USER MOD reduce.3.24.130724 H: found=0, std=0, add=932, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 930 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 TYR OH : rot 26:sc= 0.622 USER MOD Set 1.2: A 97 GLN : amide:sc= -2.09! C(o=-1.5!,f=-3.4!) USER MOD Set 1.3: A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 87 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 92 TYR OH : rot 180:sc= -0.0242 USER MOD Set 3.1: A 26 THR OG1 : rot 180:sc= -0.491 USER MOD Set 3.2: A 40 ASN : amide:sc= -0.0604 X(o=-0.52,f=-0.51) USER MOD Set 3.3: A 80 THR OG1 : rot 122:sc= 0.031 USER MOD Set 4.1: A 33 LYS NZ :NH3+ 173:sc= -0.659 (180deg=-0.59) USER MOD Set 4.2: A 35 LYS NZ :NH3+ 151:sc= -2.34! (180deg=-2.09!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 7:sc= 0.112 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 66:sc= 0.435 USER MOD Single : A 8 THR OG1 : rot 2:sc= 1 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0826 USER MOD Single : A 23 LYS NZ :NH3+ 154:sc= -0.215 (180deg=-0.82) USER MOD Single : A 29 SER OG : rot -170:sc= -0.0843 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.685 K(o=0.69,f=-1.5!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 15:sc= -0.737 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -105:sc= 1.19 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.287 USER MOD Single : A 63 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.14) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -2.97! C(o=-4.8!,f=-3!) USER MOD Single : A 77 ASN : amide:sc= -1.18! C(o=-1.2!,f=-1.6!) USER MOD Single : A 81 HIS : no HD1:sc= -0.0842 X(o=-0.084,f=-0.56) USER MOD Single : A 82 GLN : amide:sc= -0.0983 K(o=-0.098,f=-1.7!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 90 THR OG1 : rot 86:sc= 1.25 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.117 K(o=-0.12,f=-8.2!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc=-0.00741 K(o=-0.0074,f=-1.2) USER MOD Single : A 115 THR OG1 : rot -129:sc= -0.337 USER MOD Single : A 117 LYS NZ :NH3+ -130:sc= -0.771 (180deg=-3.48!) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -50.284 -11.227 -19.715 1.00 0.00 N ATOM 2 CA GLY A 1 -49.722 -9.930 -19.386 1.00 0.00 C ATOM 3 C GLY A 1 -49.927 -9.561 -17.930 1.00 0.00 C ATOM 4 O GLY A 1 -51.013 -9.751 -17.381 1.00 0.00 O ATOM 0 H1 GLY A 1 -50.118 -11.432 -20.721 1.00 0.00 H new ATOM 0 H2 GLY A 1 -49.831 -11.960 -19.132 1.00 0.00 H new ATOM 0 H3 GLY A 1 -51.307 -11.220 -19.528 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -48.655 -9.932 -19.610 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -50.179 -9.169 -20.018 1.00 0.00 H new ATOM 8 N SER A 2 -48.881 -9.035 -17.301 1.00 0.00 N ATOM 9 CA SER A 2 -48.949 -8.645 -15.898 1.00 0.00 C ATOM 10 C SER A 2 -48.103 -7.402 -15.638 1.00 0.00 C ATOM 11 O SER A 2 -47.311 -6.989 -16.484 1.00 0.00 O ATOM 12 CB SER A 2 -48.478 -9.793 -15.003 1.00 0.00 C ATOM 13 OG SER A 2 -49.453 -10.819 -14.934 1.00 0.00 O ATOM 0 H SER A 2 -47.976 -8.869 -17.741 1.00 0.00 H new ATOM 0 HA SER A 2 -49.987 -8.413 -15.661 1.00 0.00 H new ATOM 0 HB2 SER A 2 -47.544 -10.200 -15.390 1.00 0.00 H new ATOM 0 HB3 SER A 2 -48.271 -9.416 -14.001 1.00 0.00 H new ATOM 0 HG SER A 2 -50.176 -10.626 -15.567 1.00 0.00 H new ATOM 19 N SER A 3 -48.278 -6.811 -14.461 1.00 0.00 N ATOM 20 CA SER A 3 -47.534 -5.613 -14.089 1.00 0.00 C ATOM 21 C SER A 3 -46.288 -5.974 -13.285 1.00 0.00 C ATOM 22 O SER A 3 -45.196 -5.478 -13.556 1.00 0.00 O ATOM 23 CB SER A 3 -48.421 -4.667 -13.278 1.00 0.00 C ATOM 24 OG SER A 3 -49.626 -4.381 -13.967 1.00 0.00 O ATOM 0 H SER A 3 -48.928 -7.142 -13.748 1.00 0.00 H new ATOM 0 HA SER A 3 -47.222 -5.111 -15.005 1.00 0.00 H new ATOM 0 HB2 SER A 3 -48.649 -5.116 -12.312 1.00 0.00 H new ATOM 0 HB3 SER A 3 -47.883 -3.740 -13.079 1.00 0.00 H new ATOM 0 HG SER A 3 -50.176 -3.776 -13.427 1.00 0.00 H new ATOM 30 N GLY A 4 -46.463 -6.844 -12.295 1.00 0.00 N ATOM 31 CA GLY A 4 -45.345 -7.258 -11.466 1.00 0.00 C ATOM 32 C GLY A 4 -44.809 -6.128 -10.609 1.00 0.00 C ATOM 33 O GLY A 4 -43.667 -5.700 -10.778 1.00 0.00 O ATOM 0 H GLY A 4 -47.358 -7.269 -12.052 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -45.658 -8.080 -10.823 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -44.546 -7.638 -12.102 1.00 0.00 H new ATOM 37 N SER A 5 -45.635 -5.643 -9.688 1.00 0.00 N ATOM 38 CA SER A 5 -45.239 -4.552 -8.806 1.00 0.00 C ATOM 39 C SER A 5 -45.272 -4.994 -7.346 1.00 0.00 C ATOM 40 O SER A 5 -45.696 -4.243 -6.467 1.00 0.00 O ATOM 41 CB SER A 5 -46.159 -3.346 -9.006 1.00 0.00 C ATOM 42 OG SER A 5 -47.516 -3.701 -8.805 1.00 0.00 O ATOM 0 H SER A 5 -46.582 -5.988 -9.533 1.00 0.00 H new ATOM 0 HA SER A 5 -44.218 -4.267 -9.058 1.00 0.00 H new ATOM 0 HB2 SER A 5 -45.881 -2.553 -8.312 1.00 0.00 H new ATOM 0 HB3 SER A 5 -46.029 -2.948 -10.013 1.00 0.00 H new ATOM 0 HG SER A 5 -48.083 -2.913 -8.937 1.00 0.00 H new ATOM 48 N SER A 6 -44.823 -6.220 -7.095 1.00 0.00 N ATOM 49 CA SER A 6 -44.804 -6.766 -5.743 1.00 0.00 C ATOM 50 C SER A 6 -43.430 -6.587 -5.104 1.00 0.00 C ATOM 51 O SER A 6 -42.861 -7.529 -4.555 1.00 0.00 O ATOM 52 CB SER A 6 -45.180 -8.248 -5.764 1.00 0.00 C ATOM 53 OG SER A 6 -44.165 -9.024 -6.377 1.00 0.00 O ATOM 0 H SER A 6 -44.467 -6.854 -7.811 1.00 0.00 H new ATOM 0 HA SER A 6 -45.536 -6.221 -5.147 1.00 0.00 H new ATOM 0 HB2 SER A 6 -45.345 -8.599 -4.745 1.00 0.00 H new ATOM 0 HB3 SER A 6 -46.118 -8.381 -6.302 1.00 0.00 H new ATOM 0 HG SER A 6 -43.356 -9.001 -5.824 1.00 0.00 H new ATOM 59 N GLY A 7 -42.903 -5.368 -5.181 1.00 0.00 N ATOM 60 CA GLY A 7 -41.600 -5.086 -4.606 1.00 0.00 C ATOM 61 C GLY A 7 -41.380 -3.606 -4.367 1.00 0.00 C ATOM 62 O GLY A 7 -40.750 -2.925 -5.177 1.00 0.00 O ATOM 0 H GLY A 7 -43.355 -4.572 -5.631 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -41.499 -5.622 -3.662 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -40.823 -5.463 -5.272 1.00 0.00 H new ATOM 66 N THR A 8 -41.902 -3.104 -3.252 1.00 0.00 N ATOM 67 CA THR A 8 -41.762 -1.694 -2.910 1.00 0.00 C ATOM 68 C THR A 8 -41.185 -1.523 -1.509 1.00 0.00 C ATOM 69 O THR A 8 -40.945 -0.403 -1.060 1.00 0.00 O ATOM 70 CB THR A 8 -43.114 -0.960 -2.989 1.00 0.00 C ATOM 71 OG1 THR A 8 -43.000 0.341 -2.403 1.00 0.00 O ATOM 72 CG2 THR A 8 -44.201 -1.749 -2.277 1.00 0.00 C ATOM 0 H THR A 8 -42.426 -3.653 -2.570 1.00 0.00 