USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 837 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.471 (180deg=-0.139) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 7 SER OG : rot 20:sc= 0.545 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc=0.000392 USER MOD Single : A 12 GLN : amide:sc= -0.364 X(o=-0.36,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0884 USER MOD Single : A 36 LYS NZ :NH3+ -135:sc= -0.178 (180deg=-1.02) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -36:sc= 0.145 USER MOD Single : A 48 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0664) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.365 USER MOD Single : A 50 SER OG : rot -56:sc= 0.139 USER MOD Single : A 51 ASN :FLIP amide:sc= 0.802 F(o=-1.2,f=0.8) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 68 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0296) USER MOD Single : A 69 TYR OH : rot -76:sc= 1.09 USER MOD Single : A 76 THR OG1 : rot -93:sc= 1.21 USER MOD Single : A 81 LYS NZ :NH3+ -160:sc= 0.74 (180deg=0.337) USER MOD Single : A 82 ASN : amide:sc= -0.454 X(o=-0.45,f=-0.17) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.312 K(o=-0.31,f=-4.8!) USER MOD Single : A 99 LYS NZ :NH3+ 154:sc= -0.0271 (180deg=-0.319) USER MOD Single : A 105 ASN : amide:sc= -0.291 K(o=-0.29,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.903 -6.786 -2.102 1.00 0.00 N ATOM 2 CA MET A 1 2.636 -5.457 -2.714 1.00 0.00 C ATOM 3 C MET A 1 1.169 -5.321 -3.125 1.00 0.00 C ATOM 4 O MET A 1 0.619 -6.187 -3.808 1.00 0.00 O ATOM 5 CB MET A 1 3.553 -5.285 -3.929 1.00 0.00 C ATOM 6 CG MET A 1 5.037 -5.428 -3.612 1.00 0.00 C ATOM 7 SD MET A 1 5.680 -7.072 -3.980 1.00 0.00 S ATOM 8 CE MET A 1 7.077 -6.647 -5.019 1.00 0.00 C ATOM 0 H1 MET A 1 3.086 -6.669 -1.085 1.00 0.00 H new ATOM 0 H2 MET A 1 2.076 -7.403 -2.237 1.00 0.00 H new ATOM 0 H3 MET A 1 3.734 -7.217 -2.556 1.00 0.00 H new ATOM 0 HA MET A 1 2.840 -4.677 -1.981 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.281 -6.023 -4.684 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.379 -4.302 -4.366 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.598 -4.688 -4.183 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.201 -5.207 -2.557 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.586 -7.558 -5.334 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.726 -6.105 -5.897 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.770 -6.019 -4.458 1.00 0.00 H new ATOM 20 N VAL A 2 0.540 -4.230 -2.698 1.00 0.00 N ATOM 21 CA VAL A 2 -0.865 -3.979 -3.008 1.00 0.00 C ATOM 22 C VAL A 2 -1.034 -3.501 -4.447 1.00 0.00 C ATOM 23 O VAL A 2 -0.172 -2.805 -4.987 1.00 0.00 O ATOM 24 CB VAL A 2 -1.465 -2.931 -2.035 1.00 0.00 C ATOM 25 CG1 VAL A 2 -2.956 -2.713 -2.287 1.00 0.00 C ATOM 26 CG2 VAL A 2 -1.218 -3.361 -0.596 1.00 0.00 C ATOM 0 H VAL A 2 0.982 -3.503 -2.135 1.00 0.00 H new ATOM 0 HA VAL A 2 -1.400 -4.921 -2.889 1.00 0.00 H new ATOM 0 HB VAL A 2 -0.967 -1.978 -2.214 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.339 -1.972 -1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.105 -2.358 -3.307 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.490 -3.653 -2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.642 -2.621 0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -1.690 -4.328 -0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.145 -3.443 -0.420 1.00 0.00 H new ATOM 36 N LYS A 3 -2.146 -3.884 -5.069 1.00 0.00 N ATOM 37 CA LYS A 3 -2.417 -3.492 -6.441 1.00 0.00 C ATOM 38 C LYS A 3 -3.902 -3.227 -6.631 1.00 0.00 C ATOM 39 O LYS A 3 -4.734 -4.113 -6.429 1.00 0.00 O ATOM 40 CB LYS A 3 -1.972 -4.576 -7.431 1.00 0.00 C ATOM 41 CG LYS A 3 -2.305 -5.996 -6.986 1.00 0.00 C ATOM 42 CD LYS A 3 -1.176 -6.613 -6.176 1.00 0.00 C ATOM 43 CE LYS A 3 -1.025 -8.100 -6.461 1.00 0.00 C ATOM 44 NZ LYS A 3 -0.041 -8.355 -7.546 1.00 0.00 N ATOM 0 H LYS A 3 -2.869 -4.463 -4.643 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.850 -2.582 -6.639 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.444 -4.388 -8.396 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.895 -4.496 -7.582 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.217 -5.985 -6.389 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.504 -6.614 -7.861 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.241 -6.102 -6.407 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.367 -6.464 -5.113 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.708 -8.614 -5.554 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.992 -8.517 -6.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.035 -9.379 -7.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.357 -7.885 -8.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.888 -7.980 -7.267 1.00 0.00 H new ATOM 58 N GLN A 4 -4.232 -2.003 -7.020 1.00 0.00 N ATOM 59 CA GLN A 4 -5.620 -1.631 -7.241 1.00 0.00 C ATOM 60 C GLN A 4 -6.117 -2.271 -8.536 1.00 0.00 C ATOM 61 O GLN A 4 -5.467 -2.168 -9.578 1.00 0.00 O ATOM 62 CB GLN A 4 -5.759 -0.109 -7.306 1.00 0.00 C ATOM 63 CG GLN A 4 -7.176 0.372 -7.585 1.00 0.00 C ATOM 64 CD GLN A 4 -7.616 1.474 -6.640 1.00 0.00 C ATOM 65 OE1 GLN A 4 -6.888 2.439 -6.411 1.00 0.00 O ATOM 66 NE2 GLN A 4 -8.817 1.336 -6.090 1.00 0.00 N ATOM 0 H GLN A 4 -3.560 -1.255 -7.188 1.00 0.00 H new ATOM 0 HA GLN A 4 -6.226 -1.991 -6.410 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -5.421 0.317 -6.361 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -5.097 0.273 -8.083 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.237 0.733 -8.612 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.864 -0.469 -7.501 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.387 0.519 -6.308 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.169 2.047 -5.449 1.00 0.00 H new ATOM 75 N ILE A 5 -7.260 -2.939 -8.465 1.00 0.00 N ATOM 76 CA ILE A 5 -7.827 -3.610 -9.633 1.00 0.00 C ATOM 77 C ILE A 5 -8.967 -2.790 -10.240 1.00 0.00 C ATOM 78 O ILE A 5 -10.049 -2.674 -9.663 1.00 0.00 O ATOM 79 CB ILE A 5 -8.268 -5.057 -9.261 1.00 0.00 C ATOM 80 CG1 ILE A 5 -7.108 -6.034 -9.514 1.00 0.00 C ATOM 81 CG2 ILE A 5 -9.512 -5.516 -10.022 1.00 0.00 C ATOM 82 CD1 ILE A 5 -5.757 -5.538 -9.036 1.00 0.00 C ATOM 0 H ILE A 5 -7.814 -3.032 -7.614 1.00 0.00 H new ATOM 0 HA ILE A 5 -7.059 -3.689 -10.402 1.00 0.00 H new ATOM 0 HB ILE A 5 -8.531 -5.049 -8.203 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.330 -6.979 -9.019 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.049 -6.240 -10.583 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -9.769 -6.531 -9.720 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.343 -4.848 -9.796 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.311 -5.496 -11.093 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.996 -6.288 -9.253 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.508 -4.609 -9.549 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.794 -5.360 -7.961 1.00 0.00 H new ATOM 94 N GLU A 6 -8.697 -2.206 -11.407 1.00 0.00 N ATOM 95 CA GLU A 6 -9.679 -1.382 -12.103 1.00 0.00 C ATOM 96 C GLU A 6 -10.389 -2.157 -13.210 1.00 0.00 C ATOM 97 O GLU A 6 -10.962 -1.562 -14.123 1.00 0.00 O ATOM 98 CB GLU A 6 -9.006 -0.133 -12.681 1.00 0.00 C ATOM 99 CG GLU A 6 -8.953 1.036 -11.707 1.00 0.00 C ATOM 100 CD GLU A 6 -8.688 2.361 -12.395 1.00 0.00 C ATOM 101 OE1 GLU A 6 -7.505 2.691 -12.612 1.00 0.00 O ATOM 102 OE2 GLU A 6 -9.666 3.071 -12.712 1.00 0.00 O ATOM 0 H GLU A 6 -7.803 -2.290 -11.890 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.433 -1.082 -11.375 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -7.991 -0.386 -12.988 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.542 0.176 -13.578 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -9.897 1.095 -11.165 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.173 0.853 -10.968 1.00 0.00 H new ATOM 109 N SER A 7 -10.349 -3.482 -13.134 1.00 0.00 N ATOM 110 CA SER A 7 -10.991 -4.315 -14.145 1.00 0.00 C ATOM 111 C SER A 7 -11.368 -5.681 -13.580 1.00 0.00 C ATOM 112 O SER A 7 -10.802 -6.133 -12.584 1.00 0.00 O ATOM 113 CB SER A 7 -10.062 -4.485 -15.347 1.00 0.00 C ATOM 114 OG SER A 7 -10.167 -3.383 -16.231 1.00 0.00 O ATOM 0 H SER A 7 -9.883 -4.000 -12.389 1.00 0.00 H new ATOM 0 HA SER A 7 -11.907 -3.817 -14.462 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.032 -4.583 -15.004 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.311 -5.405 -15.876 1.00 0.00 H new ATOM 0 HG SER A 7 -10.549 -2.617 -15.754 1.00 0.00 H new ATOM 120 N LYS A 8 -12.317 -6.347 -14.234 1.00 0.00 N ATOM 121 CA LYS A 8 -12.759 -7.667 -13.805 1.00 0.00 C ATOM 122 C LYS A 8 -11.688 -8.719 -14.085 1.00 0.00 C ATOM 123 O LYS A 8 -11.589 -9.718 -13.373 1.00 0.00 O ATOM 124 CB LYS A 8 -14.059 -8.047 -14.516 1.00 0.00 C ATOM 125 CG LYS A 8 -14.603 -9.407 -14.103 1.00 0.00 C ATOM 126 CD LYS A 8 -14.803 -10.325 -15.302 1.00 0.00 C ATOM 127 CE LYS A 8 -13.479 -10.700 -15.951 1.00 0.00 C ATOM 128 NZ LYS A 8 -13.578 -11.964 -16.736 1.00 0.00 N ATOM 0 H LYS A 8 -12.793 -5.992 -15.063 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.936 -7.632 -12.730 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.812 -7.286 -14.310 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.889 -8.044 -15.593 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.915 -9.875 -13.398 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.552 -9.276 -13.583 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.322 -11.230 -14.985 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.441 -9.832 -16.035 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.155 -9.891 -16.606 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.716 -10.811 -15.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.654 -12.182 -17.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.862 -12.742 -16.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.287 -11.851 -17.489 1.00 0.00 H new ATOM 142 N THR A 9 -10.889 -8.488 -15.124 1.00 0.00 N ATOM 143 CA THR A 9 -9.824 -9.415 -15.494 1.00 0.00 C ATOM 144 C THR A 9 -8.596 -9.212 -14.607 1.00 0.00 C ATOM 145 O THR A 9 -7.850 -10.155 -14.336 1.00 0.00 O ATOM 146 CB THR A 9 -9.448 -9.245 -16.971 1.00 0.00 C ATOM 147 OG1 THR A 9 -10.575 -8.843 -17.733 1.00 0.00 O ATOM 148 CG2 THR A 9 -8.902 -10.508 -17.605 1.00 0.00 C ATOM 0 H THR A 9 -10.959 -7.666 -15.724 1.00 0.00 H new ATOM 0 HA THR A 9 -10.192 -10.430 -15.345 1.00 0.00 H new ATOM 0 HB THR A 9 -8.667 -8.485 -16.980 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.315 -8.738 -18.672 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.657 -10.314 -18.649 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.004 -10.823 -17.074 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.652 -11.297 -17.548 1.00 0.00 H new ATOM 156 N ALA A 10 -8.385 -7.976 -14.160 1.00 0.00 N ATOM 157 CA ALA A 10 -7.243 -7.667 -13.309 1.00 0.00 C ATOM 158 C ALA A 10 -7.361 -8.384 -11.973 1.00 0.00 C ATOM 159 O ALA A 10 -6.364 -8.829 -11.407 1.00 0.00 O ATOM 160 CB ALA A 10 -7.127 -6.167 -13.092 1.00 0.00 C ATOM 0 H ALA A 10 -8.986 -7.179 -14.372 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.341 -8.016 -13.812 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.268 -5.957 -12.454 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.996 -5.669 -14.053 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.034 -5.797 -12.613 1.00 0.00 H new ATOM 166 N PHE A 11 -8.589 -8.510 -11.483 1.00 0.00 N ATOM 167 CA PHE A 11 -8.832 -9.182 -10.209 1.00 0.00 C ATOM 168 C PHE A 11 -8.328 -10.616 -10.268 1.00 0.00 C ATOM 169 O PHE A 11 -7.672 -11.098 -9.343 1.00 0.00 O ATOM 170 CB PHE A 11 -10.326 -9.162 -9.872 1.00 0.00 C ATOM 171 CG PHE A 11 -10.616 -9.376 -8.413 1.00 0.00 C ATOM 172 CD1 PHE A 11 -9.874 -8.719 -7.443 1.00 0.00 C ATOM 173 CD2 PHE A 11 -11.628 -10.230 -8.013 1.00 0.00 C ATOM 174 CE1 PHE A 11 -10.139 -8.912 -6.102 1.00 0.00 C ATOM 175 CE2 PHE A 11 -11.897 -10.426 -6.672 1.00 0.00 C ATOM 176 CZ PHE A 11 -11.152 -9.768 -5.716 1.00 0.00 C ATOM 0 H PHE A 11 -9.428 -8.158 -11.944 1.00 0.00 H new ATOM 0 HA PHE A 11 -8.291 -8.650 -9.426 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.747 -8.205 -10.181 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -10.831 -9.935 -10.452 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.080 -8.049 -7.740 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -12.214 -10.749 -8.757 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -9.555 -8.394 -5.356 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.691 -11.094 -6.372 1.00 0.00 H new ATOM 0 HZ PHE A 11 -11.360 -9.922 -4.667 1.00 0.00 H new ATOM 186 N GLN A 12 -8.620 -11.285 -11.374 1.00 0.00 N ATOM 187 CA GLN A 12 -8.181 -12.655 -11.570 1.00 0.00 C ATOM 188 C GLN A 12 -6.654 -12.700 -11.625 1.00 0.00 C ATOM 189 O GLN A 12 -6.029 -13.607 -11.077 1.00 0.00 O ATOM 190 CB GLN A 12 -8.795 -13.234 -12.848 1.00 0.00 C ATOM 191 CG