1.488 -3.662 -10.152 1.00 0.00 C ATOM 1078 CE1 PHE A 72 3.719 -4.829 -11.279 1.00 0.00 C ATOM 1079 CE2 PHE A 72 1.850 -3.348 -11.449 1.00 0.00 C ATOM 1080 CZ PHE A 72 2.966 -3.934 -12.013 1.00 0.00 C ATOM 0 H PHE A 72 -0.579 -5.564 -8.518 1.00 0.00 H new ATOM 0 HA PHE A 72 1.955 -7.022 -8.290 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.101 -4.173 -7.650 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.711 -4.798 -7.349 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.943 -5.841 -9.414 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.613 -3.202 -9.716 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.594 -5.286 -11.717 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.261 -2.646 -12.020 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.249 -3.693 -13.027 1.00 0.00 H new ATOM 1090 N VAL A 73 1.740 -7.730 -5.939 1.00 0.00 N ATOM 1091 CA VAL A 73 1.667 -8.163 -4.549 1.00 0.00 C ATOM 1092 C VAL A 73 2.869 -7.665 -3.754 1.00 0.00 C ATOM 1093 O VAL A 73 4.010 -7.765 -4.206 1.00 0.00 O ATOM 1094 CB VAL A 73 1.595 -9.698 -4.442 1.00 0.00 C ATOM 1095 CG1 VAL A 73 1.003 -10.113 -3.104 1.00 0.00 C ATOM 1096 CG2 VAL A 73 0.787 -10.274 -5.595 1.00 0.00 C ATOM 0 H VAL A 73 2.315 -8.325 -6.536 1.00 0.00 H new ATOM 0 HA VAL A 73 0.756 -7.734 -4.132 1.00 0.00 H new ATOM 0 HB VAL A 73 2.607 -10.098 -4.503 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.960 -11.201 -3.047 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.627 -9.731 -2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.003 -9.705 -3.009 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.746 -11.359 -5.504 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.225 -9.869 -5.568 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.260 -10.007 -6.540 1.00 0.00 H new ATOM 1106 N VAL A 74 2.606 -7.128 -2.567 1.00 0.00 N ATOM 1107 CA VAL A 74 3.666 -6.615 -1.708 1.00 0.00 C ATOM 1108 C VAL A 74 3.451 -7.038 -0.259 1.00 0.00 C ATOM 1109 O VAL A 74 2.466 -7.699 0.068 1.00 0.00 O ATOM 1110 CB VAL A 74 3.750 -5.079 -1.776 1.00 0.00 C ATOM 1111 CG1 VAL A 74 4.228 -4.630 -3.148 1.00 0.00 C ATOM 1112 CG2 VAL A 74 2.403 -4.457 -1.442 1.00 0.00 C ATOM 0 H VAL A 74 1.667 -7.037 -2.178 1.00 0.00 H new ATOM 0 HA VAL A 74 4.602 -7.038 -2.072 1.00 0.00 H new ATOM 0 HB VAL A 74 4.475 -4.739 -1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.281 -3.542 -3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.216 -5.047 -3.343 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.530 -4.979 -3.909 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.481 -3.371 -1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.656 -4.803 -2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.106 -4.751 -0.435 1.00 0.00 H new ATOM 1122 N LYS A 75 4.381 -6.651 0.608 1.00 0.00 N ATOM 1123 CA LYS A 75 4.294 -6.987 2.025 1.00 0.00 C ATOM 1124 C LYS A 75 3.470 -5.950 2.781 1.00 0.00 C ATOM 1125 O LYS A 75 2.967 -4.995 2.190 1.00 0.00 O ATOM 1126 CB LYS A 75 5.695 -7.084 2.634 1.00 0.00 C ATOM 1127 CG LYS A 75 6.621 -8.025 1.883 1.00 0.00 C ATOM 1128 CD LYS A 75 8.077 -7.623 2.047 1.00 0.00 C ATOM 1129 CE LYS A 75 8.946 -8.216 0.949 1.00 0.00 C ATOM 1130 NZ LYS A 75 10.342 -8.449 1.411 1.00 0.00 N ATOM 0 H LYS A 75 5.204 -6.104 0.354 1.00 0.00 H new ATOM 0 HA LYS A 75 3.798 -7.954 2.114 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.142 -6.090 2.657 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.610 -7.419 3.668 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.480 -9.043 2.247 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.360 -8.026 0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.160 -6.536 2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.440 -7.956 3.019 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.513 -9.158 0.612 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.955 -7.544 0.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.902 -8.854 0.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.764 -7.546 1.