H new ATOM 0 HA THR A 8 -41.077 -1.259 -3.638 1.00 0.00 H new ATOM 0 HB THR A 8 -43.388 -0.862 -4.039 1.00 0.00 H new ATOM 0 HG1 THR A 8 -42.076 0.489 -2.113 1.00 0.00 H new ATOM 0 HG21 THR A 8 -45.146 -1.211 -2.346 1.00 0.00 H new ATOM 0 HG22 THR A 8 -44.306 -2.728 -2.745 1.00 0.00 H new ATOM 0 HG23 THR A 8 -43.931 -1.875 -1.228 1.00 0.00 H new ATOM 80 N ALA A 9 -40.964 -2.640 -0.825 1.00 0.00 N ATOM 81 CA ALA A 9 -40.413 -2.613 0.524 1.00 0.00 C ATOM 82 C ALA A 9 -38.958 -3.070 0.532 1.00 0.00 C ATOM 83 O ALA A 9 -38.660 -4.221 0.852 1.00 0.00 O ATOM 84 CB ALA A 9 -41.246 -3.484 1.453 1.00 0.00 C ATOM 0 H ALA A 9 -41.158 -3.575 -1.183 1.00 0.00 H new ATOM 0 HA ALA A 9 -40.446 -1.584 0.882 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -40.822 -3.454 2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -42.270 -3.112 1.480 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -41.243 -4.511 1.089 1.00 0.00 H new ATOM 90 N HIS A 10 -38.055 -2.161 0.176 1.00 0.00 N ATOM 91 CA HIS A 10 -36.630 -2.472 0.142 1.00 0.00 C ATOM 92 C HIS A 10 -36.129 -2.876 1.525 1.00 0.00 C ATOM 93 O HIS A 10 -35.928 -2.030 2.395 1.00 0.00 O ATOM 94 CB HIS A 10 -35.837 -1.269 -0.370 1.00 0.00 C ATOM 95 CG HIS A 10 -35.681 -1.243 -1.859 1.00 0.00 C ATOM 96 ND1 HIS A 10 -35.019 -2.227 -2.563 1.00 0.00 N ATOM 97 CD2 HIS A 10 -36.108 -0.347 -2.779 1.00 0.00 C ATOM 98 CE1 HIS A 10 -35.044 -1.935 -3.852 1.00 0.00 C ATOM 99 NE2 HIS A 10 -35.700 -0.799 -4.009 1.00 0.00 N ATOM 0 H HIS A 10 -38.285 -1.204 -0.093 1.00 0.00 H new ATOM 0 HA HIS A 10 -36.482 -3.311 -0.538 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -36.334 -0.354 -0.049 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -34.849 -1.273 0.090 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -36.666 0.556 -2.582 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -34.603 -2.525 -4.642 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -35.875 -0.334 -4.900 1.00 0.00 H new ATOM 108 N GLY A 11 -35.930 -4.176 1.720 1.00 0.00 N ATOM 109 CA GLY A 11 -35.455 -4.669 3.000 1.00 0.00 C ATOM 110 C GLY A 11 -34.113 -5.367 2.890 1.00 0.00 C ATOM 111 O GLY A 11 -33.081 -4.808 3.263 1.00 0.00 O ATOM 0 H GLY A 11 -36.089 -4.896 1.015 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -35.372 -3.836 3.699 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -36.188 -5.361 3.414 1.00 0.00 H new ATOM 115 N THR A 12 -34.126 -6.594 2.379 1.00 0.00 N ATOM 116 CA THR A 12 -32.902 -7.370 2.224 1.00 0.00 C ATOM 117 C THR A 12 -31.784 -6.521 1.630 1.00 0.00 C ATOM 118 O THR A 12 -31.795 -6.205 0.439 1.00 0.00 O ATOM 119 CB THR A 12 -33.127 -8.602 1.327 1.00 0.00 C ATOM 120 OG1 THR A 12 -34.127 -9.450 1.903 1.00 0.00 O ATOM 121 CG2 THR A 12 -31.835 -9.383 1.146 1.00 0.00 C ATOM 0 H THR A 12 -34.971 -7.072 2.065 1.00 0.00 H new ATOM 0 HA THR A 12 -32.612 -7.703 3.220 1.00 0.00 H new ATOM 0 HB THR A 12 -33.463 -8.256 0.349 1.00 0.00 H new ATOM 0 HG1 THR A 12 -34.266 -10.230 1.326 1.00 0.00 H new ATOM 0 HG21 THR A 12 -32.019 -10.248 0.509 1.00 0.00 H new ATOM 0 HG22 THR A 12 -31.085 -8.743 0.681 1.00 0.00 H new ATOM 0 HG23 THR A 12 -31.473 -9.718 2.118 1.00 0.00 H new