GLN A 12 -10.317 -13.272 -12.830 1.00 0.00 C ATOM 192 CD GLN A 12 -10.871 -14.658 -12.552 1.00 0.00 C ATOM 193 OE1 GLN A 12 -11.820 -15.099 -13.199 1.00 0.00 O ATOM 194 NE2 GLN A 12 -10.285 -15.350 -11.583 1.00 0.00 N ATOM 0 H GLN A 12 -9.160 -10.899 -12.149 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.518 -13.266 -10.732 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.465 -12.641 -13.701 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.416 -14.245 -12.997 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.684 -12.581 -12.071 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.695 -12.921 -13.790 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.500 -14.947 -11.071 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.619 -16.285 -11.350 1.00 0.00 H new ATOM 203 N GLU A 13 -6.061 -11.703 -12.289 1.00 0.00 N ATOM 204 CA GLU A 13 -4.610 -11.612 -12.423 1.00 0.00 C ATOM 205 C GLU A 13 -3.931 -11.542 -11.058 1.00 0.00 C ATOM 206 O GLU A 13 -2.985 -12.281 -10.790 1.00 0.00 O ATOM 207 CB GLU A 13 -4.232 -10.386 -13.262 1.00 0.00 C ATOM 208 CG GLU A 13 -4.170 -10.677 -14.752 1.00 0.00 C ATOM 209 CD GLU A 13 -3.835 -9.453 -15.580 1.00 0.00 C ATOM 210 OE1 GLU A 13 -3.229 -8.509 -15.029 1.00 0.00 O ATOM 211 OE2 GLU A 13 -4.173 -9.441 -16.782 1.00 0.00 O ATOM 0 H GLU A 13 -6.570 -10.945 -12.743 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.262 -12.513 -12.928 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.958 -9.593 -13.083 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.263 -10.012 -12.931 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.422 -11.449 -14.935 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.129 -11.079 -15.079 1.00 0.00 H new ATOM 218 N ALA A 14 -4.424 -10.659 -10.196 1.00 0.00 N ATOM 219 CA ALA A 14 -3.863 -10.508 -8.859 1.00 0.00 C ATOM 220 C ALA A 14 -4.099 -11.763 -8.021 1.00 0.00 C ATOM 221 O ALA A 14 -3.266 -12.136 -7.195 1.00 0.00 O ATOM 222 CB ALA A 14 -4.462 -9.289 -8.174 1.00 0.00 C ATOM 0 H ALA A 14 -5.208 -10.039 -10.399 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.787 -10.365 -8.953 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.036 -9.186 -7.176 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.238 -8.396 -8.758 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.543 -9.410 -8.096 1.00 0.00 H new ATOM 228 N LEU A 15 -5.236 -12.416 -8.248 1.00 0.00 N ATOM 229 CA LEU A 15 -5.581 -13.634 -7.521 1.00 0.00 C ATOM 230 C LEU A 15 -4.629 -14.764 -7.894 1.00 0.00 C ATOM 231 O LEU A 15 -4.192 -15.533 -7.035 1.00 0.00 O ATOM 232 CB LEU A 15 -7.027 -14.039 -7.816 1.00 0.00 C ATOM 233 CG LEU A 15 -8.084 -13.382 -6.924 1.00 0.00 C ATOM 234 CD1 LEU A 15 -9.482 -13.782 -7.366 1.00 0.00 C ATOM 235 CD2 LEU A 15 -7.864 -13.757 -5.470 1.00 0.00 C ATOM 0 H LEU A 15 -5.935 -12.121 -8.930 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.485 -13.438 -6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.250 -13.797 -8.855 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.112 -15.121 -7.716 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.987 -12.301 -7.021 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.218 -13.305 -6.720 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.643 -13.464 -8.396 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.589 -14.865 -7.300 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.625 -13.280 -4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.932 -14.839 -5.359 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.877 -13.421 -5.153 1.00 0.00 H new ATOM 247 N ASP A 16 -4.299 -14.855 -9.177 1.00 0.00 N ATOM 248 CA ASP A 16 -3.386 -15.887 -9.654 1.00 0.00 C ATOM 249 C ASP A 16 -1.979 -15.646 -9.115 1.00 0.00 C ATOM 250 O ASP A 16 -1.194 -16.581 -8.960 1.00 0.00 O ATOM 251 CB ASP A 16 -3.364 -15.923 -11.185 1.00 0.00 C ATOM 252 CG ASP A 16 -2.604 -17.119 -11.730 1.00 0.00 C ATOM 253 OD1 ASP A 16 -2.837 -18.246 -11.240 1.00 0.00 O ATOM 254 OD2 ASP A 16 -1.783 -16.931 -12.653 1.00 0.00 O ATOM 0 H ASP A 16 -4.648 -14.230 -9.903 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.741 -16.851 -9.289 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.388 -15.947 -11.559 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.909 -15.006 -11.560 1.00 0.00 H new ATOM 259 N ALA A 17 -1.658 -14.379 -8.864 1.00 0.00 N ATOM 260 CA ALA A 17 -0.333 -14.018 -8.376 1.00 0.00 C ATOM 261 C ALA A 17 -0.068 -14.630 -7.009 1.00 0.00 C ATOM 262 O ALA A 17 0.977 -15.247 -6.797 1.00 0.00 O ATOM 263 CB ALA A 17 -0.184 -12.506 -8.314 1.00 0.00 C ATOM 0 H ALA A 17 -2.294 -13.591 -8.990 1.00 0.00 H new ATOM 0 HA ALA A 17 0.403 -14.416 -9.075 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.811 -12.253 -7.948 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.321 -12.086 -9.310 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.935 -12.094 -7.640 1.00 0.00 H new ATOM 269 N ALA A 18 -1.013 -14.482 -6.080 1.00 0.00 N ATOM 270 CA ALA A 18 -0.833 -15.057 -4.753 1.00 0.00 C ATOM 271 C ALA A 18 -0.870 -16.578 -4.847 1.00 0.00 C ATOM 272 O ALA A 18 0.125 -17.256 -4.591 1.00 0.00 O ATOM 273 CB ALA A 18 -1.925 -14.555 -3.818 1.00 0.00 C ATOM 0 H ALA A 18 -1.890 -13.981 -6.219 1.00 0.00 H new ATOM 0 HA ALA A 18 0.134 -14.751 -4.353 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.784 -14.989 -2.828 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.873 -13.468 -3.749 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.900 -14.848 -4.207 1.00 0.00 H new ATOM 279 N GLY A 19 -2.028 -17.102 -5.233 1.00 0.00 N ATOM 280 CA GLY A 19 -2.187 -18.536 -5.380 1.00 0.00 C ATOM 281 C GLY A 19 -2.440 -19.251 -4.064 1.00 0.00 C ATOM 282 O GLY A 19 -3.582 -19.550 -3.719 1.00 0.00 O ATOM 0 H GLY A 19 -2.863 -16.556 -5.447 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.016 -18.735 -6.059 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.290 -18.948 -5.843 1.00 0.00 H new ATOM 286 N ASP A 20 -1.366 -19.536 -3.332 1.00 0.00 N ATOM 287 CA ASP A 20 -1.478 -20.237 -2.057 1.00 0.00 C ATOM 288 C ASP A 20 -1.514 -19.263 -0.883 1.00 0.00 C ATOM 289 O ASP A 20 -1.959 -19.613 0.209 1.00 0.00 O ATOM 290 CB ASP A 20 -0.312 -21.213 -1.898 1.00 0.00 C ATOM 291 CG ASP A 20 1.031 -20.513 -1.926 1.00 0.00 C ATOM 292 OD1 ASP A 20 1.476 -20.038 -0.860 1.00 0.00 O ATOM 293 OD2 ASP A 20 1.638 -20.436 -3.015 1.00 0.00 O ATOM 0 H ASP A 20 -0.412 -19.293 -3.599 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.417 -20.790 -2.057 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.418 -21.753 -0.957 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.350 -21.954 -2.696 1.00 0.00 H new ATOM 298 N LYS A 21 -1.068 -18.033 -1.113 1.00 0.00 N ATOM 299 CA LYS A 21 -1.077 -17.024 -0.072 1.00 0.00 C ATOM 300 C LYS A 21 -2.501 -16.531 0.133 1.00 0.00 C ATOM 301 O LYS A 21 -3.325 -16.594 -0.781 1.00 0.00 O ATOM 302 CB LYS A 21 -0.161 -15.854 -0.448 1.00 0.00 C ATOM 303 CG LYS A 21 1.299 -16.060 -0.069 1.00 0.00 C ATOM 304 CD LYS A 21 2.161 -14.888 -0.518 1.00 0.00 C ATOM 305 CE LYS A 21 3.600 -15.035 -0.045 1.00 0.00 C ATOM 306 NZ LYS A 21 4.183 -13.736 0.388 1.00 0.00 N ATOM 0 H LYS A 21 -0.698 -17.716 -2.009 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.705 -17.462 0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.226 -15.687 -1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.527 -14.949 0.038 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.382 -16.182 1.011 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.668 -16.980 -0.523 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.141 -14.817 -1.605 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.743 -13.959 -0.130 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.638 -15.743 0.783 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.205 -15.453 -0.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.164 -13.883 0.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.171 -13.067 -0.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.622 -13.349 1.174 1.00 0.00 H new ATOM 320 N LEU A 22 -2.787 -16.030 1.321 1.00 0.00 N ATOM 321 CA LEU A 22 -4.118 -15.520 1.625 1.00 0.00 C ATOM 322 C LEU A 22 -4.292 -14.130 1.033 1.00 0.00 C ATOM 323 O LEU A 22 -3.396 -13.292 1.119 1.00 0.00 O ATOM 324 CB LEU A 22 -4.343 -15.490 3.140 1.00 0.00 C ATOM 325 CG LEU A 22 -5.631 -14.801 3.623 1.00 0.00 C ATOM 326 CD1 LEU A 22 -6.817 -15.117 2.717 1.00 0.00 C ATOM 327 CD2 LEU A 22 -5.938 -15.227 5.048 1.00 0.00 C ATOM 0 H LEU A 22 -2.121 -15.964 2.090 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.859 -16.184 1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.346 -16.517 3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.493 -14.989 3.603 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.467 -13.724 3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.707 -14.612 3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.604 -14.772 1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.989 -16.193 2.705 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.851 -14.737 5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.072 -16.308 5.084 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.111 -14.943 5.699 1.00 0.00 H new ATOM 339 N VAL A 23 -5.444 -13.899 0.421 1.00 0.00 N ATOM 340 CA VAL A 23 -5.728 -12.616 -0.200 1.00 0.00 C ATOM 341 C VAL A 23 -6.901 -11.907 0.464 1.00 0.00 C ATOM 342 O VAL A 23 -8.063 -12.271 0.265 1.00 0.00 O ATOM 343 CB VAL A 23 -6.027 -12.767 -1.704 1.00 0.00 C ATOM 344 CG1 VAL A 23 -5.979 -11.413 -2.394 1.00 0.00 C ATOM 345 CG2 VAL A 23 -5.059 -13.744 -2.366 1.00 0.00 C ATOM 0 H VAL A 23 -6.196 -14.583 0.342 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.829 -12.014 -0.068 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.033 -13.175 -1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.192 -11.538 -3.456 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.723 -10.752 -1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.987 -10.977 -2.272 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.296 -13.829 -3.427 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.038 -13.379 -2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.150 -14.722 -1.894 1.00 0.00 H new ATOM 355 N VAL A 24 -6.584 -10.866 1.225 1.00 0.00 N ATOM 356 CA VAL A 24 -7.596 -10.064 1.887 1.00 0.00 C ATOM 357 C VAL A 24 -7.775 -8.777 1.106 1.00 0.00 C ATOM 358 O VAL A 24 -6.831 -8.011 0.922 1.00 0.00 O ATOM 359 CB VAL A 24 -7.229 -9.745 3.353 1.00 0.00 C ATOM 360 CG1 VAL A 24 -5.934 -8.947 3.439 1.00 0.00 C ATOM 361 CG2 VAL A 24 -8.368 -9.002 4.034 1.00 0.00 C ATOM 0 H VAL A 24 -5.627 -10.559 1.397 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.524 -10.635 1.912 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.069 -10.689 3.874 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.704 -8.739 4.484 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.122 -9.523 2.996 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.049 -8.007 2.899 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.095 -8.784 5.066 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.561 -8.069 3.505 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -9.266 -9.620 4.019 1.00 0.00 H new ATOM 371 N VAL A 25 -8.981 -8.565 0.609 1.00 0.00 N ATOM 372 CA VAL A 25 -9.265 -7.398 -0.200 1.00 0.00 C ATOM 373 C VAL A 25 -10.466 -6.624 0.324 1.00 0.00 C ATOM 374 O VAL A 25 -11.206 -7.103 1.182 1.00 0.00 O ATOM 375 CB VAL A 25 -9.481 -7.802 -1.669 1.00 0.00 C ATOM 376 CG1 VAL A 25 -8.149 -8.124 -2.316 1.00 0.00 C ATOM 377 CG2 VAL A 25 -10.397 -9.004 -1.785 1.00 0.00 C ATOM 0 H VAL A 25 -9.777 -9.186 0.753 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.400 -6.738 -0.139 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.951 -6.961 -2.180 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.309 -8.409 -3.356 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.503 -7.247 -2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.675 -8.948 -1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.528 -9.262 -2.836 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.957 -9.849 -1.256 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.366 -8.766 -1.347 1.00 0.00 H new ATOM 387 N ASP A 26 -10.642 -5.417 -0.191 1.00 0.00 N ATOM 388 CA ASP A 26 -11.742 -4.565 0.236 1.00 0.00 C ATOM 389 C ASP A 26 -12.468 -3.944 -0.949 1.00 0.00 C ATOM 390 O ASP A 26 -11.844 -3.442 -1.881 1.00 0.00 O ATOM 391 CB ASP A 26 -11.224 -3.462 1.159 1.00 0.00 C ATOM 392 CG ASP A 26 -12.343 -2.743 1.886 1.00 0.00 C ATOM 393 OD1 ASP A 26 -13.251 -3.426 2.404 1.00 0.00 O ATOM 394 OD2 ASP A 26 -12.308 -1.496 1.939 1.00 0.00 O ATOM 0 H ASP A 26 -10.039 -5.006 -0.904 1.00 0.00 H new ATOM 0 HA ASP A 26 -12.453 -5.191 0.775 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.540 -3.895 1.889 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.653 -2.741 0.574 1.00 0.00 H new ATOM 399 N PHE A 27 -13.793 -3.959 -0.883 1.00 0.00 N ATOM 400 CA PHE A 27 -14.628 -3.375 -1.927 1.00 0.00 C ATOM 401 C PHE A 27 -15.117 -2.002 -1.463 1.00 0.00 C ATOM 402 O PHE A 27 -15.906 -1.904 -0.521 1.00 0.00 O ATOM 403 CB PHE A 27 -15.817 -4.288 -2.221 1.00 0.00 C ATOM 404 CG PHE A 27 -15.609 -5.182 -3.410 1.00 0.00 C ATOM 405 CD1 PHE A 27 -14.834 -6.331 -3.309 1.00 0.00 C ATOM 406 CD2 PHE A 27 -16.183 -4.872 -4.631 1.00 0.00 C ATOM 407 CE1 PHE A 27 -14.643 -7.151 -4.406 1.00 0.00 C ATOM 408 CE2 PHE A 27 -15.994 -5.688 -5.732 1.00 0.00 C ATOM 409 CZ PHE A 27 -15.224 -6.830 -5.619 1.00 0.00 C ATOM 0 H PHE A 27 -14.317 -4.372 -0.111 1.00 0.00 H new ATOM 0 HA PHE A 27 -14.046 -3.264 -2.842 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -16.017 -4.904 -1.344 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -16.703 -3.675 -2.388 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -14.376 -6.586 -2.365 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -16.786 -3.981 -4.725 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -14.040 -8.042 -4.315 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -16.448 -5.433 -6.678 1.00 0.00 H new ATOM 0 HZ PHE A 27 -15.076 -7.470 -6.476 1.00 0.00 H new ATOM 419 N SER A 28 -14.627 -0.946 -2.100 1.00 0.00 N ATOM 420 CA SER A 28 -14.998 0.411 -1.716 1.00 0.00 C ATOM 421 C SER A 28 -15.640 1.185 -2.865 1.00 0.00 C ATOM 422 O SER A 28 -16.002 0.620 -3.896 1.00 0.00 O ATOM 423 CB SER A 28 -13.762 1.152 -1.211 1.00 0.00 C ATOM 424 OG SER A 28 -12.980 1.630 -2.291 1.00 0.00 O ATOM 0 H SER A 28 -13.974 -1.002 -2.882 1.00 0.00 H new ATOM 0 HA SER A 28 -15.743 0.340 -0.923 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.067 1.987 -0.580 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.163 0.486 -0.590 1.00 0.00 H new ATOM 0 HG SER A 28 -12.195 2.102 -1.943 1.00 0.00 H new ATOM 430 N ALA A 29 -15.771 2.491 -2.664 1.00 0.00 N ATOM 431 CA ALA A 29 -16.361 3.375 -3.658 1.00 0.00 C ATOM 432 C ALA A 29 -15.800 4.787 -3.506 1.00 0.00 C ATOM 433 O ALA A 29 -15.405 5.185 -2.409 1.00 0.00 O ATOM 434 CB ALA A 29 -17.879 3.371 -3.525 1.00 0.00 C ATOM 0 H ALA A 29 -15.472 2.964 -1.811 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.105 3.015 -4.654 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -18.312 4.035 -4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -18.255 2.359 -3.678 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -18.158 3.715 -2.529 1.00 0.00 H new ATOM 440 N THR A 30 -15.800 5.557 -4.590 1.00 0.00 N ATOM 441 CA THR A 30 -15.321 6.934 -4.539 1.00 0.00 C ATOM 442 C THR A 30 -16.324 7.803 -3.788 1.00 0.00 C ATOM 443 O THR A 30 -15.961 8.756 -3.100 1.00 0.00 O ATOM 444 CB THR A 30 -15.106 7.480 -5.953 1.00 0.00 C ATOM 445 OG1 THR A 30 -15.947 6.821 -6.882 1.00 0.00 O ATOM 446 CG2 THR A 30 -13.680 7.336 -6.437 1.00 0.00 C ATOM 0 H THR A 30 -16.124 5.254 -5.508 1.00 0.00 H new ATOM 0 HA THR A 30 -14.367 6.954 -4.013 1.00 0.00 H new ATOM 0 HB THR A 30 -15.347 8.541 -5.892 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.794 7.187 -7.778 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.595 7.742 -7.445 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.012 7.880 -5.769 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.404 6.282 -6.446 1.00 0.00 H new ATOM 454 N TRP A 31 -17.599 7.458 -3.949 1.00 0.00 N ATOM 455 CA TRP A 31 -18.696 8.189 -3.322 1.00 0.00 C ATOM 456 C TRP A 31 -18.991 7.675 -1.902 1.00 0.00 C ATOM 457 O TRP A 31 -20.004 8.046 -1.306 1.00 0.00 O ATOM 458 CB TRP A 31 -19.950 8.042 -4.192 1.00 0.00 C ATOM 459 CG TRP A 31 -20.437 6.625 -4.256 1.00 0.00 C ATOM 460 CD1 TRP A 31 -19.972 5.627 -5.069 1.00 0.00 C ATOM 461 CD2 TRP A 31 -21.473 6.045 -3.460 1.00 0.00 C ATOM 462 NE1 TRP A 31 -20.650 4.460 -4.811 1.00 0.00 N ATOM 463 CE2 TRP A 31 -21.577 4.694 -3.832 1.00 0.00 C ATOM 464 CE3 TRP A 31 -22.322 6.534 -2.463 1.00 0.00 C ATOM 465 CZ2 TRP A 31 -22.490 3.827 -3.245 1.00 0.00 C ATOM 466 CZ3 TRP A 31 -23.231 5.671 -1.881 1.00 0.00 C ATOM 467 CH2 TRP A 31 -23.307 4.330 -2.274 1.00 0.00 C ATOM 0 H TRP A 31 -17.900 6.666 -4.516 1.00 0.00 H new ATOM 0 HA TRP A 31 -18.406 9.236 -3.239 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -20.741 8.678 -3.795 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -19.733 8.395 -5.200 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -19.189 5.740 -5.804 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -20.489 3.565 -5.274 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -22.269 7.567 -2.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -22.551 2.792 -3.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -23.893 6.037 -1.111 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -24.027 3.680 -1.799 1.00 0.00 H new ATOM 478 N CYS A 32 -18.116 6.826 -1.356 1.00 0.00 N ATOM 479 CA CYS A 32 -18.318 6.294 -0.007 1.00 0.00 C ATOM 480 C CYS A 32 -17.565 7.114 1.037 1.00 0.00 C ATOM 481 O CYS A 32 -16.595 7.802 0.719 1.00 0.00 O ATOM 482 CB CYS A 32 -17.885 4.826 0.078 1.00 0.00 C ATOM 483 SG CYS A 32 -18.484 3.976 1.578 1.00 0.00 S ATOM 0 H CYS A 32 -17.271 6.496 -1.821 1.00 0.00 H new ATOM 0 HA CYS A 32 -19.385 6.361 0.205 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -18.251 4.296 -0.801 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -16.797 4.774 0.051 1.00 0.00 H new ATOM 488 N GLY A 33 -18.014 7.024 2.288 1.00 0.00 N ATOM 489 CA GLY A 33 -17.369 7.752 3.366 1.00 0.00 C ATOM 490 C GLY A 33 -16.590 6.836 4.293 1.00 0.00 C ATOM 491 O GLY A 33 -15.365 6.925 4.367 1.00 0.00 O ATOM 0 H GLY A 33 -18.814 6.459 2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.695 8.498 2.945 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.123 8.291 3.940 1.00 0.00 H new ATOM 495 N PRO A 34 -17.273 5.937 5.026 1.00 0.00 N ATOM 496 CA PRO A 34 -16.610 5.008 5.949 1.00 0.00 C ATOM 497 C PRO A 34 -15.691 4.026 5.226 1.00 0.00 C ATOM 498 O PRO A 34 -14.767 3.473 5.826 1.00 0.00 O ATOM 499 CB PRO A 34 -17.772 4.253 6.607 1.00 0.00 C ATOM 500 CG PRO A 34 -18.978 5.089 6.350 1.00 0.00 C ATOM 501 CD PRO A 34 -18.735 5.751 5.025 1.00 0.00 C ATOM 0 HA PRO A 34 -15.971 5.536 6.657 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -17.886 3.256 6.180 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -17.603 4.125 7.676 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.880 4.478 6.323 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -19.117 5.829 7.138 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -19.064 5.128 4.193 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -19.265 6.700 4.942 1.00 0.00 H new ATOM 509 N CYS A 35 -15.951 3.810 3.936 1.00 0.00 N ATOM 510 CA CYS A 35 -15.141 2.892 3.141 1.00 0.00 C ATOM 511 C CYS A 35 -13.696 3.371 3.076 1.00 0.00 C ATOM 512 O CYS A 35 -12.759 2.585 3.228 1.00 0.00 O ATOM 513 CB CYS A 35 -15.697 2.764 1.718 1.00 0.00 C ATOM 514 SG CYS A 35 -17.440 2.235 1.630 1.00 0.00 S ATOM 0 H CYS A 35 -16.712 4.256 3.424 1.00 0.00 H new ATOM 0 HA CYS A 35 -15.176 1.916 3.625 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -15.597 3.726 1.215 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -15.086 2.050 1.166 1.00 0.00 H new ATOM 519 N LYS A 36 -13.530 4.666 2.847 1.00 0.00 N ATOM 520 CA LYS A 36 -12.207 5.271 2.750 1.00 0.00 C ATOM 521 C LYS A 36 -11.458 5.178 4.079 1.00 0.00 C ATOM 522 O LYS A 36 -10.228 5.162 4.106 1.00 0.00 O ATOM 523 CB LYS A 36 -12.335 6.738 2.322 1.00 0.00 C ATOM 524 CG LYS A 36 -13.022 6.928 0.975 1.00 0.00 C ATOM 525 CD LYS A 36 -13.188 8.402 0.625 1.00 0.00 C ATOM 526 CE LYS A 36 -13.994 9.153 1.676 1.00 0.00 C ATOM 527 NZ LYS A 36 -13.117 9.802 2.691 1.00 0.00 N ATOM 0 H LYS A 36 -14.301 5.323 2.724 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.636 4.723 2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.893 7.282 3.084 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.341 7.182 2.278 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.440 6.434 0.197 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -14.000 6.447 0.995 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.205 8.863 0.524 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.682 8.491 -0.342 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.608 9.911 1.189 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.675 8.462 2.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.499 9.627 3.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.158 9.406 2.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.082 10.826 2.515 1.00 0.00 H new ATOM 541 N MET A 37 -12.202 5.144 5.180 1.00 0.00 N ATOM 542 CA MET A 37 -11.603 5.081 6.508 1.00 0.00 C ATOM 543 C MET A 37 -10.883 3.753 6.755 1.00 0.00 C ATOM 544 O MET A 37 -10.088 3.647 7.688 1.00 0.00 O ATOM 545 CB MET A 37 -12.685 5.288 7.571 1.00 0.00 C ATOM 546 CG MET A 37 -13.290 6.683 7.560 1.00 0.00 C ATOM 547 SD MET A 37 -14.461 6.944 8.905 1.00 0.00 S ATOM 548 CE MET A 37 -13.828 8.475 9.579 1.00 0.00 C ATOM 0 H MET A 37 -13.222 5.159 5.178 1.00 0.00 H new ATOM 0 HA MET A 37 -10.858 5.874 6.571 1.00 0.00 H new ATOM 0 HB2 MET A 37 -13.478 4.556 7.418 1.00 0.00 H new ATOM 0 HB3 MET A 37 -12.258 5.094 8.555 1.00 0.00 H new ATOM 0 HG2 MET A 37 -12.491 7.421 7.631 1.00 0.00 H new ATOM 0 HG3 MET A 37 -13.794 6.849 6.608 1.00 0.00 H new ATOM 0 HE1 MET A 37 -14.442 8.781 10.426 1.00 0.00 H new ATOM 0 HE2 MET A 37 -12.800 8.329 9.910 1.00 0.00 H new ATOM 0 HE3 MET A 37 -13.856 9.249 8.812 1.00 0.00 H new ATOM 558 N ILE A 38 -11.154 2.744 5.932 1.00 0.00 N ATOM 559 CA ILE A 38 -10.514 1.440 6.105 1.00 0.00 C ATOM 560 C ILE A 38 -9.167 1.372 5.383 1.00 0.00 C ATOM 561 O ILE A 38 -8.312 0.558 5.727 1.00 0.00 O ATOM 562 CB ILE A 38 -11.412 0.297 5.587 1.00 0.00 C ATOM 563 CG1 ILE A 38 -12.833 0.434 6.148 1.00 0.00 C ATOM 564 CG2 ILE A 38 -10.813 -1.058 5.950 1.00 0.00 C ATOM 565 CD1 ILE A 38 -12.945 0.091 7.618 1.00 0.00 C ATOM 0 H ILE A 38 -11.804 2.800 5.148 1.00 0.00 H new ATOM 0 HA ILE A 38 -10.353 1.317 7.176 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.468 0.364 4.501 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -13.177 1.457 5.996 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -13.501 -0.214 5.581 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -11.459 -1.853 5.577 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.825 -1.152 5.499 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -10.726 -1.139 7.034 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -13.979 0.212 7.942 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -12.633 -0.942 7.775 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -12.304 0.756 8.197 1.00 0.00 H new ATOM 577 N LYS A 39 -8.986 2.234 4.380 1.00 0.00 N ATOM 578 CA LYS A 39 -7.742 2.269 3.607 1.00 0.00 C ATOM 579 C LYS A 39 -6.500 2.352 4.508 1.00 0.00 C ATOM 580 O LYS A 39 -5.642 1.469 4.463 1.00 0.00 O ATOM 581 CB LYS A 39 -7.754 3.459 2.646 1.00 0.00 C ATOM 582 CG LYS A 39 -8.352 3.139 1.284 1.00 0.00 C ATOM 583 CD LYS A 39 -8.222 4.314 0.327 1.00 0.00 C ATOM 584 CE LYS A 39 -6.787 4.490 -0.145 1.00 0.00 C ATOM 585 NZ LYS A 39 -6.601 5.748 -0.917 1.00 0.00 N ATOM 0 H LYS A 39 -9.684 2.916 4.084 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.686 1.336 3.046 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.319 4.274 3.098 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.733 3.815 2.510 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.852 2.268 0.862 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.404 2.878 1.400 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.873 4.158 -0.533 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.559 5.226 0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.120 4.493 0.717 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.503 3.640 -0.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.609 5.827 -1.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.218 5.736 -1.