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.336 -9.110 2.214 1.00 0.00 H new ATOM 1144 N GLN A 76 3.338 -6.145 4.089 1.00 0.00 N ATOM 1145 CA GLN A 76 2.575 -5.225 4.924 1.00 0.00 C ATOM 1146 C GLN A 76 3.320 -3.907 5.103 1.00 0.00 C ATOM 1147 O GLN A 76 2.712 -2.837 5.119 1.00 0.00 O ATOM 1148 CB GLN A 76 2.295 -5.856 6.290 1.00 0.00 C ATOM 1149 CG GLN A 76 3.510 -5.891 7.204 1.00 0.00 C ATOM 1150 CD GLN A 76 4.559 -6.883 6.742 1.00 0.00 C ATOM 1151 OE1 GLN A 76 5.600 -6.499 6.208 1.00 0.00 O ATOM 1152 NE2 GLN A 76 4.291 -8.167 6.946 1.00 0.00 N ATOM 0 H GLN A 76 3.749 -6.931 4.593 1.00 0.00 H new ATOM 0 HA GLN A 76 1.628 -5.021 4.425 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.497 -5.300 6.781 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.931 -6.873 6.144 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.953 -4.896 7.252 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.192 -6.148 8.215 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.416 -8.441 7.392 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.960 -8.880 6.656 1.00 0.00 H new ATOM 1161 N GLU A 77 4.640 -3.992 5.237 1.00 0.00 N ATOM 1162 CA GLU A 77 5.467 -2.804 5.416 1.00 0.00 C ATOM 1163 C GLU A 77 5.147 -1.754 4.356 1.00 0.00 C ATOM 1164 O GLU A 77 5.017 -0.569 4.661 1.00 0.00 O ATOM 1165 CB GLU A 77 6.950 -3.174 5.353 1.00 0.00 C ATOM 1166 CG GLU A 77 7.856 -2.183 6.063 1.00 0.00 C ATOM 1167 CD GLU A 77 7.656 -2.184 7.567 1.00 0.00 C ATOM 1168 OE1 GLU A 77 7.573 -3.283 8.154 1.00 0.00 O ATOM 1169 OE2 GLU A 77 7.583 -1.085 8.156 1.00 0.00 O ATOM 0 H GLU A 77 5.159 -4.870 5.225 1.00 0.00 H new ATOM 0 HA GLU A 77 5.247 -2.383 6.397 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.088 -4.161 5.795 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.253 -3.247 4.309 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.896 -2.421 5.838 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.667 -1.182 5.676 1.00 0.00 H new ATOM 1176 N TRP A 78 5.023 -2.198 3.111 1.00 0.00 N ATOM 1177 CA TRP A 78 4.720 -1.297 2.005 1.00 0.00 C ATOM 1178 C TRP A 78 3.610 -0.323 2.385 1.00 0.00 C ATOM 1179 O TRP A 78 3.849 0.873 2.547 1.00 0.00 O ATOM 1180 CB TRP A 78 4.312 -2.096 0.766 1.00 0.00 C ATOM 1181 CG TRP A 78 4.170 -1.253 -0.465 1.00 0.00 C ATOM 1182 CD1 TRP A 78 5.142 -0.972 -1.382 1.00 0.00 C ATOM 1183 CD2 TRP A 78 2.988 -0.580 -0.911 1.00 0.00 C ATOM 1184 NE1 TRP A 78 4.635 -0.165 -2.372 1.00 0.00 N ATOM 1185 CE2 TRP A 78 3.315 0.089 -2.106 1.00 0.00 C ATOM 1186 CE3 TRP A 78 1.684 -0.479 -0.418 1.00 0.00 C ATOM 1187 CZ2 TRP A 78 2.386 0.848 -2.813 1.00 0.00 C ATOM 1188 CZ3 TRP A 78 0.763 0.275 -1.120 1.00 0.00 C ATOM 1189 CH2 TRP A 78 1.117 0.930 -2.307 1.00 0.00 C ATOM 0 H TRP A 78 5.128 -3.176 2.842 1.00 0.00 H new ATOM 0 HA TRP A 78 5.619 -0.724 1.779 1.00 0.00 H new ATOM 0 HB2 TRP A 78 5.055 -2.872 0.582 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.366 -2.600 0.963 1.00 0.00 H new ATOM 0 HD1 TRP A 78 6.159 -1.331 -1.336 1.00 0.00 H new ATOM 0 HE1 TRP A 78 5.157 0.188 -3.175 1.00 0.00 H new ATOM 0 HE3 TRP A 78 1.401 -0.981 0.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 2.657 1.354 -3.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -0.247 0.361 -0.747 1.00 0.00 H new ATOM 0 HH2 TRP A 78 0.374 1.511 -2.833 1.00 0.00 H new ATOM 1200 N PHE A 79 2.395 -0.843 2.526 1.00 0.00 N ATOM 1201 CA PHE A 79 1.248 -0.019 2.887 1.00 0.00 C ATOM 1202 C PHE A 79 1.605 0.947 4.013 1.00 0.00 C ATOM 1203 O PHE A 79 1.471 2.162 3.868 1.00 0.00 O ATOM 1204 CB PHE A 79 0.072 -0.901 3.310 1.00 0.00 C ATOM 1205 CG PHE A 79 -1.125 -0.122 3.776 1.00 0.00 C ATOM 1206 CD1 PHE A 79 -1.876 0.622 2.880 1.00 0.00 C ATOM 1207 CD2 PHE A 79 -1.499 -0.133 5.110 1.00 0.00 C ATOM 1208 CE1 PHE A 79 -2.977 1.340 3.306 1.00 0.00 C ATOM 1209 CE2 PHE A 79 -2.600 0.583 5.542 1.00 0.00 C ATOM 1210 CZ PHE A 79 -3.340 1.320 4.638 1.00 0.00 C ATOM 0 H PHE A 79 2.180 -1.831 2.396 1.00 0.00 H new ATOM 0 HA PHE A 79 0.960 0.562 2.011 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.219 -1.531 2.470 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.397 -1.566 4.110 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.598 0.641 1.837 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.924 -0.708 5.821 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.553 1.916 2.598 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.881 0.566 6.585 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.201 