ATOM 129 N THR A 13 -30.817 -6.154 2.466 1.00 0.00 N ATOM 130 CA THR A 13 -29.692 -5.341 2.023 1.00 0.00 C ATOM 131 C THR A 13 -28.640 -6.193 1.321 1.00 0.00 C ATOM 132 O THR A 13 -28.062 -7.101 1.919 1.00 0.00 O ATOM 133 CB THR A 13 -29.033 -4.602 3.204 1.00 0.00 C ATOM 134 OG1 THR A 13 -27.781 -4.041 2.794 1.00 0.00 O ATOM 135 CG2 THR A 13 -28.812 -5.546 4.376 1.00 0.00 C ATOM 0 H THR A 13 -30.791 -6.407 3.454 1.00 0.00 H new ATOM 0 HA THR A 13 -30.089 -4.608 1.321 1.00 0.00 H new ATOM 0 HB THR A 13 -29.702 -3.802 3.523 1.00 0.00 H new ATOM 0 HG1 THR A 13 -27.370 -3.572 3.550 1.00 0.00 H new ATOM 0 HG21 THR A 13 -28.346 -5.003 5.198 1.00 0.00 H new ATOM 0 HG22 THR A 13 -29.770 -5.949 4.704 1.00 0.00 H new ATOM 0 HG23 THR A 13 -28.161 -6.364 4.067 1.00 0.00 H new ATOM 143 N PHE A 14 -28.396 -5.894 0.049 1.00 0.00 N ATOM 144 CA PHE A 14 -27.414 -6.634 -0.734 1.00 0.00 C ATOM 145 C PHE A 14 -26.385 -5.689 -1.348 1.00 0.00 C ATOM 146 O PHE A 14 -26.738 -4.747 -2.057 1.00 0.00 O ATOM 147 CB PHE A 14 -28.108 -7.436 -1.837 1.00 0.00 C ATOM 148 CG PHE A 14 -29.128 -6.642 -2.603 1.00 0.00 C ATOM 149 CD1 PHE A 14 -28.764 -5.932 -3.736 1.00 0.00 C ATOM 150 CD2 PHE A 14 -30.450 -6.607 -2.191 1.00 0.00 C ATOM 151 CE1 PHE A 14 -29.700 -5.200 -4.442 1.00 0.00 C ATOM 152 CE2 PHE A 14 -31.391 -5.878 -2.894 1.00 0.00 C ATOM 153 CZ PHE A 14 -31.015 -5.174 -4.021 1.00 0.00 C ATOM 0 H PHE A 14 -28.865 -5.145 -0.461 1.00 0.00 H new ATOM 0 HA PHE A 14 -26.897 -7.322 -0.065 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -27.356 -7.812 -2.531 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -28.594 -8.305 -1.393 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -27.737 -5.951 -4.071 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -30.749 -7.156 -1.310 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -29.403 -4.649 -5.322 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -32.419 -5.859 -2.562 1.00 0.00 H new ATOM 0 HZ PHE A 14 -31.748 -4.604 -4.572 1.00 0.00 H new ATOM 163 N GLU A 15 -25.111 -5.948 -1.069 1.00 0.00 N ATOM 164 CA GLU A 15 -24.031 -5.120 -1.592 1.00 0.00 C ATOM 165 C GLU A 15 -23.197 -5.893 -2.610 1.00 0.00 C ATOM 166 O GLU A 15 -23.049 -7.112 -2.512 1.00 0.00 O ATOM 167 CB GLU A 15 -23.137 -4.629 -0.452 1.00 0.00 C ATOM 168 CG GLU A 15 -23.596 -3.315 0.159 1.00 0.00 C ATOM 169 CD GLU A 15 -25.033 -3.365 0.638 1.00 0.00 C ATOM 170 OE1 GLU A 15 -25.521 -4.477 0.933 1.00 0.00 O ATOM 171 OE2 GLU A 15 -25.671 -2.295 0.718 1.00 0.00 O ATOM 0 H GLU A 15 -24.802 -6.724 -0.484 1.00 0.00 H new ATOM 0 HA GLU A 15 -24.477 -4.259 -2.091 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -23.105 -5.391 0.327 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -22.119 -4.511 -0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -22.946 -3.062 0.997 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -23.490 -2.519 -0.578 1.00 0.00 H new ATOM 178 N LEU A 16 -22.655 -5.175 -3.588 1.00 0.00 N ATOM 179 CA LEU A 16 -21.836 -5.792 -4.625 1.00 0.00 C ATOM 180 C LEU A 16 -20.406 -5.261 -4.579 1.00 0.00 C ATOM 181 O LEU A 16 -20.152 -4.104 -4.912 1.00 0.00 O ATOM 182 CB LEU A 16 -22.444 -5.532 -6.005 1.00 0.00 C ATOM 183 CG LEU A 16 -23.879 -6.019 -6.208 1.00 0.00 C ATOM 184 CD1 LEU A 16 -23.994 -7.497 -5.869 1.00 0.00 C ATOM 185 CD2 LEU A 16 -24.844 -5.200 -5.365 1.00 0.00 C ATOM 0 H LEU A 16 -22.768 -4.166 -3.684 1.00 0.00 H new ATOM 0 HA LEU A 16 -21.811 -6.866 -4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -22.415 -4.459 -6.197 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -21.811 -6.007 -6.754 1.00 0.00 H new ATOM 0 HG LEU A 16 -24.142 -5.887 -7.257 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -25.022 -7.826 -6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -23.331 -8.071 -6.516 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -23.711 -7.655 -4.828 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -25.861 -5.561 -5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -24.582 -5.300 -4.312 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -24.782 -4.151 -5.656 1.00 0.00 H new ATOM 197 N VAL A 17 -19.476 -6.116 -4.165 1.00 0.00 N ATOM 198 CA VAL A 17 -18.072 -5.734 -4.078 1.00 0.00 C ATOM 199 C VAL A 17 -17.631 -4.973 -5.323 1.00 0.00 C ATOM 200 O VAL A 17 -18.193 -5.128 -6.407 1.00 0.00 O ATOM 201 CB VAL A 17 -17.165 -6.966 -3.895 1.00 0.00 C ATOM 202 CG1 VAL A 17 -17.323 -7.542 -2.496 1.00 0.00 C ATOM 203 CG2 VAL A 17 -17.475 -8.016 -4.951 1.00 0.00 C ATOM 0 H VAL A 17 -19.670 -7.077 -3.885 1.00 0.00 H new ATOM 0 HA VAL A 17 -17.974 -5.087 -3.206 1.00 0.00 H new ATOM 0 HB VAL A 17 -16.128 -6.654 -4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -16.675 -8.411 -2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.048 -6.788 -1.759 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -18.360 -7.840 -2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -16.825 -8.879 -4.807 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -18.516 -8.326 -4.861 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.306 -7.596 -5.942 1.00 0.00 H new ATOM 213 N PRO A 18 -16.600 -4.129 -5.167 1.00 0.00 N ATOM 214 CA PRO A 18 -16.059 -3.327 -6.268 1.00 0.00 C ATOM 215 C PRO A 18 -15.332 -4.179 -7.303 1.00 0.00 C ATOM 216 O PRO A 18 -14.231 -4.672 -7.055 1.00 0.00 O ATOM 217 CB PRO A 18 -15.079 -2.381 -5.570 1.00 0.00 C ATOM 218 CG PRO A 18 -14.678 -3.099 -4.328 1.00 0.00 C ATOM 219 CD PRO A 18 -15.882 -3.894 -3.902 1.00 0.00 C ATOM 0 HA PRO A 18 -16.845 -2.815 -6.823 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.216 -2.169 -6.201 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.548 -1.424 -5.340 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -13.825 -3.752 -4.513 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -14.379 -2.396 -3.550 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.596 -4.830 -3.422 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.495 -3.344 -3.188 1.00 0.00 H new ATOM 227 N THR A 19 -15.954 -4.349 -8.465 1.00 0.00 N ATOM 228 CA THR A 19 -15.367 -5.142 -9.538 1.00 0.00 C ATOM 229 C THR A 19 -14.434 -4.297 -10.398 1.00 0.00 C ATOM 230 O THR A 19 -14.024 -4.716 -11.481 1.00 0.00 O ATOM 231 CB THR A 19 -16.453 -5.764 -10.436 1.00 0.00 C ATOM 232 OG1 THR A 19 -17.077 -4.746 -11.226 1.00 0.00 O ATOM 233 