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.846 6.562 -0.318 1.00 0.00 H new ATOM 599 N PRO A 40 -6.371 3.416 5.331 1.00 0.00 N ATOM 600 CA PRO A 40 -5.215 3.596 6.216 1.00 0.00 C ATOM 601 C PRO A 40 -4.859 2.337 6.996 1.00 0.00 C ATOM 602 O PRO A 40 -3.688 1.970 7.098 1.00 0.00 O ATOM 603 CB PRO A 40 -5.645 4.712 7.183 1.00 0.00 C ATOM 604 CG PRO A 40 -7.070 5.024 6.856 1.00 0.00 C ATOM 605 CD PRO A 40 -7.309 4.539 5.452 1.00 0.00 C ATOM 0 HA PRO A 40 -4.321 3.836 5.640 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.546 4.388 8.219 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.016 5.594 7.063 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.744 4.530 7.556 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.259 6.095 6.933 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.341 4.221 5.304 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.106 5.317 4.716 1.00 0.00 H new ATOM 613 N PHE A 41 -5.866 1.697 7.579 1.00 0.00 N ATOM 614 CA PHE A 41 -5.635 0.505 8.388 1.00 0.00 C ATOM 615 C PHE A 41 -5.462 -0.744 7.533 1.00 0.00 C ATOM 616 O PHE A 41 -4.710 -1.648 7.900 1.00 0.00 O ATOM 617 CB PHE A 41 -6.796 0.294 9.365 1.00 0.00 C ATOM 618 CG PHE A 41 -7.272 1.555 10.028 1.00 0.00 C ATOM 619 CD1 PHE A 41 -6.400 2.339 10.764 1.00 0.00 C ATOM 620 CD2 PHE A 41 -8.591 1.957 9.909 1.00 0.00 C ATOM 621 CE1 PHE A 41 -6.834 3.501 11.368 1.00 0.00 C ATOM 622 CE2 PHE A 41 -9.034 3.118 10.512 1.00 0.00 C ATOM 623 CZ PHE A 41 -8.154 3.891 11.243 1.00 0.00 C ATOM 0 H PHE A 41 -6.843 1.980 7.508 1.00 0.00 H new ATOM 0 HA PHE A 41 -4.709 0.667 8.940 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -7.630 -0.160 8.830 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.487 -0.414 10.134 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.368 2.037 10.867 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -9.282 1.355 9.338 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.143 4.105 11.938 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -10.066 3.420 10.412 1.00 0.00 H new ATOM 0 HZ PHE A 41 -8.497 4.799 11.716 1.00 0.00 H new ATOM 633 N PHE A 42 -6.139 -0.800 6.393 1.00 0.00 N ATOM 634 CA PHE A 42 -6.021 -1.952 5.513 1.00 0.00 C ATOM 635 C PHE A 42 -4.615 -2.022 4.923 1.00 0.00 C ATOM 636 O PHE A 42 -4.001 -3.089 4.874 1.00 0.00 O ATOM 637 CB PHE A 42 -7.075 -1.890 4.402 1.00 0.00 C ATOM 638 CG PHE A 42 -7.476 -3.241 3.875 1.00 0.00 C ATOM 639 CD1 PHE A 42 -8.417 -4.012 4.542 1.00 0.00 C ATOM 640 CD2 PHE A 42 -6.912 -3.737 2.711 1.00 0.00 C ATOM 641 CE1 PHE A 42 -8.786 -5.252 4.055 1.00 0.00 C ATOM 642 CE2 PHE A 42 -7.279 -4.975 2.220 1.00 0.00 C ATOM 643 CZ PHE A 42 -8.217 -5.734 2.892 1.00 0.00 C ATOM 0 H PHE A 42 -6.768 -0.069 6.060 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.196 -2.857 6.095 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.961 -1.380 4.781 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.688 -1.289 3.579 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.866 -3.640 5.451 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.177 -3.149 2.181 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.519 -5.844 4.583 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.832 -5.349 1.311 1.00 0.00 H new ATOM 0 HZ PHE A 42 -8.505 -6.702 2.509 1.00 0.00 H new ATOM 653 N HIS A 43 -4.114 -0.876 4.472 1.00 0.00 N ATOM 654 CA HIS A 43 -2.782 -0.797 3.880 1.00 0.00 C ATOM 655 C HIS A 43 -1.690 -1.063 4.915 1.00 0.00 C ATOM 656 O HIS A 43 -0.686 -1.709 4.613 1.00 0.00 O ATOM 657 CB HIS A 43 -2.576 0.575 3.235 1.00 0.00 C ATOM 658 CG HIS A 43 -1.964 0.501 1.869 1.00 0.00 C ATOM 659 ND1 HIS A 43 -2.624 0.869 0.720 1.00 0.00 N ATOM 660 CD2 HIS A 43 -0.742 0.057 1.475 1.00 0.00 C ATOM 661 CE1 HIS A 43 -1.809 0.634 -0.317 1.00 0.00 C ATOM 662 NE2 HIS A 43 -0.653 0.143 0.088 1.00 0.00 N ATOM 0 H HIS A 43 -4.612 0.014 4.505 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.709 -1.570 3.115 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.537 1.085 3.168 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.938 1.180 3.879 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.035 -0.305 2.132 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -2.065 0.822 -1.349 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.142 -0.119 -0.495 1.00 0.00 H new ATOM 670 N SER A 44 -1.888 -0.568 6.136 1.00 0.00 N ATOM 671 CA SER A 44 -0.910 -0.763 7.201 1.00 0.00 C ATOM 672 C SER A 44 -0.719 -2.249 7.485 1.00 0.00 C ATOM 673 O SER A 44 0.406 -2.722 7.653 1.00 0.00 O ATOM 674 CB SER A 44 -1.360 -0.033 8.471 1.00 0.00 C ATOM 675 OG SER A 44 -0.420 -0.200 9.519 1.00 0.00 O ATOM 0 H SER A 44 -2.712 -0.032 6.410 1.00 0.00 H new ATOM 0 HA SER A 44 0.044 -0.348 6.877 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.486 1.029 8.258 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.332 -0.413 8.787 1.00 0.00 H new ATOM 0 HG SER A 44 -0.731 0.277 10.317 1.00 0.00 H new ATOM 681 N LEU A 45 -1.826 -2.981 7.534 1.00 0.00 N ATOM 682 CA LEU A 45 -1.779 -4.415 7.796 1.00 0.00 C ATOM 683 C LEU A 45 -0.948 -5.121 6.731 1.00 0.00 C ATOM 684 O LEU A 45 -0.173 -6.026 7.033 1.00 0.00 O ATOM 685 CB LEU A 45 -3.194 -4.989 7.826 1.00 0.00 C ATOM 686 CG LEU A 45 -4.052 -4.527 9.001 1.00 0.00 C ATOM 687 CD1 LEU A 45 -5.523 -4.719 8.682 1.00 0.00 C ATOM 688 CD2 LEU A 45 -3.670 -5.287 10.264 1.00 0.00 C ATOM 0 H LEU A 45 -2.765 -2.607 7.396 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.311 -4.578 8.767 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.699 -4.720 6.898 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.128 -6.077 7.849 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.873 -3.466 9.173 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.125 -4.386 9.527 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.783 -4.135 7.799 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.719 -5.774 8.490 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.290 -4.948 11.094 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.826 -6.354 10.107 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.621 -5.104 10.496 1.00 0.00 H new ATOM 700 N SER A 46 -1.108 -4.689 5.487 1.00 0.00 N ATOM 701 CA SER A 46 -0.366 -5.264 4.372 1.00 0.00 C ATOM 702 C SER A 46 1.142 -5.234 4.635 1.00 0.00 C ATOM 703 O SER A 46 1.885 -6.071 4.116 1.00 0.00 O ATOM 704 CB SER A 46 -0.690 -4.503 3.085 1.00 0.00 C ATOM 705 OG SER A 46 -2.043 -4.074 3.074 1.00 0.00 O ATOM 0 H SER A 46 -1.748 -3.939 5.224 1.00 0.00 H new ATOM 0 HA SER A 46 -0.668 -6.306 4.263 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.031 -3.640 2.993 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.501 -5.142 2.223 1.00 0.00 H new ATOM 0 HG SER A 46 -2.606 -4.755 3.499 1.00 0.00 H new ATOM 711 N GLU A 47 1.590 -4.272 5.442 1.00 0.00 N ATOM 712 CA GLU A 47 3.010 -4.144 5.768 1.00 0.00 C ATOM 713 C GLU A 47 3.380 -4.987 6.984 1.00 0.00 C ATOM 714 O GLU A 47 4.544 -5.340 7.172 1.00 0.00 O ATOM 715 CB GLU A 47 3.363 -2.681 6.031 1.00 0.00 C ATOM 716 CG GLU A 47 3.592 -1.871 4.768 1.00 0.00 C ATOM 717 CD GLU A 47 4.882 -2.235 4.062 1.00 0.00 C ATOM 718 OE1 GLU A 47 5.959 -1.828 4.545 1.00 0.00 O ATOM 719 OE2 GLU A 47 4.815 -2.926 3.024 1.00 0.00 O ATOM 0 H GLU A 47 0.992 -3.572 5.881 1.00 0.00 H new ATOM 0 HA GLU A 47 3.580 -4.508 4.913 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.560 -2.221 6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.261 -2.638 6.647 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.755 -2.024 4.087 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.608 -0.811 5.020 1.00 0.00 H new ATOM 726 N LYS A 48 2.387 -5.319 7.804 1.00 0.00 N ATOM 727 CA LYS A 48 2.630 -6.133 8.988 1.00 0.00 C ATOM 728 C LYS A 48 2.377 -7.598 8.659 1.00 0.00 C ATOM 729 O LYS A 48 2.896 -8.495 9.323 1.00 0.00 O ATOM 730 CB LYS A 48 1.733 -5.692 10.146 1.00 0.00 C ATOM 731 CG LYS A 48 2.038 -6.393 11.461 1.00 0.00 C ATOM 732 CD LYS A 48 0.913 -6.202 12.464 1.00 0.00 C ATOM 733 CE LYS A 48 -0.227 -7.179 12.209 1.00 0.00 C ATOM 734 NZ LYS A 48 0.113 -8.565 12.641 1.00 0.00 N ATOM 0 H LYS A 48 1.415 -5.039 7.671 1.00 0.00 H new ATOM 0 HA LYS A 48 3.668 -6.003 9.295 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.839 -4.616 10.286 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.693 -5.878 9.879 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.191 -7.457 11.281 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.968 -6.003 11.876 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.296 -6.343 13.475 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.539 -5.180 12.404 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.117 -6.843 12.740 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.471 -7.181 11.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.744 -9.154 12.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.822 -8.966 11.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.499 -8.543 13.607 1.00 0.00 H new ATOM 748 N TYR A 49 1.598 -7.834 7.611 1.00 0.00 N ATOM 749 CA TYR A 49 1.300 -9.186 7.176 1.00 0.00 C ATOM 750 C TYR A 49 2.240 -9.588 6.052 1.00 0.00 C ATOM 751 O TYR A 49 2.015 -9.249 4.890 1.00 0.00 O ATOM 752 CB TYR A 49 -0.145 -9.294 6.705 1.00 0.00 C ATOM 753 CG TYR A 49 -1.113 -9.607 7.822 1.00 0.00 C ATOM 754 CD1 TYR A 49 -1.589 -8.603 8.656 1.00 0.00 C ATOM 755 CD2 TYR A 49 -1.544 -10.911 8.049 1.00 0.00 C ATOM 756 CE1 TYR A 49 -2.467 -8.888 9.684 1.00 0.00 C ATOM 757 CE2 TYR A 49 -2.422 -11.202 9.076 1.00 0.00 C ATOM 758 CZ TYR A 49 -2.881 -10.187 9.890 1.00 0.00 C ATOM 759 OH TYR A 49 -3.759 -10.471 10.912 1.00 0.00 O ATOM 0 H TYR A 49 1.162 -7.103 7.048 1.00 0.00 H new ATOM 0 HA TYR A 49 1.440 -9.859 8.022 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.437 -8.357 6.232 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.215 -10.071 5.944 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.268 -7.584 8.498 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.187 -11.707 7.413 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.828 -8.096 10.324 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.747 -12.219 9.240 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.951 -11.432 10.921 1.00 0.00 H new ATOM 769 N SER A 50 3.300 -10.301 6.404 1.00 0.00 N ATOM 770 CA SER A 50 4.276 -10.736 5.419 1.00 0.00 C ATOM 771 C SER A 50 3.982 -12.161 4.960 1.00 0.00 C ATOM 772 O SER A 50 4.894 -12.977 4.820 1.00 0.00 O ATOM 773 CB SER A 50 5.690 -10.642 5.997 1.00 0.00 C ATOM 774 OG SER A 50 6.664 -10.732 4.972 1.00 0.00 O ATOM 0 H SER A 50 3.505 -10.589 7.361 1.00 0.00 H new ATOM 0 HA SER A 50 4.208 -10.078 4.553 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.806 -9.700 6.532 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.844 -11.441 6.722 1.00 0.00 H new ATOM 0 HG SER A 50 6.530 -11.560 4.465 1.00 0.00 H new ATOM 780 N ASN A 51 2.706 -12.446 4.700 1.00 0.00 N ATOM 781 CA ASN A 51 2.295 -13.768 4.231 1.00 0.00 C ATOM 782 C ASN A 51 0.968 -13.708 3.466 1.00 0.00 C ATOM 783 O ASN A 51 0.352 -14.743 3.213 1.00 0.00 O ATOM 784 CB ASN A 51 2.154 -14.725 5.415 1.00 0.00 C ATOM 785 CG ASN A 51 2.281 -16.180 5.007 1.00 0.00 C ATOM 786 OD1 ASN A 51 3.138 -16.909 5.708 1.00 0.00 O flip ATOM 787 ND2 ASN A 51 1.614 -16.644 4.082 1.00 0.00 N flip ATOM 0 H ASN A 51 1.941 -11.780 4.806 1.00 0.00 H new ATOM 0 HA ASN A 51 3.066 -14.130 3.551 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.916 -14.492 6.158 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.186 -14.568 5.891 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.966 -16.045 3.570 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.709 -17.627 3.828 1.00 0.00 H new ATOM 794 N VAL A 52 0.509 -12.501 3.133 1.00 0.00 N ATOM 795 CA VAL A 52 -0.760 -12.332 2.430 1.00 0.00 C ATOM 796 C VAL A 52 -0.691 -11.174 1.442 1.00 0.00 C ATOM 797 O VAL A 52 0.142 -10.280 1.587 1.00 0.00 O ATOM 798 CB VAL A 52 -1.914 -12.079 3.425 1.00 0.00 C ATOM 799 CG1 VAL A 52 -1.996 -13.197 4.446 1.00 0.00 C ATOM 800 CG2 VAL A 52 -1.739 -10.749 4.137 1.00 0.00 C ATOM 0 H VAL A 52 0.997 -11.629 3.339 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.951 -13.256 1.884 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.842 -12.050 2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.815 -12.999 5.137 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.173 -14.144 3.935 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.059 -13.253 5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.565 -10.597 4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.798 -10.752 4.688 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.728 -9.943 3.404 1.00 0.00 H new ATOM 810 N ILE A 53 -1.560 -11.190 0.437 1.00 0.00 N ATOM 811 CA ILE A 53 -1.579 -10.130 -0.560 1.00 0.00 C ATOM 812 C ILE A 53 -2.788 -9.218 -0.353 1.00 0.00 C ATOM 813 O ILE A 53 -3.938 -9.644 -0.474 1.00 0.00 O ATOM 814 CB ILE A 53 -1.536 -10.715 -2.005 1.00 0.00 C ATOM 815 CG1 ILE A 53 -0.747 -9.789 -2.933 1.00 0.00 C ATOM 816 CG2 ILE A 53 -2.923 -10.995 -2.575 1.00 0.00 C ATOM 817 CD1 ILE A 53 0.745 -9.830 -2.682 1.00 0.00 C ATOM 0 H ILE A 53 -2.256 -11.922 0.293 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.682 -9.524 -0.433 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.028 -11.677 -1.940 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.943 -10.068 -3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.103 -8.767 -2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.827 -11.400 -3.582 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.438 -11.716 -1.941 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.496 -10.068 -2.610 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.249 -9.152 -3.371 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.950 -9.523 -1.656 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.112 -10.844 -2.837 1.00 0.00 H new ATOM 829 N PHE A 54 -2.510 -7.962 -0.017 1.00 0.00 N ATOM 830 CA PHE A 54 -3.554 -6.971 0.228 1.00 0.00 C ATOM 