1.880 4.972 1.00 0.00 H new ATOM 1220 N TRP A 80 2.058 0.398 5.134 1.00 0.00 N ATOM 1221 CA TRP A 80 2.434 1.210 6.285 1.00 0.00 C ATOM 1222 C TRP A 80 3.305 2.387 5.860 1.00 0.00 C ATOM 1223 O TRP A 80 2.945 3.545 6.068 1.00 0.00 O ATOM 1224 CB TRP A 80 3.175 0.357 7.317 1.00 0.00 C ATOM 1225 CG TRP A 80 2.302 -0.666 7.979 1.00 0.00 C ATOM 1226 CD1 TRP A 80 2.506 -2.016 8.017 1.00 0.00 C ATOM 1227 CD2 TRP A 80 1.086 -0.421 8.694 1.00 0.00 C ATOM 1228 NE1 TRP A 80 1.491 -2.625 8.714 1.00 0.00 N ATOM 1229 CE2 TRP A 80 0.608 -1.669 9.141 1.00 0.00 C ATOM 1230 CE3 TRP A 80 0.357 0.729 9.004 1.00 0.00 C ATOM 1231 CZ2 TRP A 80 -0.567 -1.795 9.878 1.00 0.00 C ATOM 1232 CZ3 TRP A 80 -0.809 0.603 9.735 1.00 0.00 C ATOM 1233 CH2 TRP A 80 -1.261 -0.651 10.166 1.00 0.00 C ATOM 0 H TRP A 80 2.174 -0.606 5.270 1.00 0.00 H new ATOM 0 HA TRP A 80 1.522 1.602 6.735 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.009 -0.148 6.829 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.600 1.010 8.080 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.342 -2.529 7.566 1.00 0.00 H new ATOM 0 HE1 TRP A 80 1.408 -3.627 8.886 1.00 0.00 H new ATOM 0 HE3 TRP A 80 0.699 1.700 8.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.918 -2.761 10.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -1.381 1.486 9.978 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.175 -0.716 10.737 1.00 0.00 H new ATOM 1244 N GLY A 81 4.453 2.083 5.264 1.00 0.00 N ATOM 1245 CA GLY A 81 5.358 3.127 4.819 1.00 0.00 C ATOM 1246 C GLY A 81 4.659 4.182 3.984 1.00 0.00 C ATOM 1247 O GLY A 81 4.504 5.324 4.418 1.00 0.00 O ATOM 0 H GLY A 81 4.773 1.132 5.081 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.817 3.600 5.687 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.164 2.681 4.236 1.00 0.00 H new ATOM 1251 N SER A 82 4.239 3.800 2.783 1.00 0.00 N ATOM 1252 CA SER A 82 3.558 4.724 1.882 1.00 0.00 C ATOM 1253 C SER A 82 2.687 5.702 2.664 1.00 0.00 C ATOM 1254 O SER A 82 2.545 6.865 2.284 1.00 0.00 O ATOM 1255 CB SER A 82 2.701 3.951 0.877 1.00 0.00 C ATOM 1256 OG SER A 82 3.506 3.346 -0.120 1.00 0.00 O ATOM 0 H SER A 82 4.358 2.858 2.411 1.00 0.00 H new ATOM 0 HA SER A 82 4.316 5.291 1.342 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.125 3.186 1.398 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.984 4.626 0.410 1.00 0.00 H new ATOM 0 HG SER A 82 2.935 2.857 -0.749 1.00 0.00 H new ATOM 1262 N ILE A 83 2.106 5.222 3.759 1.00 0.00 N ATOM 1263 CA ILE A 83 1.249 6.054 4.595 1.00 0.00 C ATOM 1264 C ILE A 83 2.075 7.010 5.449 1.00 0.00 C ATOM 1265 O ILE A 83 1.794 8.206 5.507 1.00 0.00 O ATOM 1266 CB ILE A 83 0.360 5.198 5.517 1.00 0.00 C ATOM 1267 CG1 ILE A 83 -0.517 4.259 4.687 1.00 0.00 C ATOM 1268 CG2 ILE A 83 -0.498 6.089 6.402 1.00 0.00 C ATOM 1269 CD1 ILE A 83 -0.859 2.967 5.396 1.00 0.00 C ATOM 0 H ILE A 83 2.213 4.262 4.087 1.00 0.00 H new ATOM 0 HA ILE A 83 0.613 6.629 3.922 1.00 0.00 H new ATOM 0 HB ILE A 83 1.002 4.594 6.158 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.440 4.775 4.424 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.005 4.027 3.753 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.120 5.469 7.048 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.145 6.720 7.015 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.134 6.717 5.778 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.483 2.351 4.748 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.058 2.429 5.635 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.400 3.189 6.316 1.00 0.00 H new ATOM 1281 N GLN A 84 3.097 6.473 6.109 1.00 0.00 N ATOM 1282 CA GLN A 84 3.965 7.279 6.958 1.00 0.00 C ATOM 1283 C GLN A 84 4.684 8.349 6.143 1.00 0.00 C ATOM 1284 O GLN A 84 4.674 9.526 6.501 1.00 0.00 O ATOM 1285 CB GLN A 84 4.987 6.390 7.669 1.00 0.00 C ATOM 1286 CG GLN A 84 5.484 6.966 8.985 1.00 0.00 C ATOM 1287 CD GLN A 84 4.430 6.924 10.074 1.00 0.00 C ATOM 1288 OE1 GLN A 84 3.730 5.925 10.239 1.00 0.00 O ATOM 1289 NE2 GLN A 84 4.313 8.013 10.826 1.00 0.00 N ATOM 0 H GLN A 84 3.343 5.484 6.072 1.00 0.00 H new ATOM 0 HA GLN A 84 3.343 7.774 7.704 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.539 5.414 7.855 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.839 