CG2 THR A 19 -17.502 -6.480 -9.600 1.00 0.00 C ATOM 0 H THR A 19 -16.865 -3.948 -8.687 1.00 0.00 H new ATOM 0 HA THR A 19 -14.796 -5.941 -9.065 1.00 0.00 H new ATOM 0 HB THR A 19 -15.977 -6.492 -11.093 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.765 -5.150 -11.795 1.00 0.00 H new ATOM 0 HG21 THR A 19 -18.258 -6.911 -10.256 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.028 -7.274 -9.023 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.973 -5.769 -8.921 1.00 0.00 H new ATOM 241 N SER A 20 -14.101 -3.107 -9.910 1.00 0.00 N ATOM 242 CA SER A 20 -13.219 -2.202 -10.636 1.00 0.00 C ATOM 243 C SER A 20 -12.023 -1.803 -9.776 1.00 0.00 C ATOM 244 O SER A 20 -12.154 -1.488 -8.593 1.00 0.00 O ATOM 245 CB SER A 20 -13.984 -0.953 -11.077 1.00 0.00 C ATOM 246 OG SER A 20 -13.358 -0.336 -12.188 1.00 0.00 O ATOM 0 H SER A 20 -14.429 -2.747 -9.014 1.00 0.00 H new ATOM 0 HA SER A 20 -12.852 -2.724 -11.519 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.008 -1.223 -11.336 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.041 -0.246 -10.249 1.00 0.00 H new ATOM 0 HG SER A 20 -13.868 0.459 -12.451 1.00 0.00 H new ATOM 252 N PRO A 21 -10.828 -1.815 -10.384 1.00 0.00 N ATOM 253 CA PRO A 21 -9.585 -1.457 -9.695 1.00 0.00 C ATOM 254 C PRO A 21 -9.512 0.031 -9.367 1.00 0.00 C ATOM 255 O PRO A 21 -10.256 0.848 -9.909 1.00 0.00 O ATOM 256 CB PRO A 21 -8.497 -1.836 -10.703 1.00 0.00 C ATOM 257 CG PRO A 21 -9.171 -1.767 -12.030 1.00 0.00 C ATOM 258 CD PRO A 21 -10.597 -2.179 -11.792 1.00 0.00 C ATOM 0 HA PRO A 21 -9.491 -1.965 -8.735 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.653 -1.149 -10.651 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.107 -2.835 -10.508 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.120 -0.759 -12.442 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.688 -2.430 -12.748 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.283 -1.657 -12.459 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.740 -3.247 -11.960 1.00 0.00 H new ATOM 266 N PRO A 22 -8.595 0.393 -8.458 1.00 0.00 N ATOM 267 CA PRO A 22 -8.402 1.784 -8.038 1.00 0.00 C ATOM 268 C PRO A 22 -7.792 2.643 -9.140 1.00 0.00 C ATOM 269 O PRO A 22 -7.326 2.128 -10.157 1.00 0.00 O ATOM 270 CB PRO A 22 -7.438 1.668 -6.855 1.00 0.00 C ATOM 271 CG PRO A 22 -6.700 0.396 -7.092 1.00 0.00 C ATOM 272 CD PRO A 22 -7.674 -0.528 -7.771 1.00 0.00 C ATOM 0 HA PRO A 22 -9.346 2.269 -7.790 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.758 2.519 -6.814 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.976 1.643 -5.907 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.822 0.565 -7.716 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -6.347 -0.031 -6.153 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.173 -1.194 -8.474 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -8.198 -1.158 -7.052 1.00 0.00 H new ATOM 280 N LYS A 23 -7.799 3.956 -8.933 1.00 0.00 N ATOM 281 CA LYS A 23 -7.244 4.888 -9.908 1.00 0.00 C ATOM 282 C LYS A 23 -6.262 5.848 -9.246 1.00 0.00 C ATOM 283 O LYS A 23 -6.028 5.777 -8.039 1.00 0.00 O ATOM 284 CB LYS A 23 -8.367 5.677 -10.585 1.00 0.00 C ATOM 285 CG