831 C PHE A 54 -3.766 -6.126 -1.017 1.00 0.00 C ATOM 832 O PHE A 54 -2.866 -5.387 -1.418 1.00 0.00 O ATOM 833 CB PHE A 54 -3.138 -6.016 1.354 1.00 0.00 C ATOM 834 CG PHE A 54 -3.500 -6.419 2.762 1.00 0.00 C ATOM 835 CD1 PHE A 54 -3.044 -7.602 3.332 1.00 0.00 C ATOM 836 CD2 PHE A 54 -4.286 -5.572 3.531 1.00 0.00 C ATOM 837 CE1 PHE A 54 -3.373 -7.922 4.642 1.00 0.00 C ATOM 838 CE2 PHE A 54 -4.617 -5.890 4.831 1.00 0.00 C ATOM 839 CZ PHE A 54 -4.160 -7.065 5.389 1.00 0.00 C ATOM 0 H PHE A 54 -1.561 -7.604 0.093 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.463 -7.508 0.500 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.057 -5.886 1.306 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.585 -5.042 1.155 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.430 -8.276 2.752 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.645 -4.647 3.103 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.014 -8.842 5.079 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.233 -5.220 5.411 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.416 -7.316 6.408 1.00 0.00 H new ATOM 849 N LEU A 55 -4.946 -6.198 -1.622 1.00 0.00 N ATOM 850 CA LEU A 55 -5.206 -5.394 -2.802 1.00 0.00 C ATOM 851 C LEU A 55 -6.482 -4.588 -2.659 1.00 0.00 C ATOM 852 O LEU A 55 -7.243 -4.764 -1.706 1.00 0.00 O ATOM 853 CB LEU A 55 -5.201 -6.246 -4.075 1.00 0.00 C ATOM 854 CG LEU A 55 -6.553 -6.640 -4.680 1.00 0.00 C ATOM 855 CD1 LEU A 55 -6.850 -5.768 -5.890 1.00 0.00 C ATOM 856 CD2 LEU A 55 -6.539 -8.111 -5.083 1.00 0.00 C ATOM 0 H LEU A 55 -5.719 -6.791 -1.321 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.390 -4.678 -2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.639 -5.706 -4.837 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.650 -7.162 -3.862 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.333 -6.490 -3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.812 -6.052 -6.316 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.883 -4.722 -5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.068 -5.904 -6.637 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.504 -8.380 -5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.755 -8.279 -5.821 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.348 -8.727 -4.204 1.00 0.00 H new ATOM 868 N GLU A 56 -6.668 -3.650 -3.569 1.00 0.00 N ATOM 869 CA GLU A 56 -7.804 -2.755 -3.509 1.00 0.00 C ATOM 870 C GLU A 56 -8.704 -2.851 -4.729 1.00 0.00 C ATOM 871 O GLU A 56 -8.265 -2.617 -5.854 1.00 0.00 O ATOM 872 CB GLU A 56 -7.267 -1.341 -3.414 1.00 0.00 C ATOM 873 CG GLU A 56 -8.089 -0.432 -2.525 1.00 0.00 C ATOM 874 CD GLU A 56 -7.526 -0.331 -1.123 1.00 0.00 C ATOM 875 OE1 GLU A 56 -6.417 0.222 -0.967 1.00 0.00 O ATOM 876 OE2 GLU A 56 -8.191 -0.812 -0.181 1.00 0.00 O ATOM 0 H GLU A 56 -6.044 -3.489 -4.360 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.408 -3.033 -2.645 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.245 -1.375 -3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.223 -0.911 -4.415 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.132 0.563 -2.968 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.112 -0.804 -2.477 1.00 0.00 H new ATOM 883 N VAL A 57 -9.972 -3.176 -4.508 1.00 0.00 N ATOM 884 CA VAL A 57 -10.917 -3.266 -5.613 1.00 0.00 C ATOM 885 C VAL A 57 -12.057 -2.271 -5.451 1.00 0.00 C ATOM 886 O VAL A 57 -12.817 -2.324 -4.489 1.00 0.00 O ATOM 887 CB VAL A 57 -11.515 -4.675 -5.776 1.00 0.00 C ATOM 888 CG1 VAL A 57 -11.992 -4.853 -7.205 1.00 0.00 C ATOM 889 CG2 VAL A 57 -10.511 -5.758 -5.408 1.00 0.00 C ATOM 0 H VAL A 57 -10.365 -3.379 -3.589 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.341 -3.031 -6.508 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.358 -4.774 -5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.416 -5.850 -7.325 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -12.752 -4.105 -7.431 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.150 -4.732 -7.887 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.970 -6.738 -5.536 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.637 -5.679 -6.055 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.206 -5.633 -4.369 1.00 0.00 H new ATOM 899 N ASP A 58 -12.173 -1.371 -6.412 1.00 0.00 N ATOM 900 CA ASP A 58 -13.227 -0.370 -6.404 1.00 0.00 C ATOM 901 C ASP A 58 -14.355 -0.826 -7.320 1.00 0.00 C ATOM 902 O ASP A 58 -14.140 -1.062 -8.507 1.00 0.00 O ATOM 903 CB ASP A 58 -12.674 0.979 -6.863 1.00 0.00 C ATOM 904 CG ASP A 58 -13.738 2.056 -6.906 1.00 0.00 C ATOM 905 OD1 ASP A 58 -14.705 1.963 -6.125 1.00 0.00 O ATOM 906 OD2 ASP A 58 -13.604 2.991 -7.722 1.00 0.00 O ATOM 0 H ASP A 58 -11.545 -1.313 -7.214 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.613 -0.252 -5.392 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.875 1.289 -6.190 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.232 0.869 -7.853 1.00 0.00 H new ATOM 911 N VAL A 59 -15.550 -0.974 -6.762 1.00 0.00 N ATOM 912 CA VAL A 59 -16.693 -1.429 -7.539 1.00 0.00 C ATOM 913 C VAL A 59 -16.996 -0.495 -8.708 1.00 0.00 C ATOM 914 O VAL A 59 -17.654 -0.891 -9.671 1.00 0.00 O ATOM 915 CB VAL A 59 -17.949 -1.595 -6.661 1.00 0.00 C ATOM 916 CG1 VAL A 59 -18.389 -0.258 -6.070 1.00 0.00 C ATOM 917 CG2 VAL A 59 -19.070 -2.229 -7.469 1.00 0.00 C ATOM 0 H VAL A 59 -15.751 -0.786 -5.780 1.00 0.00 H new ATOM 0 HA VAL A 59 -16.421 -2.404 -7.942 1.00 0.00 H new ATOM 0 HB VAL A 59 -17.703 -2.255 -5.829 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -19.277 -0.406 -5.456 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -17.586 0.150 -5.455 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -18.618 0.439 -6.877 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -19.953 -2.342 -6.840 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -19.310 -1.592 -8.320 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -18.752 -3.208 -7.827 1.00 0.00 H new ATOM 927 N ASP A 60 -16.499 0.733 -8.638 1.00 0.00 N ATOM 928 CA ASP A 60 -16.706 1.692 -9.714 1.00 0.00 C ATOM 929 C ASP A 60 -16.046 1.191 -10.993 1.00 0.00 C ATOM 930 O ASP A 60 -16.595 1.319 -12.088 1.00 0.00 O ATOM 931 CB ASP A 60 -16.136 3.055 -9.333 1.00 0.00 C ATOM 932 CG ASP A 60 -16.987 4.190 -9.860 1.00 0.00 C ATOM 933 OD1 ASP A 60 -18.205 4.189 -9.588 1.00 0.00 O ATOM 934 OD2 ASP A 60 -16.440 5.076 -10.548 1.00 0.00 O ATOM 0 H ASP A 60 -15.953 1.087 -7.852 1.00 0.00 H new ATOM 0 HA ASP A 60 -17.778 1.798 -9.883 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -16.065 3.128 -8.248 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -15.123 3.148 -9.726 1.00 0.00 H new ATOM 939 N ASP A 61 -14.859 0.613 -10.834 1.00 0.00 N ATOM 940 CA ASP A 61 -14.103 0.072 -11.962 1.00 0.00 C ATOM 941 C ASP A 61 -14.305 -1.438 -12.056 1.00 0.00 C ATOM 942 O ASP A 61 -14.367 -2.005 -13.148 1.00 0.00 O ATOM 943 CB ASP A 61 -12.615 0.407 -11.819 1.00 0.00 C ATOM 944 CG ASP A 61 -12.373 1.895 -11.647 1.00 0.00 C ATOM 945 OD1 ASP A 61 -12.611 2.652 -12.612 1.00 0.00 O ATOM 946 OD2 ASP A 61 -11.946 2.303 -10.547 1.00 0.00 O ATOM 0 H ASP A 61 -14.397 0.506 -9.931 1.00 0.00 H new ATOM 0 HA ASP A 61 -14.471 0.530 -12.880 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.206 -0.127 -10.961 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.079 0.054 -12.700 1.00 0.00 H new ATOM 951 N ALA A 62 -14.413 -2.080 -10.899 1.00 0.00 N ATOM 952 CA ALA A 62 -14.619 -3.517 -10.836 1.00 0.00 C ATOM 953 C ALA A 62 -16.104 -3.843 -10.704 1.00 0.00 C ATOM 954 O ALA A 62 -16.503 -4.666 -9.874 1.00 0.00 O ATOM 955 CB ALA A 62 -13.829 -4.104 -9.673 1.00 0.00 C ATOM 0 H ALA A 62 -14.361 -1.623 -9.989 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.260 -3.965 -11.762 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -13.988 -5.182 -9.632 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.768 -3.899 -9.814 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.165 -3.652 -8.740 1.00 0.00 H new ATOM 961 N GLN A 63 -16.923 -3.185 -11.520 1.00 0.00 N ATOM 962 CA GLN A 63 -18.364 -3.398 -11.487 1.00 0.00 C ATOM 963 C GLN A 63 -18.744 -4.760 -12.070 1.00 0.00 C ATOM 964 O GLN A 63 -19.886 -5.194 -11.942 1.00 0.00 O ATOM 965 CB GLN A 63 -19.090 -2.285 -12.248 1.00 0.00 C ATOM 966 CG GLN A 63 -20.543 -2.121 -11.832 1.00 0.00 C ATOM 967 CD GLN A 63 -21.455 -1.792 -12.995 1.00 0.00 C ATOM 968 OE1 GLN A 63 -21.088 -1.036 -13.895 1.00 0.00 O ATOM 969 NE2 GLN A 63 -22.657 -2.360 -12.984 1.00 0.00 N ATOM 0 H GLN A 63 -16.613 -2.501 -12.210 1.00 0.00 H new ATOM 0 HA GLN A 63 -18.673 -3.378 -10.442 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -18.565 -1.343 -12.088 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -19.047 -2.497 -13.316 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -20.886 -3.040 -11.357 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -20.615 -1.330 -11.085 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -22.921 -2.980 -12.219 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -23.315 -2.175 -13.741 1.00 0.00 H new ATOM 978 N ASP A 64 -17.789 -5.432 -12.714 1.00 0.00 N ATOM 979 CA ASP A 64 -18.060 -6.738 -13.309 1.00 0.00 C ATOM 980 C ASP A 64 -17.701 -7.875 -12.349 1.00 0.00 C ATOM 981 O ASP A 64 -18.212 -8.990 -12.482 1.00 0.00 O ATOM 982 CB ASP A 64 -17.285 -6.889 -14.621 1.00 0.00 C ATOM 983 CG ASP A 64 -18.131 -6.560 -15.841 1.00 0.00 C ATOM 984 OD1 ASP A 64 -18.871 -5.554 -15.800 1.00 0.00 O ATOM 985 OD2 ASP A 64 -18.047 -7.305 -16.841 1.00 0.00 O ATOM 0 H ASP A 64 -16.833 -5.098 -12.835 1.00 0.00 H new ATOM 0 HA ASP A 64 -19.129 -6.799 -13.514 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -16.413 -6.235 -14.601 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -16.915 -7.911 -14.705 1.00 0.00 H new ATOM 990 N VAL A 65 -16.837 -7.594 -11.373 1.00 0.00 N ATOM 991 CA VAL A 65 -16.445 -8.610 -10.401 1.00 0.00 C ATOM 992 C VAL A 65 -17.513 -8.764 -9.321 1.00 0.00 C ATOM 993 O VAL A 65 -17.886 -9.884 -8.970 1.00 0.00 O ATOM 994 CB VAL A 65 -15.066 -8.325 -9.753 1.00 0.00 C ATOM 995 CG1 VAL A 65 -13.937 -8.748 -10.682 1.00 0.00 C ATOM 996 CG2 VAL A 65 -14.924 -6.862 -9.374 1.00 0.00 C ATOM 0 H VAL A 65 -16.401 -6.682 -11.237 1.00 0.00 H new ATOM 0 HA VAL A 65 -16.351 -9.545 -10.953 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.002 -8.915 -8.838 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -12.978 -8.539 -10.208 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -14.015 -9.816 -10.887 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.008 -8.193 -11.617 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -13.946 -6.696 -8.922 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -15.021 -6.244 -10.267 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -15.703 -6.594 -8.661 1.00 0.00 H new ATOM 1006 N ALA A 66 -18.001 -7.644 -8.777 1.00 0.00 N ATOM 1007 CA ALA A 66 -19.020 -7.680 -7.725 1.00 0.00 C ATOM 1008 C ALA A 66 -20.212 -8.569 -8.108 1.00 0.00 C ATOM 1009 O ALA A 66 -20.537 -9.520 -7.396 1.00 0.00 O ATOM 1010 CB ALA A 66 -19.496 -6.264 -7.430 1.00 0.00 C ATOM 0 H ALA A 66 -17.708 -6.705 -9.047 1.00 0.00 H new ATOM 0 HA ALA A 66 -18.567 -8.113 -6.833 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -20.254 -6.291 -6.647 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -18.653 -5.658 -7.098 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -19.922 -5.828 -8.333 1.00 0.00 H new ATOM 1016 N PRO A 67 -20.881 -8.266 -9.235 1.00 0.00 N ATOM 1017 CA PRO A 67 -22.036 -9.044 -9.704 1.00 0.00 C ATOM 1018 C PRO A 67 -21.721 -10.531 -9.797 1.00 0.00 C ATOM 1019 O PRO A 67 -22.601 -11.377 -9.636 1.00 0.00 O ATOM 1020 CB PRO A 67 -22.314 -8.463 -11.093 1.00 0.00 C ATOM 1021 CG PRO A 67 -21.766 -7.082 -11.038 1.00 0.00 C ATOM 1022 CD PRO A 67 -20.569 -7.147 -10.139 1.00 0.00 C ATOM 0 HA PRO A 67 -22.885 -8.973 -9.024 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -21.830 -9.051 -11.873 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -23.381 -8.458 -11.314 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -21.488 -6.733 -12.032 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -22.507 -6.383 -10.650 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -19.653 -7.329 -10.702 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -20.427 -6.215 -9.591 1.00 0.00 H new ATOM 1030 N LYS A 68 -20.452 -10.838 -10.039 1.00 0.00 N ATOM 1031 CA LYS A 68 -20.001 -12.219 -10.134 1.00 0.00 C ATOM 1032 C LYS A 68 -19.894 -12.834 -8.740 1.00 0.00 C ATOM 1033 O LYS A 68 -19.987 -14.051 -8.581 1.00 0.00 O ATOM 1034 CB LYS A 68 -18.645 -12.298 -10.848 1.00 0.00 C ATOM 1035 CG LYS A 68 -18.741 -12.326 -12.368 1.00 0.00 C ATOM 1036 CD LYS A 68 -17.362 -12.383 -13.005 1.00 0.00 C ATOM 1037 CE LYS A 68 -17.428 -12.863 -14.445 1.00 0.00 C ATOM 1038 NZ LYS A 68 -18.245 -11.953 -15.293 1.00 0.00 N ATOM 0 H LYS A 68 -19.715 -10.145 -10.173 1.00 0.00 H new ATOM 0 HA LYS A 68 -20.732 -12.780 -10.716 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -18.039 -11.443 -10.549 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -18.121 -13.193 -10.512 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -19.326 -13.191 -12.682 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -19.270 -11.439 -12.718 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.904 -11.394 -12.972 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.722 -13.050 -12.428 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.419 -12.931 -14.852 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -17.852 -13.867 -14.