6.229 7.008 1.00 0.00 H new ATOM 0 HG2 GLN A 84 6.362 6.409 9.313 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.800 7.998 8.830 1.00 0.00 H new ATOM 0 HE21 GLN A 84 4.914 8.819 10.654 1.00 0.00 H new ATOM 0 HE22 GLN A 84 3.622 8.043 11.575 1.00 0.00 H new ATOM 1298 N MET A 85 5.307 7.931 5.046 1.00 0.00 N ATOM 1299 CA MET A 85 6.030 8.854 4.180 1.00 0.00 C ATOM 1300 C MET A 85 5.084 9.523 3.187 1.00 0.00 C ATOM 1301 O MET A 85 5.492 10.388 2.413 1.00 0.00 O ATOM 1302 CB MET A 85 7.140 8.118 3.427 1.00 0.00 C ATOM 1303 CG MET A 85 6.625 7.040 2.487 1.00 0.00 C ATOM 1304 SD MET A 85 7.822 5.718 2.224 1.00 0.00 S ATOM 1305 CE MET A 85 7.555 5.359 0.490 1.00 0.00 C ATOM 0 H MET A 85 5.325 6.959 4.736 1.00 0.00 H new ATOM 0 HA MET A 85 6.476 9.626 4.807 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.720 8.841 2.854 1.00 0.00 H new ATOM 0 HB3 MET A 85 7.819 7.665 4.149 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.706 6.617 2.894 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.371 7.491 1.528 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.376 4.748 0.114 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.616 4.818 0.371 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.510 6.292 -0.072 1.00 0.00 H new ATOM 1315 N ASP A 86 3.820 9.116 3.217 1.00 0.00 N ATOM 1316 CA ASP A 86 2.815 9.677 2.320 1.00 0.00 C ATOM 1317 C ASP A 86 3.308 9.664 0.876 1.00 0.00 C ATOM 1318 O ASP A 86 3.124 10.632 0.139 1.00 0.00 O ATOM 1319 CB ASP A 86 2.466 11.106 2.740 1.00 0.00 C ATOM 1320 CG ASP A 86 1.326 11.153 3.738 1.00 0.00 C ATOM 1321 OD1 ASP A 86 1.516 10.680 4.879 1.00 0.00 O ATOM 1322 OD2 ASP A 86 0.243 11.662 3.379 1.00 0.00 O ATOM 0 H ASP A 86 3.466 8.400 3.852 1.00 0.00 H new ATOM 0 HA ASP A 86 1.920 9.059 2.385 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.346 11.579 3.175 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.197 11.686 1.857 1.00 0.00 H new ATOM 1327 N ALA A 87 3.936 8.562 0.480 1.00 0.00 N ATOM 1328 CA ALA A 87 4.454 8.423 -0.875 1.00 0.00 C ATOM 1329 C ALA A 87 4.420 6.968 -1.330 1.00 0.00 C ATOM 1330 O ALA A 87 4.901 6.078 -0.629 1.00 0.00 O ATOM 1331 CB ALA A 87 5.872 8.970 -0.956 1.00 0.00 C ATOM 0 H ALA A 87 4.098 7.752 1.079 1.00 0.00 H new ATOM 0 HA ALA A 87 3.814 9.000 -1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.247 8.860 -1.974 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.871 10.025 -0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.515 8.417 -0.271 1.00 0.00 H new ATOM 1337 N ARG A 88 3.846 6.734 -2.506 1.00 0.00 N ATOM 1338 CA ARG A 88 3.747 5.386 -3.052 1.00 0.00 C ATOM 1339 C ARG A 88 5.132 4.782 -3.264 1.00 0.00 C ATOM 1340 O ARG A 88 5.824 5.112 -4.227 1.00 0.00 O ATOM 1341 CB ARG A 88 2.980 5.405 -4.376 1.00 0.00 C ATOM 1342 CG ARG A 88 2.840 4.035 -5.019 1.00 0.00 C ATOM 1343 CD ARG A 88 1.593 3.950 -5.883 1.00 0.00 C ATOM 1344 NE ARG A 88 1.756 3.010 -6.989 1.00 0.00 N ATOM 1345 CZ ARG A 88 2.539 3.238 -8.038 1.00 0.00 C ATOM 1346 NH1 ARG A 88 3.226 4.369 -8.123 1.00 0.00 N ATOM 1347 NH2 ARG A 88 2.636 2.334 -9.005 1.00 0.00 N ATOM 0 H ARG A 88 3.443 7.460 -3.098 1.00 0.00 H new ATOM 0 HA ARG A 88 3.206 4.769 -2.334 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.987 5.820 -4.205 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.489 6.073 -5.071 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.720 3.826 -5.627 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.799 3.270 -4.243 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.747 3.643 -5.269 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.358 4.938 -6.279 1.00 0.00 H new ATOM 0 HE ARG A 88 1.241 2.130 -6.954 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.154 5.066 -7.382 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.826 4.542 -8.929 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.109 1.463 -8.943 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.237 2.510 -9.810 1.00 0.00 H new ATOM 1361 N ALA A 89 5.531 3.897 -2.357 1.00 0.00 N ATOM 1362 CA ALA A 89 6.832 3.245 -2.444 1.00 0.00 C ATOM 1363 C ALA A 89 6.864 2.235 -3.586 1.00 0.00 C ATOM 1364 O ALA A 89 5.828 1.894 -4.156 1.00 0.00 O ATOM 1365 CB ALA A 89 7.172 2.566 -1.126 1.00 0.00 C