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.184 -12.256 -16.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -19.237 -11.986 -14.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.886 -10.981 -15.205 1.00 0.00 H new ATOM 1052 N TYR A 69 -19.690 -11.983 -7.732 1.00 0.00 N ATOM 1053 CA TYR A 69 -19.552 -12.435 -6.345 1.00 0.00 C ATOM 1054 C TYR A 69 -20.794 -12.129 -5.505 1.00 0.00 C ATOM 1055 O TYR A 69 -20.864 -12.498 -4.330 1.00 0.00 O ATOM 1056 CB TYR A 69 -18.352 -11.750 -5.714 1.00 0.00 C ATOM 1057 CG TYR A 69 -17.034 -12.284 -6.211 1.00 0.00 C ATOM 1058 CD1 TYR A 69 -16.702 -13.624 -6.058 1.00 0.00 C ATOM 1059 CD2 TYR A 69 -16.132 -11.450 -6.854 1.00 0.00 C ATOM 1060 CE1 TYR A 69 -15.503 -14.117 -6.535 1.00 0.00 C ATOM 1061 CE2 TYR A 69 -14.930 -11.933 -7.329 1.00 0.00 C ATOM 1062 CZ TYR A 69 -14.619 -13.267 -7.169 1.00 0.00 C ATOM 1063 OH TYR A 69 -13.425 -13.753 -7.647 1.00 0.00 O ATOM 0 H TYR A 69 -19.616 -10.973 -7.851 1.00 0.00 H new ATOM 0 HA TYR A 69 -19.421 -13.517 -6.365 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -18.403 -10.681 -5.918 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -18.401 -11.871 -4.632 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -17.391 -14.290 -5.559 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -16.374 -10.406 -6.985 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -15.258 -15.162 -6.413 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -14.236 -11.270 -7.824 1.00 0.00 H new ATOM 0 HH TYR A 69 -12.807 -13.894 -6.900 1.00 0.00 H new ATOM 1073 N GLY A 70 -21.772 -11.474 -6.113 1.00 0.00 N ATOM 1074 CA GLY A 70 -23.006 -11.143 -5.414 1.00 0.00 C ATOM 1075 C GLY A 70 -22.827 -10.149 -4.278 1.00 0.00 C ATOM 1076 O GLY A 70 -23.512 -10.247 -3.259 1.00 0.00 O ATOM 0 H GLY A 70 -21.736 -11.162 -7.084 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -23.719 -10.735 -6.131 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -23.443 -12.059 -5.016 1.00 0.00 H new ATOM 1080 N ILE A 71 -21.931 -9.183 -4.445 1.00 0.00 N ATOM 1081 CA ILE A 71 -21.714 -8.176 -3.409 1.00 0.00 C ATOM 1082 C ILE A 71 -22.831 -7.133 -3.436 1.00 0.00 C ATOM 1083 O ILE A 71 -23.209 -6.644 -4.502 1.00 0.00 O ATOM 1084 CB ILE A 71 -20.354 -7.463 -3.573 1.00 0.00 C ATOM 1085 CG1 ILE A 71 -19.212 -8.476 -3.525 1.00 0.00 C ATOM 1086 CG2 ILE A 71 -20.166 -6.411 -2.487 1.00 0.00 C ATOM 1087 CD1 ILE A 71 -17.871 -7.886 -3.905 1.00 0.00 C ATOM 0 H ILE A 71 -21.349 -9.074 -5.276 1.00 0.00 H new ATOM 0 HA ILE A 71 -21.716 -8.698 -2.452 1.00 0.00 H new ATOM 0 HB ILE A 71 -20.343 -6.967 -4.544 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -19.146 -8.891 -2.519 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -19.441 -9.303 -4.197 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -19.202 -5.920 -2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -20.963 -5.671 -2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -20.198 -6.889 -1.508 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -17.105 -8.659 -3.850 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -17.920 -7.496 -4.921 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -17.621 -7.078 -3.218 1.00 0.00 H new ATOM 1099 N ARG A 72 -23.361 -6.803 -2.264 1.00 0.00 N ATOM 1100 CA ARG A 72 -24.437 -5.825 -2.167 1.00 0.00 C ATOM 1101 C ARG A 72 -24.401 -5.088 -0.829 1.00 0.00 C ATOM 1102 O ARG A 72 -25.393 -5.050 -0.100 1.00 0.00 O ATOM 1103 CB ARG A 72 -25.793 -6.506 -2.360 1.00 0.00 C ATOM 1104 CG ARG A 72 -26.950 -5.526 -2.438 1.00 0.00 C ATOM 1105 CD ARG A 72 -27.316 -5.223 -3.880 1.00 0.00 C ATOM 1106 NE ARG A 72 -26.672 -4.003 -4.362 1.00 0.00 N ATOM 1107 CZ ARG A 72 -27.023 -3.369 -5.479 1.00 0.00 C ATOM 1108 NH1 ARG A 72 -28.005 -3.842 -6.236 1.00 0.00 N ATOM 1109 NH2 ARG A 72 -26.384 -2.264 -5.846 1.00 0.00 N ATOM 0 H ARG A 72 -23.064 -7.197 -1.371 1.00 0.00 H new ATOM 0 HA ARG A 72 -24.293 -5.090 -2.959 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -25.767 -7.100 -3.273 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -25.966 -7.197 -1.535 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -27.815 -5.939 -1.919 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -26.682 -4.602 -1.926 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -27.024 -6.061 -4.512 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -28.398 -5.121 -3.966 1.00 0.00 H new ATOM 0 HE ARG A 72 -25.908 -3.614 -3.810 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -28.494 -4.694 -5.963 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -28.271 -3.353 -7.091 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -25.623 -1.900 -5.272 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -26.654 -1.779 -6.702 1.00 0.00 H new ATOM 1123 N GLY A 73 -23.249 -4.499 -0.517 1.00 0.00 N ATOM 1124 CA GLY A 73 -23.102 -3.762 0.727 1.00 0.00 C ATOM 1125 C GLY A 73 -21.663 -3.370 1.016 1.00 0.00 C ATOM 1126 O GLY A 73 -20.850 -4.210 1.403 1.00 0.00 O ATOM 0 H GLY A 73 -22.415 -4.519 -1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -23.717 -2.863 0.685 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -23.480 -4.369 1.550 1.00 0.00 H new ATOM 1130 N ILE A 74 -21.351 -2.087 0.830 1.00 0.00 N ATOM 1131 CA ILE A 74 -20.004 -1.570 1.072 1.00 0.00 C ATOM 1132 C ILE A 74 -19.944 -0.810 2.393 1.00 0.00 C ATOM 1133 O ILE A 74 -20.958 -0.282 2.849 1.00 0.00 O ATOM 1134 CB ILE A 74 -19.551 -0.625 -0.060 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -20.611 0.440 -0.331 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -19.254 -1.408 -1.326 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -20.044 1.697 -0.953 1.00 0.00 C ATOM 0 H ILE A 74 -22.017 -1.384 0.511 1.00 0.00 H new ATOM 0 HA ILE A 74 -19.336 -2.431 1.110 1.00 0.00 H new ATOM 0 HB ILE A 74 -18.636 -0.127 0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -21.372 0.026 -0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -21.107 0.697 0.605 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -18.936 -0.723 -2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -18.460 -2.129 -1.130 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -20.152 -1.936 -1.646 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -20.847 2.414 -1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -19.303 2.132 -0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -19.573 1.451 -1.905 1.00 0.00 H new ATOM 1149 N PRO A 75 -18.756 -0.733 3.035 1.00 0.00 N ATOM 1150 CA PRO A 75 -17.509 -1.338 2.542 1.00 0.00 C ATOM 1151 C PRO A 75 -17.440 -2.839 2.799 1.00 0.00 C ATOM 1152 O PRO A 75 -17.382 -3.278 3.950 1.00 0.00 O ATOM 1153 CB PRO A 75 -16.434 -0.623 3.363 1.00 0.00 C ATOM 1154 CG PRO A 75 -17.109 -0.290 4.650 1.00 0.00 C ATOM 1155 CD PRO A 75 -18.553 -0.030 4.316 1.00 0.00 C ATOM 0 HA PRO A 75 -17.405 -1.228 1.463 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -15.566 -1.263 3.524 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -16.079 0.275 2.857 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -17.016 -1.111 5.361 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -16.653 0.586 5.113 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -19.217 -0.413 5.091 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -18.755 1.037 4.222 1.00 0.00 H new ATOM 1163 N THR A 76 -17.432 -3.624 1.723 1.00 0.00 N ATOM 1164 CA THR A 76 -17.354 -5.077 1.834 1.00 0.00 C ATOM 1165 C THR A 76 -15.903 -5.555 1.875 1.00 0.00 C ATOM 1166 O THR A 76 -15.065 -5.104 1.093 1.00 0.00 O ATOM 1167 CB THR A 76 -18.080 -5.746 0.657 1.00 0.00 C ATOM 1168 OG1 THR A 76 -18.899 -4.816 -0.027 1.00 0.00 O ATOM 1169 CG2 THR A 76 -18.957 -6.912 1.070 1.00 0.00 C ATOM 0 H THR A 76 -17.479 -3.277 0.765 1.00 0.00 H new ATOM 0 HA THR A 76 -17.839 -5.360 2.768 1.00 0.00 H new ATOM 0 HB THR A 76 -17.285 -6.122 0.012 1.00 0.00 H new ATOM 0 HG1 THR A 76 -19.809 -4.853 0.335 1.00 0.00 H new ATOM 0 HG21 THR A 76 -19.438 -7.336 0.188 1.00 0.00 H new ATOM 0 HG22 THR A 76 -18.345 -7.675 1.551 1.00 0.00 H new ATOM 0 HG23 THR A 76 -19.719 -6.565 1.768 1.00 0.00 H new ATOM 1177 N LEU A 77 -15.623 -6.495 2.764 1.00 0.00 N ATOM 1178 CA LEU A 77 -14.288 -7.062 2.874 1.00 0.00 C ATOM 1179 C LEU A 77 -14.308 -8.475 2.302 1.00 0.00 C ATOM 1180 O LEU A 77 -15.084 -9.324 2.745 1.00 0.00 O ATOM 1181 CB LEU A 77 -13.812 -7.061 4.333 1.00 0.00 C ATOM 1182 CG LEU A 77 -12.533 -6.255 4.600 1.00 0.00 C ATOM 1183 CD1 LEU A 77 -12.869 -4.811 4.942 1.00 0.00 C ATOM 1184 CD2 LEU A 77 -11.725 -6.891 5.723 1.00 0.00 C ATOM 0 H LEU A 77 -16.302 -6.881 3.420 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.584 -6.453 2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -14.611 -6.664 4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -13.645 -8.092 4.645 1.00 0.00 H new ATOM 0 HG LEU A 77 -11.930 -6.262 3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.949 -4.257 5.128 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -13.405 -4.355 4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.494 -4.784 5.834 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.822 -6.306 5.898 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.324 -6.915 6.633 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -11.450 -7.908 5.443 1.00 0.00 H new ATOM 1196 N LEU A 78 -13.484 -8.712 1.284 1.00 0.00 N ATOM 1197 CA LEU A 78 -13.454 -10.016 0.626 1.00 0.00 C ATOM 1198 C LEU A 78 -12.140 -10.747 0.874 1.00 0.00 C ATOM 1199 O LEU A 78 -11.054 -10.168 0.789 1.00 0.00 O ATOM 1200 CB LEU A 78 -13.674 -9.851 -0.889 1.00 0.00 C ATOM 1201 CG LEU A 78 -15.134 -9.746 -1.360 1.00 0.00 C ATOM 1202 CD1 LEU A 78 -15.222 -9.921 -2.872 1.00 0.00 C ATOM 1203 CD2 LEU A 78 -16.022 -10.764 -0.649 1.00 0.00 C ATOM 0 H LEU A 78 -12.834 -8.026 0.900 1.00 0.00 H new ATOM 0 HA LEU A 78 -14.259 -10.615 1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.144 -8.956 -1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -13.212 -10.698 -1.396 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.497 -8.751 -1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.263 -9.844 -3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.635 -9.144 -3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.831 -10.900 -3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.047 -10.663 -1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.662 -11.771 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -15.992 -10.585 0.426 1.00 0.00 H new ATOM 1215 N LEU A 79 -12.255 -12.031 1.183 1.00 0.00 N ATOM 1216 CA LEU A 79 -11.097 -12.864 1.444 1.00 0.00 C ATOM 1217 C LEU A 79 -11.019 -13.976 0.413 1.00 0.00 C ATOM 1218 O LEU A 79 -11.988 -14.705 0.206 1.00 0.00 O ATOM 1219 CB LEU A 79 -11.189 -13.456 2.854 1.00 0.00 C ATOM 1220 CG LEU A 79 -10.436 -12.687 3.939 1.00 0.00 C ATOM 1221 CD1 LEU A 79 -8.937 -12.797 3.725 1.00 0.00 C ATOM 1222 CD2 LEU A 79 -10.873 -11.234 3.958 1.00 0.00 C ATOM 0 H LEU A 79 -13.148 -12.519 1.259 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.195 -12.256 1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.240 -13.515 3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.809 -14.477 2.826 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.675 -13.128 4.907 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.416 -12.244 4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.640 -13.845 3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.677 -12.381 2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.327 -10.700 4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.664 -10.778 2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.942 -11.178 4.161 1.00 0.00 H new ATOM 1234 N PHE A 80 -9.876 -14.090 -0.248 1.00 0.00 N ATOM 1235 CA PHE A 80 -9.695 -15.100 -1.275 1.00 0.00 C ATOM 1236 C PHE A 80 -8.600 -16.084 -0.894 1.00 0.00 C ATOM 1237 O PHE A 80 -7.627 -15.729 -0.229 1.00 0.00 O ATOM 1238 CB PHE A 80 -9.375 -14.414 -2.603 1.00 0.00 C ATOM 1239 CG PHE A 80 -10.594 -13.866 -3.283 1.00 0.00 C ATOM 1240 CD1 PHE A 80 -11.015 -12.572 -3.022 1.00 0.00 C ATOM 1241 CD2 PHE A 80 -11.327 -14.642 -4.172 1.00 0.00 C ATOM 1242 CE1 PHE A 80 -12.140 -12.056 -3.634 1.00 0.00 C ATOM 1243 CE2 PHE A 80 -12.457 -14.127 -4.788 1.00 0.00 C ATOM 1244 CZ PHE A 80 -12.862 -12.833 -4.517 1.00 0.00 C ATOM 0 H PHE A 80 -9.062 -13.495 -0.090 1.00 0.00 H new ATOM 0 HA PHE A 80 -10.618 -15.671 -1.377 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -8.668 -13.604 -2.427 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -8.884 -15.127 -3.266 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.456 -11.959 -2.331 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.014 -15.654 -4.385 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -12.455 -11.045 -3.422 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -13.021 -14.736 -5.479 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.742 -12.431 -4.996 1.00 0.00 H new ATOM 1254 N LYS A 81 -8.776 -17.326 -1.318 1.00 0.00 N ATOM 1255 CA LYS A 81 -7.821 -18.382 -1.030 1.00 0.00 C ATOM 1256 C LYS A 81 -7.799 -19.389 -2.171 1.00 0.00 C ATOM 1257 O LYS A 81 -8.796 -20.059 -2.433 1.00 0.00 O ATOM 1258 CB LYS A 81 -8.189 -19.083 0.278 1.00 0.00 C ATOM 1259 CG LYS A 81 -6.981 -19.518 1.092 1.00 0.00 C ATOM 1260 CD LYS A 81 -7.177 -19.251 2.576 1.00 0.00 C ATOM 1261 CE LYS A 81 -5.853 -19.294 3.323 1.00 0.00 C ATOM 1262 NZ LYS A 81 -5.070 -20.520 3.001 1.00 0.00 N ATOM 0 H LYS A 81 -9.580 -17.628 -1.868 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.830 -17.941 -0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.801 -18.412 0.881 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.800 -19.957 0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.800 -20.581 0.934 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.096 -18.988 0.741 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.644 -18.276 2.714 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.858 -19.992 2.995 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.265 -18.412 3.070 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.041 -19.255 4.