ATOM 0 H ALA A 89 4.971 3.615 -1.552 1.00 0.00 H new ATOM 0 HA ALA A 89 7.581 4.010 -2.649 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.146 2.083 -1.206 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.200 3.310 -0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.414 1.817 -0.896 1.00 0.00 H new ATOM 1371 N GLY A 90 8.061 1.761 -3.917 1.00 0.00 N ATOM 1372 CA GLY A 90 8.206 0.795 -4.991 1.00 0.00 C ATOM 1373 C GLY A 90 7.936 -0.625 -4.534 1.00 0.00 C ATOM 1374 O GLY A 90 8.588 -1.122 -3.616 1.00 0.00 O ATOM 0 H GLY A 90 8.933 2.029 -3.461 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.521 1.050 -5.800 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.216 0.857 -5.397 1.00 0.00 H new ATOM 1378 N GLU A 91 6.971 -1.278 -5.174 1.00 0.00 N ATOM 1379 CA GLU A 91 6.615 -2.648 -4.825 1.00 0.00 C ATOM 1380 C GLU A 91 7.831 -3.566 -4.919 1.00 0.00 C ATOM 1381 O GLU A 91 8.016 -4.458 -4.090 1.00 0.00 O ATOM 1382 CB GLU A 91 5.503 -3.160 -5.743 1.00 0.00 C ATOM 1383 CG GLU A 91 4.261 -2.285 -5.740 1.00 0.00 C ATOM 1384 CD GLU A 91 4.384 -1.094 -6.670 1.00 0.00 C ATOM 1385 OE1 GLU A 91 4.327 -1.295 -7.901 1.00 0.00 O ATOM 1386 OE2 GLU A 91 4.537 0.039 -6.168 1.00 0.00 O ATOM 0 H GLU A 91 6.422 -0.880 -5.936 1.00 0.00 H new ATOM 0 HA GLU A 91 6.256 -2.652 -3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.886 -3.229 -6.761 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.227 -4.169 -5.438 1.00 0.00 H new ATOM 0 HG2 GLU A 91 3.399 -2.883 -6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.073 -1.932 -4.726 1.00 0.00 H new ATOM 1393 N THR A 92 8.657 -3.342 -5.936 1.00 0.00 N ATOM 1394 CA THR A 92 9.853 -4.149 -6.141 1.00 0.00 C ATOM 1395 C THR A 92 10.685 -4.232 -4.867 1.00 0.00 C ATOM 1396 O THR A 92 11.549 -5.098 -4.734 1.00 0.00 O ATOM 1397 CB THR A 92 10.726 -3.581 -7.276 1.00 0.00 C ATOM 1398 OG1 THR A 92 9.958 -3.473 -8.479 1.00 0.00 O ATOM 1399 CG2 THR A 92 11.939 -4.466 -7.520 1.00 0.00 C ATOM 0 H THR A 92 8.519 -2.608 -6.631 1.00 0.00 H new ATOM 0 HA THR A 92 9.517 -5.148 -6.417 1.00 0.00 H new ATOM 0 HB THR A 92 11.072 -2.591 -6.977 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.520 -3.110 -9.195 1.00 0.00 H new ATOM 0 HG21 THR A 92 12.540 -4.045 -8.326 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.538 -4.521 -6.611 1.00 0.00 H new ATOM 0 HG23 THR A 92 11.609 -5.467 -7.799 1.00 0.00 H new ATOM 1407 N MET A 93 10.420 -3.326 -3.932 1.00 0.00 N ATOM 1408 CA MET A 93 11.144 -3.298 -2.667 1.00 0.00 C ATOM 1409 C MET A 93 10.431 -4.141 -1.614 1.00 0.00 C ATOM 1410 O MET A 93 11.057 -4.647 -0.682 1.00 0.00 O ATOM 1411 CB MET A 93 11.292 -1.859 -2.170 1.00 0.00 C ATOM 1412 CG MET A 93 12.225 -1.014 -3.023 1.00 0.00 C ATOM 1413 SD MET A 93 12.638 0.561 -2.249 1.00 0.00 S ATOM 1414 CE MET A 93 12.019 1.712 -3.473 1.00 0.00 C ATOM 0 H MET A 93 9.709 -2.601 -4.027 1.00 0.00 H new ATOM 0 HA MET A 93 12.135 -3.720 -2.835 1.00 0.00 H new ATOM 0 HB2 MET A 93 10.309 -1.389 -2.146 1.00 0.00 H new ATOM 0 HB3 MET A 93 11.663 -1.874 -1.145 1.00 0.00 H new ATOM 0 HG2 MET A 93 13.142 -1.572 -3.214 1.00 0.00 H new ATOM 0 HG3 MET A 93 11.758 -0.828 -3.990 1.00 0.00 H new ATOM 0 HE1 MET A 93 12.038 2.722 -3.065 1.00 0.00 H new ATOM 0 HE2 MET A 93 12.646 1.669 -4.363 1.00 0.00 H new ATOM 0 HE3 MET A 93 10.995 1.447 -3.737 1.00 0.00 H new ATOM 1424 N TYR A 94 9.120 -4.288 -1.768 1.00 0.00 N ATOM 1425 CA TYR A 94 8.323 -5.067 -0.829 1.00 0.00 C ATOM 1426 C TYR A 94 7.529 -6.150 -1.555 1.00 0.00 C ATOM 1427 O TYR A 94 6.521 -6.643 -1.048 1.00 0.00 O ATOM 1428 CB TYR A 94 7.370 -4.154 -0.056 1.00 0.00 C ATOM 1429 CG TYR A 94 8.034 -2.909 0.489 1.00 0.00 C ATOM 1430 CD1 TYR A 94 8.343 -1.841 -0.344 1.00 0.00 C ATOM 1431 CD2 TYR A 94 8.353 -2.802 1.837 1.00 0.00 C ATOM 1432 CE1 TYR A 94 8.950 -0.703 0.149 1.00 0.00 C ATOM 1433 CE2 TYR A 94 8.959 -1.667 2.340 1.00 0.00 C ATOM 1434 CZ TYR A 94 9.256 -0.620 1.492 1.00 0.00 C ATOM 1435 OH TYR A 94 9.860 0.512 1.988 1.00 0.00 O ATOM 0 H TYR A 94 8.587 -3.878 -2.535 1.00 0.00 H new ATOM 0 HA TYR A 94 9.004 -5.549 -0.127 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.549 -3.861 -0.711 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.934 -4.715 0.771 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.104 -1.902 -1.396 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.123 -3.620 2.503 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.184 0.118 -0.513 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.199 -1.600 3.391 1.00 0.00 H new ATOM 0 HH TYR A 94 10.006 0.409 2.952 1.00 0.00 H new ATOM 1445 N LEU A 95 7.993 -6.515 -2.746 1.00 0.00 N ATOM 1446 CA LEU A 95 7.328 -7.540 -3.543 1.00 0.00 C ATOM 1447 C LEU A 95 7.270 -8.864 -2.789 1.00 0.00 C ATOM 1448 O LEU A 95 8.301 -9.426 -2.419 1.00 0.00 O ATOM 1449 CB LEU A 95 8.057 -7.730 -4.875 1.00 0.00 C ATOM 1450 CG LEU A 95 7.575 -6.859 -6.035 1.00 0.00 C ATOM 1451 CD1 LEU A 95 8.356 -7.175 -7.301 1.00 0.00 C ATOM 1452 CD2 LEU A 95 6.083 -7.054 -6.264 1.00 0.00 C ATOM 0 H LEU A 95 8.826 -6.117 -3.180 1.00 0.00 H new ATOM 0 HA LEU A 95 6.308 -7.209 -3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.118 -7.535 -4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 95 7.966 -8.775 -5.170 1.00 0.00 H new ATOM 0 HG LEU A 95 7.750 -5.815 -5.777 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.999 -6.545 -8.116 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.416 -6.983 -7.132 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.214 -8.223 -7.564 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.757 -6.426 -7.093 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.885 -8.099 -6.500 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.537 -6.776 -5.362 1.00 0.00 H new ATOM 1464 N TYR A 96 6.057 -9.358 -2.566 1.00 0.00 N ATOM 1465 CA TYR A 96 5.864 -10.617 -1.855 1.00 0.00 C ATOM 1466 C TYR A 96 6.332 -11.797 -2.700 1.00 0.00 C ATOM 1467 O TYR A 96 5.558 -12.375 -3.463 1.00 0.00 O ATOM 1468 CB TYR A 96 4.391 -10.795 -1.483 1.00 0.00 C ATOM 1469 CG TYR A 96 4.109 -12.071 -0.722 1.00 0.00 C ATOM 1470 CD1 TYR A 96 4.346 -12.156 0.644 1.00 0.00 C ATOM 1471 CD2 TYR A 96 3.606 -13.193 -1.370 1.00 0.00 C ATOM 1472 CE1 TYR A 96 4.091 -13.320 1.343 1.00 0.00 C ATOM 1473 CE2 TYR A 96 3.346 -14.361 -0.680 1.00 0.00 C ATOM 1474 CZ TYR A 96 3.590 -14.419 0.677 1.00 0.00 C ATOM 1475 OH TYR A 96 3.334 -15.581 1.368 1.00 0.00 O ATOM 0 H TYR A 96 5.193 -8.906 -2.867 1.00 0.00 H new ATOM 0 HA TYR A 96 6.462 -10.586 -0.944 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.072 -9.944 -0.881 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.791 -10.784 -2.393 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.737 -11.297 1.169 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.415 -13.151 -2.432 1.00 0.00 H new ATOM 0 HE1 TYR A 96 4.283 -13.369 2.405 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.954 -15.223 -1.199 1.00 0.00 H new ATOM 0 HH TYR A 96 3.766 -16.334 0.913 1.00 0.00 H new ATOM 1485 N GLU A 97 7.606 -12.150 -2.558 1.00 0.00 N ATOM 1486 CA GLU A 97 8.179 -13.261 -3.308 1.00 0.00 C ATOM 1487 C GLU A 97 8.002 -14.576 -2.554 1.00 0.00 C ATOM 1488 O GLU A 97 8.531 -15.612 -2.956 1.00 0.00 O ATOM 1489 CB GLU A 97 9.664 -13.012 -3.578 1.00 0.00 C ATOM 1490 CG GLU A 97 9.921 -12.060 -4.735 1.00 0.00 C ATOM 1491 CD GLU A 97 9.738 -12.721 -6.087 1.00 0.00 C ATOM 1492 OE1 GLU A 97 10.074 -13.918 -6.211 1.00 0.00 O ATOM 1493 OE2 GLU A 97 9.259 -12.043 -7.020 1.00 0.00 O ATOM 0 H GLU A 97 8.260 -11.683 -1.931 1.00 0.00 H new ATOM 0 HA GLU A 97 7.651 -13.333 -4.259 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.126 -12.608 -2.677 1.00 0.00 H new ATOM 0 HB3 GLU A 97 10.151 -13.964 -3.787 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.245 -11.209 -4.657 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.936 -11.669 -4.660 1.00 0.00 H new ATOM 1500 N LYS A 98 7.254 -14.525 -1.457 1.00 0.00 N ATOM 1501 CA LYS A 98 7.005 -15.710 -0.645 1.00 0.00 C ATOM 1502 C LYS A 98 5.703 -16.389 -1.058 1.00 0.00 C ATOM 1503 O LYS A 98 4.990 -16.945 -0.223 1.00 0.00 O ATOM 1504 CB LYS A 98 6.948 -15.335 0.838 1.00 0.00 C ATOM 1505 CG LYS A 98 8.217 -14.673 1.347 1.00 0.00 C ATOM 1506 CD LYS A 98 9.246 -15.703 1.785 1.00 0.00 C ATOM 1507 CE LYS A 98 10.487 -15.040 2.361 1.00 0.00 C ATOM 1508 NZ LYS A 98 11.406 -14.559 1.293 1.00 0.00 N ATOM 0 H LYS A 98 6.810 -13.675 -1.110 1.00 0.00 H new ATOM 0 HA LYS A 98 7.826 -16.409 -0.806 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.106 -14.662 1.002 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.757 -16.234 1.424 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.640 -14.045 0.563 1.00 0.00 H new ATOM 0 HG3 LYS A 98 7.976 -14.019 2.185 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.806 -16.364 2.531 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.526 -16.324 0.934 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.191 -14.201 2.990 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.013 -15.748 3.