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.367 -20.689 3.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.712 -21.336 2.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.584 -20.392 2.090 1.00 0.00 H new ATOM 1276 N ASN A 82 -6.667 -19.490 -2.859 1.00 0.00 N ATOM 1277 CA ASN A 82 -6.549 -20.418 -3.982 1.00 0.00 C ATOM 1278 C ASN A 82 -7.613 -20.109 -5.037 1.00 0.00 C ATOM 1279 O ASN A 82 -8.241 -21.015 -5.587 1.00 0.00 O ATOM 1280 CB ASN A 82 -6.692 -21.866 -3.500 1.00 0.00 C ATOM 1281 CG ASN A 82 -5.875 -22.154 -2.253 1.00 0.00 C ATOM 1282 OD1 ASN A 82 -6.404 -22.622 -1.244 1.00 0.00 O ATOM 1283 ND2 ASN A 82 -4.578 -21.883 -2.321 1.00 0.00 N ATOM 0 H ASN A 82 -5.825 -18.948 -2.663 1.00 0.00 H new ATOM 0 HA ASN A 82 -5.562 -20.296 -4.428 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -7.742 -22.075 -3.297 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.381 -22.542 -4.297 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -3.977 -22.062 -1.517 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.182 -21.496 -3.178 1.00 0.00 H new ATOM 1290 N GLY A 83 -7.780 -18.825 -5.340 1.00 0.00 N ATOM 1291 CA GLY A 83 -8.742 -18.415 -6.350 1.00 0.00 C ATOM 1292 C GLY A 83 -10.194 -18.554 -5.912 1.00 0.00 C ATOM 1293 O GLY A 83 -11.103 -18.359 -6.718 1.00 0.00 O ATOM 0 H GLY A 83 -7.266 -18.060 -4.904 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.552 -17.376 -6.618 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.586 -19.010 -7.250 1.00 0.00 H new ATOM 1297 N GLU A 84 -10.421 -18.911 -4.651 1.00 0.00 N ATOM 1298 CA GLU A 84 -11.781 -19.088 -4.147 1.00 0.00 C ATOM 1299 C GLU A 84 -12.026 -18.252 -2.896 1.00 0.00 C ATOM 1300 O GLU A 84 -11.149 -18.121 -2.041 1.00 0.00 O ATOM 1301 CB GLU A 84 -12.035 -20.562 -3.837 1.00 0.00 C ATOM 1302 CG GLU A 84 -13.476 -20.990 -4.060 1.00 0.00 C ATOM 1303 CD GLU A 84 -13.658 -22.495 -3.996 1.00 0.00 C ATOM 1304 OE1 GLU A 84 -12.728 -23.224 -4.404 1.00 0.00 O ATOM 1305 OE2 GLU A 84 -14.730 -22.944 -3.539 1.00 0.00 O ATOM 0 H GLU A 84 -9.687 -19.083 -3.963 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.470 -18.751 -4.921 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.382 -21.174 -4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.762 -20.759 -2.800 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.111 -20.519 -3.309 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.811 -20.629 -5.032 1.00 0.00 H new ATOM 1312 N VAL A 85 -13.236 -17.706 -2.783 1.00 0.00 N ATOM 1313 CA VAL A 85 -13.600 -16.895 -1.626 1.00 0.00 C ATOM 1314 C VAL A 85 -13.727 -17.764 -0.378 1.00 0.00 C ATOM 1315 O VAL A 85 -14.549 -18.684 -0.336 1.00 0.00 O ATOM 1316 CB VAL A 85 -14.927 -16.144 -1.842 1.00 0.00 C ATOM 1317 CG1 VAL A 85 -15.174 -15.167 -0.703 1.00 0.00 C ATOM 1318 CG2 VAL A 85 -14.929 -15.424 -3.184 1.00 0.00 C ATOM 0 H VAL A 85 -13.977 -17.811 -3.476 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.803 -16.164 -1.494 1.00 0.00 H new ATOM 0 HB VAL A 85 -15.738 -16.873 -1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -16.116 -14.644 -0.870 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -15.224 -15.712 0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.360 -14.444 -0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -15.876 -14.901 -3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -14.110 -14.705 -3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -14.802 -16.150 -3.987 1.00 0.00 H new ATOM 1328 N ALA A 86 -12.911 -17.489 0.638 1.00 0.00 N ATOM 1329 CA ALA A 86 -12.951 -18.274 1.868 1.00 0.00 C ATOM 1330 C ALA A 86 -13.399 -17.458 3.075 1.00 0.00 C ATOM 1331 O ALA A 86 -13.279 -17.908 4.214 1.00 0.00 O ATOM 1332 CB ALA A 86 -11.600 -18.916 2.137 1.00 0.00 C ATOM 0 H ALA A 86 -12.222 -16.737 0.634 1.00 0.00 H new ATOM 0 HA ALA A 86 -13.697 -19.054 1.717 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.650 -19.497 3.058 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -11.338 -19.573 1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.842 -18.139 2.239 1.00 0.00 H new ATOM 1338 N ALA A 87 -13.922 -16.268 2.820 1.00 0.00 N ATOM 1339 CA ALA A 87 -14.400 -15.392 3.890 1.00 0.00 C ATOM 1340 C ALA A 87 -15.058 -14.133 3.321 1.00 0.00 C ATOM 1341 O ALA A 87 -14.550 -13.541 2.369 1.00 0.00 O ATOM 1342 CB ALA A 87 -13.256 -15.030 4.828 1.00 0.00 C ATOM 0 H ALA A 87 -14.028 -15.883 1.882 1.00 0.00 H new ATOM 0 HA ALA A 87 -15.157 -15.931 4.459 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -13.626 -14.378 5.619 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.846 -15.938 5.269 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -12.476 -14.514 4.268 1.00 0.00 H new ATOM 1348 N THR A 88 -16.172 -13.712 3.918 1.00 0.00 N ATOM 1349 CA THR A 88 -16.873 -12.508 3.471 1.00 0.00 C ATOM 1350 C THR A 88 -17.266 -11.636 4.661 1.00 0.00 C ATOM 1351 O THR A 88 -17.804 -12.130 5.651 1.00 0.00 O ATOM 1352 CB THR A 88 -18.124 -12.872 2.663 1.00 0.00 C ATOM 1353 OG1 THR A 88 -18.973 -11.744 2.521 1.00 0.00 O ATOM 1354 CG2 THR A 88 -18.941 -13.987 3.284 1.00 0.00 C ATOM 0 H THR A 88 -16.608 -14.185 4.710 1.00 0.00 H new ATOM 0 HA THR A 88 -16.192 -11.947 2.831 1.00 0.00 H new ATOM 0 HB THR A 88 -17.753 -13.214 1.697 1.00 0.00 H new ATOM 0 HG1 THR A 88 -19.765 -11.994 2.002 1.00 0.00 H new ATOM 0 HG21 THR A 88 -19.811 -14.192 2.660 1.00 0.00 H new ATOM 0 HG22 THR A 88 -18.330 -14.886 3.362 1.00 0.00 H new ATOM 0 HG23 THR A 88 -19.271 -13.686 4.278 1.00 0.00 H new ATOM 1362 N LYS A 89 -17.000 -10.338 4.558 1.00 0.00 N ATOM 1363 CA LYS A 89 -17.333 -9.400 5.622 1.00 0.00 C ATOM 1364 C LYS A 89 -17.988 -8.154 5.030 1.00 0.00 C ATOM 1365 O LYS A 89 -17.585 -7.682 3.970 1.00 0.00 O ATOM 1366 CB LYS A 89 -16.078 -9.022 6.411 1.00 0.00 C ATOM 1367 CG LYS A 89 -16.197 -9.307 7.898 1.00 0.00 C ATOM 1368 CD LYS A 89 -17.063 -8.269 8.593 1.00 0.00 C ATOM 1369 CE LYS A 89 -16.622 -8.041 10.028 1.00 0.00 C ATOM 1370 NZ LYS A 89 -17.758 -7.618 10.891 1.00 0.00 N ATOM 0 H LYS A 89 -16.554 -9.912 3.746 1.00 0.00 H new ATOM 0 HA LYS A 89 -18.036 -9.876 6.305 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.226 -9.570 6.010 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -15.872 -7.962 6.266 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -16.624 -10.299 8.047 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.205 -9.316 8.349 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -17.016 -7.329 8.044 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -18.103 -8.594 8.579 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -16.185 -8.957 10.425 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -15.843 -7.279 10.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -17.419 -7.472 11.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -18.159 -6.730 10.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -18.491 -8.356 10.887 1.00 0.00 H new ATOM 1384 N VAL A 90 -19.015 -7.645 5.700 1.00 0.00 N ATOM 1385 CA VAL A 90 -19.737 -6.471 5.211 1.00 0.00 C ATOM 1386 C VAL A 90 -19.737 -5.338 6.236 1.00 0.00 C ATOM 1387 O VAL A 90 -19.770 -5.584 7.443 1.00 0.00 O ATOM 1388 CB VAL A 90 -21.190 -6.822 4.829 1.00 0.00 C ATOM 1389 CG1 VAL A 90 -21.863 -5.646 4.137 1.00 0.00 C ATOM 1390 CG2 VAL A 90 -21.228 -8.066 3.949 1.00 0.00 C ATOM 0 H VAL A 90 -19.367 -8.023 6.580 1.00 0.00 H new ATOM 0 HA VAL A 90 -19.210 -6.131 4.320 1.00 0.00 H new ATOM 0 HB VAL A 90 -21.743 -7.037 5.743 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -22.887 -5.915 3.876 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -21.873 -4.787 4.807 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -21.312 -5.393 3.231 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -22.261 -8.297 3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -20.658 -7.885 3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -20.792 -8.907 4.489 1.00 0.00 H new ATOM 1400 N GLY A 91 -19.704 -4.097 5.750 1.00 0.00 N ATOM 1401 CA GLY A 91 -19.699 -2.952 6.640 1.00 0.00 C ATOM 1402 C GLY A 91 -18.330 -2.639 7.201 1.00 0.00 C ATOM 1403 O GLY A 91 -17.425 -3.471 7.165 1.00 0.00 O ATOM 0 H GLY A 91 -19.681 -3.867 4.756 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -20.072 -2.080 6.102 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -20.388 -3.137 7.464 1.00 0.00 H new ATOM 1407 N ALA A 92 -18.184 -1.422 7.714 1.00 0.00 N ATOM 1408 CA ALA A 92 -16.920 -0.973 8.281 1.00 0.00 C ATOM 1409 C ALA A 92 -16.603 -1.696 9.584 1.00 0.00 C ATOM 1410 O ALA A 92 -17.456 -1.833 10.461 1.00 0.00 O ATOM 1411 CB ALA A 92 -16.940 0.534 8.497 1.00 0.00 C ATOM 0 H ALA A 92 -18.930 -0.727 7.748 1.00 0.00 H new ATOM 0 HA ALA A 92 -16.131 -1.215 7.569 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -15.988 0.853 8.921 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -17.099 1.036 7.543 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -17.748 0.793 9.182 1.00 0.00 H new ATOM 1417 N LEU A 93 -15.362 -2.154 9.693 1.00 0.00 N ATOM 1418 CA LEU A 93 -14.897 -2.864 10.874 1.00 0.00 C ATOM 1419 C LEU A 93 -13.792 -2.072 11.572 1.00 0.00 C ATOM 1420 O LEU A 93 -13.466 -0.960 11.158 1.00 0.00 O ATOM 1421 CB LEU A 93 -14.374 -4.256 10.490 1.00 0.00 C ATOM 1422 CG LEU A 93 -13.845 -4.392 9.059 1.00 0.00 C ATOM 1423 CD1 LEU A 93 -12.953 -5.617 8.942 1.00 0.00 C ATOM 1424 CD2 LEU A 93 -14.993 -4.479 8.064 1.00 0.00 C ATOM 0 H LEU A 93 -14.654 -2.044 8.968 1.00 0.00 H new ATOM 0 HA LEU A 93 -15.738 -2.977 11.558 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -13.576 -4.528 11.181 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -15.178 -4.978 10.631 1.00 0.00 H new ATOM 0 HG LEU A 93 -13.257 -3.504 8.826 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.584 -5.702 7.920 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -12.110 -5.520 9.626 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.525 -6.509 9.196 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -14.593 -4.575 7.055 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -15.609 -5.348 8.294 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -15.600 -3.576 8.129 1.00 0.00 H new ATOM 1436 N SER A 94 -13.211 -2.654 12.618 1.00 0.00 N ATOM 1437 CA SER A 94 -12.134 -1.996 13.356 1.00 0.00 C ATOM 1438 C SER A 94 -10.801 -2.704 13.105 1.00 0.00 C ATOM 1439 O SER A 94 -10.775 -3.844 12.638 1.00 0.00 O ATOM 1440 CB SER A 94 -12.444 -1.978 14.857 1.00 0.00 C ATOM 1441 OG SER A 94 -11.947 -0.798 15.467 1.00 0.00 O ATOM 0 H SER A 94 -13.466 -3.576 12.973 1.00 0.00 H new ATOM 0 HA SER A 94 -12.057 -0.968 13.002 1.00 0.00 H new ATOM 0 HB2 SER A 94 -13.521 -2.044 15.010 1.00 0.00 H new ATOM 0 HB3 SER A 94 -12.000 -2.852 15.334 1.00 0.00 H new ATOM 0 HG SER A 94 -12.159 -0.810 16.424 1.00 0.00 H new ATOM 1447 N LYS A 95 -9.698 -2.024 13.412 1.00 0.00 N ATOM 1448 CA LYS A 95 -8.363 -2.590 13.217 1.00 0.00 C ATOM 1449 C LYS A 95 -8.234 -3.962 13.878 1.00 0.00 C ATOM 1450 O LYS A 95 -7.574 -4.855 13.344 1.00 0.00 O ATOM 1451 CB LYS A 95 -7.299 -1.646 13.774 1.00 0.00 C ATOM 1452 CG LYS A 95 -5.880 -2.111 13.493 1.00 0.00 C ATOM 1453 CD LYS A 95 -5.048 -1.024 12.838 1.00 0.00 C ATOM 1454 CE LYS A 95 -3.608 -1.470 12.669 1.00 0.00 C ATOM 1455 NZ LYS A 95 -2.749 -0.982 13.783 1.00 0.00 N ATOM 0 H LYS A 95 -9.702 -1.080 13.797 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.211 -2.713 12.145 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.441 -0.654 13.344 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -7.436 -1.549 14.851 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.407 -2.418 14.426 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.907 -2.988 12.846 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.471 -0.773 11.865 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.083 -0.119 13.444 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.566 -2.558 12.626 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.220 -1.099 11.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.772 -1.305 13.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.770 0.057 13.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.105 -1.357 14.686 1.00 0.00 H new ATOM 1469 N GLY A 96 -8.850 -4.122 15.047 1.00 0.00 N ATOM 1470 CA GLY A 96 -8.779 -5.388 15.743 1.00 0.00 C ATOM 1471 C GLY A 96 -9.709 -6.430 15.147 1.00 0.00 C ATOM 1472 O GLY A 96 -9.426 -7.627 15.205 1.00 0.00 O ATOM 0 H GLY A 96 -9.393 -3.400 15.520 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.755 -5.759 15.712 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.032 -5.237 16.792 1.00 0.00 H new ATOM 1476 N GLN A 97 -10.815 -5.978 14.564 1.00 0.00 N ATOM 1477 CA GLN A 97 -11.769 -6.893 13.950 1.00 0.00 C ATOM 1478 C GLN A 97 -11.258 -7.371 12.597 1.00 0.00 C ATOM 1479 O GLN A 97 -11.500 -8.509 12.197 1.00 0.00 O ATOM 1480 CB GLN A 97 -13.137 -6.230 13.795 1.00 0.00 C ATOM 1481 CG GLN A 97 -13.629 -5.552 15.065 1.00 0.00 C ATOM 1482 CD GLN A 97 -15.012 -4.946 14.920 1.00 0.00 C ATOM 1483 OE1 GLN A 97 -15.156 -3.748 14.680 1.00 0.00 O ATOM 1484 NE2 GLN A 97 -16.040 -5.777 15.056 1.00 0.00 N ATOM 0 H GLN A 97 -11.071 -4.992 14.504 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.878 -7.756 14.606 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -13.086 -5.492 12.995 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -13.864 -6.982 13.489 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.641 -6.280 15.877 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -12.924 -4.770 15.348 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -15.875 -6.764 15.255 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -16.994 -5.428 14.961 1.00 0.00 H new ATOM 1493 N LEU A 98 -10.534 -6.501 11.898 1.00 0.00 N ATOM 1494 CA LEU A 98 -9.978 -6.863 10.603 1.00 0.00 C ATOM 1495 C LEU A 98 -8.849 -7.872 10.790 1.00 0.00 C ATOM 1496 O LEU A 98 -8.825 -8.923 10.150 1.00 0.00 O ATOM 1497 CB LEU A 98 -9.470 -5.631 9.852 1.00 0.00 C ATOM 1498 CG LEU A 98 -9.799 -5.622 8.358 1.00 0.00 C ATOM 1499 CD1 LEU A 98 -10.140 -4.217 7.888 1.00 0.00 C ATOM 1500 CD2 LEU A 98 -8.639 -6.189 7.553 1.00 0.00 C ATOM 0 H LEU A 98 -10.322 -5.551 12.204 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.770 -7.314 10.005 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.897 -4.739 10.311 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.389 -5.566 9.974 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.672 -6.255 8.198 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.370 -4.236 6.823 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.005 -3.849 8.440 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.290 -3.558 8.064 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.891 -6.175 6.493 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.748 -5.584 7.723 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.446 -7.215 7.866 1.00 0.00 H new ATOM 1512 N LYS A 99 -7.918 -7.536 11.676 1.00 0.00 N ATOM 1513 CA LYS A 99 -6.776 -8.394 11.969 1.00 0.00 C ATOM 1514 C LYS A 99 -7.224 -9.762 12.484 1.00 0.00 C ATOM 1515 O LYS A 99 -6.675 -10.792 12.089 1.00 0.00 O ATOM 1516 CB LYS A 99 -5.880 -7.716 13.005 1.00 0.00 C ATOM 1517 CG LYS A 99 -4.414 -8.080 12.876 1.00 0.00 C ATOM 1518 CD LYS A 99 -3.610 -7.566 14.061 1.00 0.00 C ATOM 1519 CE LYS A 99 -4.061 -8.209 15.366 1.00 0.00 C ATOM 1520 NZ LYS A 99 -4.898 -7.284 16.182 1.00 0.00 N ATOM 0 H LYS A 99 -7.933 -6.666 12.209 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.220 -8.550 11.045 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.986 -6.635 12.912 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.226 -7.986 14.003 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.311 -9.163 12.806 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.013 -7.661 11.953 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.552 -7.772 13.900 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.717 -6.484 14.132 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.628 -9.114 15.148 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.187 -8.512 15.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.528 -7.837 16.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.282 -6.684 16.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.468 -6.684 15.552 1.00 0.00 H new ATOM 1534 N GLU A 100 -8.225 -9.768 13.361 1.00 0.00 N ATOM 1535 CA GLU A 100 -8.740 -11.017 13.916 1.00 0.00 C ATOM 1536 C GLU A 100 -9.325 -11.893 12.809 1.00 0.00 C ATOM 1537 O GLU A 100 -9.140 -13.111 12.805 1.00 0.00 O ATOM 1538 CB GLU A 100 -9.771 -10.745 15.031 1.00 0.00 C ATOM 1539 CG GLU A 100 -11.202 -10.519 14.557 1.00 0.00 C ATOM 1540 CD GLU A 100 -12.074 -11.752 14.718 1.00 0.00 C ATOM 1541 OE1 GLU A 100 -11.841 -12.744 13.996 1.00 0.00 O ATOM 1542 OE2 GLU A 100 -12.992 -11.726 15.565 1.00 0.00 O ATOM 0 H GLU A 100 -8.693 -8.928 13.701 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.911 -11.561 14.369 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.764 -11.588 15.722 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.450 -9.868 15.594 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.640 -9.693 15.118 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.190 -10.221 13.508 1.00 0.00 H new ATOM 1549 N PHE A 101 -9.991 -11.259 11.846 1.00 0.00 N ATOM 1550 CA PHE A 101 -10.567 -11.968 10.708 1.00 0.00 C ATOM 1551 C PHE A 101 -9.465 -12.610 9.880 1.00 0.00 C ATOM 1552 O PHE A 101 -9.577 -13.755 9.440 1.00 0.00 O ATOM 1553 CB PHE A 101 -11.378 -11.002 9.844 1.00 0.00 C ATOM 1554 CG PHE A 101 -12.263 -11.684 8.845 1.00 0.00 C ATOM 1555 CD1 PHE A 101 -13.066 -12.749 9.223 1.00 0.00 C ATOM 1556 CD2 PHE A 101 -12.295 -11.258 7.529 1.00 0.00 C ATOM 1557 CE1 PHE A 101 -13.882 -13.377 8.304 1.00 0.00 C ATOM 1558 CE2 PHE A 101 -13.109 -11.881 6.606 1.00 0.00 C ATOM 1559 CZ PHE A 101 -13.905 -12.942 6.993 1.00 0.00 C ATOM 0 H PHE A 101 -10.145 -10.251 11.833 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.229 -12.750 11.079 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -11.992 -10.377 10.492 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.693 -10.338 9.316 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -13.053 -13.091 10.247 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -11.676 -10.428 7.221 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -14.502 -14.207 8.609 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -13.124 -11.540 5.581 1.00 0.00 H new ATOM 0 HZ PHE A 101 -14.544 -13.430 6.272 1.00 0.00 H new ATOM 1569 N LEU A 102 -8.395 -11.851 9.676 1.00 0.00 N ATOM 1570 CA LEU A 102 -7.262 -12.325 8.904 1.00 0.00 C ATOM 1571 C LEU A 102 -6.602 -13.494 9.616 1.00 0.00 C ATOM 1572 O LEU A 102 -6.570 -14.606 9.095 1.00 0.00 O ATOM 1573 CB LEU A 102 -6.257 -11.189 8.702 1.00 0.00 C ATOM 1574 CG LEU A 102 -6.233 -10.601 7.291 1.00 0.00 C ATOM 1575 CD1 LEU A 102 -5.143 -9.548 7.171 1.00 0.00 C ATOM 1576 CD2 LEU A 102 -6.045 -11.698 6.249 1.00 0.00 C ATOM 0 H LEU A 102 -8.292 -10.903 10.037 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.610 -12.662 7.928 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.484 -10.391 9.410 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.260 -11.557 8.945 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.194 -10.122 7.104 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.141 -9.140 6.160 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.331 -8.746 7.885 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.174 -10.001 7.382 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.031 -11.255 5.253 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.102 -12.214 6.430 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.867 -12.410 6.318 1.00 0.00 H new ATOM 1588 N ASP A 103 -6.084 -13.242 10.812 1.00 0.00 N ATOM 1589 CA ASP A 103 -5.427 -14.287 11.591 1.00 0.00 C ATOM 1590 C ASP A 103 -6.292 -15.551 11.659 1.00 0.00 C ATOM 1591 O ASP A 103 -5.773 -16.667 11.670 1.00 0.00 O ATOM 1592 CB ASP A 103 -5.111 -13.784 13.006 1.00 0.00 C ATOM 1593 CG ASP A 103 -3.713 -14.172 13.457 1.00 0.00 C ATOM 1594 OD1 ASP A 103 -2.754 -13.450 13.109 1.00 0.00 O ATOM 1595 OD2 ASP A 103 -3.579 -15.200 14.155 1.00 0.00 O ATOM 0 H ASP A 103 -6.105 -12.327 11.263 1.00 0.00 H new ATOM 0 HA ASP A 103 -4.492 -14.540 11.091 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -5.211 -12.699 13.034 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -5.842 -14.190 13.705 1.00 0.00 H new ATOM 1600 N ALA A 104 -7.612 -15.362 11.697 1.00 0.00 N ATOM 1601 CA ALA A 104 -8.560 -16.476 11.762 1.00 0.00 C ATOM 1602 C ALA A 104 -8.668 -17.225 10.427 1.00 0.00 C ATOM 1603 O ALA A 104 -9.113 -18.372 10.390 1.00 0.00 O ATOM 1604 CB ALA A 104 -9.930 -15.970 12.215 1.00 0.00 C ATOM 0 H ALA A 104 -8.051 -14.442 11.684 1.00 0.00 H new ATOM 0 HA ALA A 104 -8.183 -17.190 12.494 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -10.629 -16.805 12.261 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -9.842 -15.516 13.202 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -10.297 -15.228 11.506 1.00 0.00 H new ATOM 1610 N ASN A 105 -8.269 -16.577 9.333 1.00 0.00 N ATOM 1611 CA ASN A 105 -8.342 -17.200 8.011 1.00 0.00 C ATOM 1612 C ASN A 105 -6.951 -17.547 7.474 1.00 0.00 C ATOM 1613 O ASN A 105 -6.759 -18.587 6.841 1.00 0.00 O ATOM 1614 CB ASN A 105 -9.062 -16.264 7.038 1.00 0.00 C ATOM 1615 CG ASN A 105 -9.988 -17.011 6.097 1.00 0.00 C ATOM 1616 OD1 ASN A 105 -10.459 -18.101 6.413 1.00 0.00 O ATOM 1617 ND2 ASN A 105 -10.254 -16.427 4.935 1.00 0.00 N ATOM 0 H ASN A 105 -7.895 -15.628 9.335 1.00 0.00 H new ATOM 0 HA ASN A 105 -8.902 -18.130 8.106 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -9.637 -15.530 7.602 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -8.324 -15.712 6.456 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -10.871 -16.884 4.264 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -9.841 -15.521 4.713 1.00 0.00 H new ATOM 1624 N LEU A 106 -5.989 -16.668 7.737 1.00 0.00 N ATOM 1625 CA LEU A 106 -4.607 -16.858 7.295 1.00 0.00 C ATOM 1626 C LEU A 106 -4.009 -18.130 7.892 1.00 0.00 C ATOM 1627 O LEU A 106 -3.701 -18.185 9.083 1.00 0.00 O ATOM 1628 CB LEU A 106 -3.773 -15.641 7.705 1.00 0.00 C ATOM 1629 CG LEU A 106 -2.446 -15.460 6.963 1.00 0.00 C ATOM 1630 CD1 LEU A 106 -1.768 -14.175 7.414 1.00 0.00 C ATOM 1631 CD2 LEU A 106 -1.527 -16.651 7.192 1.00 0.00 C ATOM 0 H LEU A 106 -6.142 -15.806 8.260 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.598 -16.962 6.210 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.376 -14.745 7.556 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.564 -15.711 8.772 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.656 -15.396 5.895 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.825 -14.055 6.881 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.417 -13.326 7.199 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -1.575 -14.222 8.486 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.591 -16.497 6.654 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -1.321 -16.752 8.258 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.010 -17.558 6.829 1.00 0.00 H new ATOM 1643 N VAL A 107 -3.844 -19.152 7.053 1.00 0.00 N ATOM 1644 CA VAL A 107 -3.281 -20.423 7.498 1.00 0.00 C ATOM 1645 C VAL A 107 -2.696 -21.211 6.329 1.00 0.00 C ATOM 1646 O VAL A 107 -3.105 -20.954 5.177 1.00 0.00 O ATOM 1647 CB VAL A 107 -4.343 -21.285 8.211 1.00 0.00 C ATOM 1648 CG1 VAL A 107 -4.721 -20.669 9.549 1.00 0.00 C ATOM 1649 CG2 VAL A 107 -5.572 -21.459 7.330 1.00 0.00 C ATOM 0 H VAL A 107 -4.092 -19.123 6.064 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.482 -20.187 8.201 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.917 -22.271 8.398 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -5.471 -21.291 10.037 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.836 -20.603 10.182 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.127 -19.670 9.388 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -6.309 -22.070 7.851 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -6.002 -20.482 7.108 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.286 -21.950 6.400 1.00 0.00 H new TER 1659 VAL A 107