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.239 -14.113 1.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.709 -15.363 0.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.912 -13.864 0.697 1.00 0.00 H new ATOM 1522 N ALA A 99 5.401 -16.342 -2.351 1.00 0.00 N ATOM 1523 CA ALA A 99 4.188 -16.956 -2.875 1.00 0.00 C ATOM 1524 C ALA A 99 4.503 -18.255 -3.610 1.00 0.00 C ATOM 1525 O ALA A 99 4.553 -18.287 -4.839 1.00 0.00 O ATOM 1526 CB ALA A 99 3.463 -15.988 -3.798 1.00 0.00 C ATOM 0 H ALA A 99 5.980 -15.885 -3.055 1.00 0.00 H new ATOM 0 HA ALA A 99 3.538 -17.194 -2.033 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.559 -16.460 -4.182 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.195 -15.088 -3.244 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.115 -15.721 -4.630 1.00 0.00 H new ATOM 1532 N ASN A 100 4.714 -19.324 -2.849 1.00 0.00 N ATOM 1533 CA ASN A 100 5.026 -20.625 -3.428 1.00 0.00 C ATOM 1534 C ASN A 100 3.796 -21.528 -3.431 1.00 0.00 C ATOM 1535 O ASN A 100 3.670 -22.428 -2.600 1.00 0.00 O ATOM 1536 CB ASN A 100 6.162 -21.294 -2.651 1.00 0.00 C ATOM 1537 CG ASN A 100 6.932 -22.290 -3.497 1.00 0.00 C ATOM 1538 OD1 ASN A 100 7.860 -21.923 -4.217 1.00 0.00 O ATOM 1539 ND2 ASN A 100 6.549 -23.559 -3.412 1.00 0.00 N ATOM 0 H ASN A 100 4.675 -19.315 -1.830 1.00 0.00 H new ATOM 0 HA ASN A 100 5.343 -20.469 -4.459 1.00 0.00 H new ATOM 0 HB2 ASN A 100 6.846 -20.530 -2.282 1.00 0.00 H new ATOM 0 HB3 ASN A 100 5.752 -21.803 -1.779 1.00 0.00 H new ATOM 0 HD21 ASN A 100 7.030 -24.274 -3.957 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.774 -23.818 -2.802 1.00 0.00 H new ATOM 1546 N THR A 101 2.889 -21.281 -4.372 1.00 0.00 N ATOM 1547 CA THR A 101 1.669 -22.070 -4.483 1.00 0.00 C ATOM 1548 C THR A 101 1.981 -23.516 -4.853 1.00 0.00 C ATOM 1549 O THR A 101 2.943 -23.806 -5.564 1.00 0.00 O ATOM 1550 CB THR A 101 0.711 -21.478 -5.534 1.00 0.00 C ATOM 1551 OG1 THR A 101 1.459 -20.842 -6.576 1.00 0.00 O ATOM 1552 CG2 THR A 101 -0.236 -20.473 -4.897 1.00 0.00 C ATOM 0 H THR A 101 2.977 -20.541 -5.068 1.00 0.00 H new ATOM 0 HA THR A 101 1.186 -22.044 -3.506 1.00 0.00 H new ATOM 0 HB THR A 101 0.122 -22.292 -5.956 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.592 -19.897 -6.353 1.00 0.00 H new ATOM 0 HG21 THR A 101 -0.903 -20.068 -5.658 1.00 0.00 H new ATOM 0 HG22 THR A 101 -0.825 -20.967 -4.124 1.00 0.00 H new ATOM 0 HG23 THR A 101 0.340 -19.662 -4.451 1.00 0.00 H new ATOM 1560 N PRO A 102 1.149 -24.446 -4.362 1.00 0.00 N ATOM 1561 CA PRO A 102 1.315 -25.878 -4.629 1.00 0.00 C ATOM 1562 C PRO A 102 1.015 -26.235 -6.081 1.00 0.00 C ATOM 1563 O PRO A 102 1.325 -27.335 -6.535 1.00 0.00 O ATOM 1564 CB PRO A 102 0.296 -26.534 -3.695 1.00 0.00 C ATOM 1565 CG PRO A 102 -0.743 -25.489 -3.474 1.00 0.00 C ATOM 1566 CD PRO A 102 -0.019 -24.172 -3.507 1.00 0.00 C ATOM 0 HA PRO A 102 2.340 -26.208 -4.461 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.133 -27.430 -4.144 1.00 0.00 H new ATOM 0 HB3 PRO A 102 0.758 -26.838 -2.756 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -1.510 -25.532 -4.247 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -1.245 -25.634 -2.518 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.643 -23.380 -3.921 1.00 0.00 H new ATOM 0 HD3 PRO A 102 0.280 -23.853 -2.509 1.00 0.00 H new ATOM 1574 N GLU A 103 0.409 -25.297 -6.803 1.00 0.00 N ATOM 1575 CA GLU A 103 0.066 -25.515 -8.203 1.00 0.00 C ATOM 1576 C GLU A 103 1.184 -25.025 -9.119 1.00 0.00 C ATOM 1577 O GLU A 103 1.381 -23.821 -9.287 1.00 0.00 O ATOM 1578 CB GLU A 103 -1.242 -24.800 -8.549 1.00 0.00 C ATOM 1579 CG GLU A 103 -1.553 -24.786 -10.036 1.00 0.00 C ATOM 1580 CD GLU A 103 -3.023 -24.547 -10.322 1.00 0.00 C ATOM 1581 OE1 GLU A 103 -3.453 -23.375 -10.279 1.00 0.00 O ATOM 1582 OE2 GLU A 103 -3.743 -25.532 -10.589 1.00 0.00 O ATOM 0 H GLU A 103 0.146 -24.380 -6.442 1.00 0.00 H new ATOM 0 HA GLU A 103 -0.063 -26.586 -8.356 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -2.062 -25.285 -8.019 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -1.192 -23.773 -8.187 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -0.961 -24.009 -10.520 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -1.251 -25.737 -10.476 1.00 0.00 H new ATOM 1589 N SER A 104 1.914 -25.966 -9.709 1.00 0.00 N ATOM 1590 CA SER A 104 3.015 -25.631 -10.605 1.00 0.00 C ATOM 1591 C SER A 104 3.073 -26.602 -11.780 1.00 0.00 C ATOM 1592 O SER A 104 3.282 -27.801 -11.600 1.00 0.00 O ATOM 1593 CB SER A 104 4.342 -25.652 -9.845 1.00 0.00 C ATOM 1594 OG SER A 104 5.419 -25.284 -10.689 1.00 0.00 O ATOM 0 H SER A 104 1.763 -26.967 -9.583 1.00 0.00 H new ATOM 0 HA SER A 104 2.843 -24.627 -10.994 1.00 0.00 H new ATOM 0 HB2 SER A 104 4.290 -24.969 -8.997 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.517 -26.649 -9.440 1.00 0.00 H new ATOM 0 HG SER A 104 6.256 -25.304 -10.179 1.00 0.00 H new ATOM 1600 N GLY A 105 2.888 -26.073 -12.986 1.00 0.00 N ATOM 1601 CA GLY A 105 2.923 -26.906 -14.175 1.00 0.00 C ATOM 1602 C GLY A 105 1.747 -26.650 -15.096 1.00 0.00 C ATOM 1603 O GLY A 105 1.224 -25.539 -15.178 1.00 0.00 O ATOM 0 H GLY A 105 2.715 -25.083 -13.161 1.00 0.00 H new ATOM 0 HA2 GLY A 105 3.851 -26.723 -14.716 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.928 -27.955 -13.880 1.00 0.00 H new ATOM 1607 N PRO A 106 1.314 -27.698 -15.813 1.00 0.00 N ATOM 1608 CA PRO A 106 0.188 -27.607 -16.747 1.00 0.00 C ATOM 1609 C PRO A 106 -1.146 -27.420 -16.032 1.00 0.00 C ATOM 1610 O PRO A 106 -1.872 -28.384 -15.791 1.00 0.00 O ATOM 1611 CB PRO A 106 0.220 -28.953 -17.475 1.00 0.00 C ATOM 1612 CG PRO A 106 0.888 -29.883 -16.521 1.00 0.00 C ATOM 1613 CD PRO A 106 1.889 -29.053 -15.766 1.00 0.00 C ATOM 0 HA PRO A 106 0.278 -26.746 -17.410 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -0.786 -29.294 -17.722 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.772 -28.883 -18.412 1.00 0.00 H new ATOM 0 HG2 PRO A 106 0.163 -30.333 -15.843 1.00 0.00 H new ATOM 0 HG3 PRO A 106 1.378 -30.700 -17.051 1.00 0.00 H new ATOM 0 HD2 PRO A 106 2.009 -29.403 -14.741 1.00 0.00 H new ATOM 0 HD3 PRO A 106 2.873 -29.088 -16.233 1.00 0.00 H new ATOM 1621 N SER A 107 -1.462 -26.174 -15.694 1.00 0.00 N ATOM 1622 CA SER A 107 -2.707 -25.861 -15.003 1.00 0.00 C ATOM 1623 C SER A 107 -3.912 -26.306 -15.826 1.00 0.00 C ATOM 1624 O SER A 107 -4.487 -25.520 -16.580 1.00 0.00 O ATOM 1625 CB SER A 107 -2.795 -24.361 -14.718 1.00 0.00 C ATOM 1626 OG SER A 107 -1.837 -23.968 -13.750 1.00 0.00 O ATOM 0 H SER A 107 -0.872 -25.364 -15.888 1.00 0.00 H new ATOM 0 HA SER A 107 -2.715 -26.403 -14.058 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.635 -23.803 -15.640 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.796 -24.113 -14.365 1.00 0.00 H new ATOM 0 HG SER A 107 -1.913 -23.005 -13.587 1.00 0.00 H new ATOM 1632 N SER A 108 -4.289 -27.572 -15.677 1.00 0.00 N ATOM 1633 CA SER A 108 -5.423 -28.123 -16.409 1.00 0.00 C ATOM 1634 C SER A 108 -5.179 -28.063 -17.914 1.00 0.00 C ATOM 1635 O SER A 108 -6.058 -27.674 -18.682 1.00 0.00 O ATOM 1636 CB SER A 108 -6.703 -27.362 -16.058 1.00 0.00 C ATOM 1637 OG SER A 108 -7.844 -28.190 -16.201 1.00 0.00 O ATOM 0 H SER A 108 -3.826 -28.235 -15.056 1.00 0.00 H new ATOM 0 HA SER A 108 -5.538 -29.167 -16.118 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.642 -26.995 -15.033 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.800 -26.489 -16.704 1.00 0.00 H new ATOM 0 HG SER A 108 -8.649 -27.681 -15.969 1.00 0.00 H new ATOM 1643 N GLY A 109 -3.977 -28.452 -18.329 1.00 0.00 N ATOM 1644 CA GLY A 109 -3.637 -28.435 -19.739 1.00 0.00 C ATOM 1645 C GLY A 109 -2.601 -29.481 -20.099 1.00 0.00 C ATOM 1646 O GLY A 109 -1.464 -29.148 -20.434 1.00 0.00 O ATOM 0 H GLY A 109 -3.233 -28.779 -17.713 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.538 -28.603 -20.329 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -3.260 -27.448 -20.007 1.00 0.00 H new TER 1650 GLY A 109