LYS A 23 -9.585 4.834 -10.924 1.00 0.00 C ATOM 286 CD LYS A 23 -10.528 5.569 -11.861 1.00 0.00 C ATOM 287 CE LYS A 23 -10.056 5.486 -13.305 1.00 0.00 C ATOM 288 NZ LYS A 23 -9.915 4.075 -13.762 1.00 0.00 N ATOM 0 H LYS A 23 -8.183 4.399 -8.098 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.708 4.311 -10.661 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.672 6.493 -9.930 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.982 6.128 -11.499 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.265 3.900 -11.387 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.113 4.571 -10.008 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.528 5.144 -11.779 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.600 6.614 -11.560 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.764 6.007 -13.949 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.099 5.997 -13.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.030 4.031 -14.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.973 3.719 -13.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.644 3.489 -13.308 1.00 0.00 H new ATOM 302 N ASP A 24 -5.690 6.745 -10.042 1.00 0.00 N ATOM 303 CA ASP A 24 -4.734 7.721 -9.532 1.00 0.00 C ATOM 304 C ASP A 24 -3.617 7.032 -8.754 1.00 0.00 C ATOM 305 O ASP A 24 -3.117 7.565 -7.763 1.00 0.00 O ATOM 306 CB ASP A 24 -5.442 8.740 -8.637 1.00 0.00 C ATOM 307 CG ASP A 24 -4.773 10.100 -8.667 1.00 0.00 C ATOM 308 OD1 ASP A 24 -3.530 10.147 -8.785 1.00 0.00 O ATOM 309 OD2 ASP A 24 -5.491 11.117 -8.572 1.00 0.00 O ATOM 0 H ASP A 24 -5.872 6.816 -11.043 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.293 8.240 -10.383 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.479 8.841 -8.957 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.459 8.369 -7.612 1.00 0.00 H new ATOM 314 N VAL A 25 -3.231 5.845 -9.209 1.00 0.00 N ATOM 315 CA VAL A 25 -2.173 5.083 -8.557 1.00 0.00 C ATOM 316 C VAL A 25 -0.821 5.768 -8.721 1.00 0.00 C ATOM 317 O VAL A 25 -0.250 5.788 -9.811 1.00 0.00 O ATOM 318 CB VAL A 25 -2.082 3.652 -9.120 1.00 0.00 C ATOM 319 CG1 VAL A 25 -0.866 2.932 -8.556 1.00 0.00 C ATOM 320 CG2 VAL A 25 -3.357 2.879 -8.817 1.00 0.00 C ATOM 0 H VAL A 25 -3.635 5.390 -10.027 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.426 5.033 -7.498 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.969 3.713 -10.202 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.819 1.923 -8.965 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.038 3.477 -8.828 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.945 2.880 -7.470 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.276 1.870 -9.222 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.503 2.826 -7.738 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.207 3.386 -9.274 1.00 0.00 H new ATOM 330 N THR A 26 -0.312 6.331 -7.629 1.00 0.00 N ATOM 331 CA THR A 26 0.972 7.018 -7.650 1.00 0.00 C ATOM 332 C THR A 26 1.813 6.651 -6.433 1.00 0.00 C ATOM 333 O THR A 26 1.286 6.457 -5.338 1.00 0.00 O ATOM 334 CB THR A 26 0.791 8.547 -7.693 1.00 0.00 C ATOM 335 OG1 THR A 26 -0.165 8.955 -6.708 1.00 0.00 O ATOM 336 CG2 THR A 26 0.331 8.999 -9.071 1.00 0.00 C ATOM 0 H THR A 26 -0.771 6.324 -6.718 1.00 0.00 H new ATOM 0 HA THR A 26 1.487 6.695 -8.555 1.00 0.00 H new ATOM 0 HB THR A 26 1.754 9.011 -7.478 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.273 9.928 -6.741 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.210 10.082 -9.077 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.075 8.713 -9.815 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.622 8.526 -9.310 1.00 0.00 H new ATOM 344 N VAL A 27 3.124 6.559 -6.631 1.00 0.00 N ATOM 345 CA VAL A 27 4.039 6.218 -5.548 1.00 0.00 C ATOM 346 C VAL A 27 5.235 7.163 -5.519 1.00 0.00 C ATOM 347 O VAL A 27 6.072 7.150 -6.422 1.00 0.00 O ATOM 348 CB VAL A 27 4.547 4.769 -5.678 1.00 0.00 C ATOM 349 CG1 VAL A 27 5.494 4.431 -4.537 1.00 0.00 C ATOM 350 CG2 VAL A 27 3.378 3.797 -5.717 1.00 0.00 C ATOM 0 H VAL A 27 3.577 6.716 -7.532 1.00 0.00 H new ATOM 0 HA VAL A 27 3.479 6.318 -4.618 1.00 0.00 H new ATOM 0 HB VAL A 27 5.098 4.678 -6.614 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.842 3.404 -4.646 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.348 5.108 -4.560 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.971 4.538 -3.586 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.755 2.778 -5.809 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.798 3.888 -4.798 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.742 4.027 -6.572 1.00 0.00 H new ATOM 360 N VAL A 28 5.309 7.984 -4.476 1.00 0.00 N ATOM 361 CA VAL A 28 6.403 8.935 -4.328 1.00 0.00 C ATOM 362 C VAL A 28 7.247 8.616 -3.099 1.00 0.00 C ATOM 363 O VAL A 28 6.933 7.700 -2.339 1.00 0.00 O ATOM 364 CB VAL A 28 5.879 10.380 -4.217 1.00 0.00 C ATOM 365 CG1 VAL A 28 5.166 10.790 -5.496 1.00 0.00 C ATOM 366 CG2 VAL A 28 4.958 10.520 -3.014 1.00 0.00 C ATOM 0 H VAL A 28 4.624 8.009 -3.721 1.00 0.00 H new ATOM 0 HA VAL A 28 7.021 8.848 -5.222 1.00 0.00 H new ATOM 0 HB VAL A 28 6.729 11.047 -4.075 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.803 11.813 -5.398 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.860 10.729 -6.335 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.323 10.122 -5.673 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.597 11.546 -2.950 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.111 9.843 -3.124 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.506 10.271 -2.105 1.00 0.00 H new ATOM 376 N SER A 29 8.320 9.378 -2.911 1.00 0.00 N ATOM 377 CA SER A 29 9.212 9.174 -1.775 1.00 0.00 C ATOM 378 C SER A 29 9.191 10.383 -0.845 1.00 0.00 C ATOM 379 O SER A 29 8.851 11.493 -1.256 1.00 0.00 O ATOM 380 CB SER A 29 10.639 8.914 -2.261 1.00 0.00 C ATOM 381 OG SER A 29 11.591 9.376 -1.318 1.00 0.00 O ATOM 0 H SER A 29 8.593 10.142 -3.530 1.00 0.00 H new ATOM 0 HA SER A 29 8.861 8.304 -1.220 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.780 7.847 -2.431 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.798 9.413 -3.217 1.00 0.00 H new ATOM 0 HG SER A 29 12.486 9.344 -1.715 1.00 0.00 H new ATOM 387 N LYS A 30 9.559 10.160 0.412 1.00 0.00 N ATOM 388 CA LYS A 30 9.585 11.229 1.403 1.00 0.00 C ATOM 389 C LYS A 30 10.970 11.864 1.482 1.00 0.00 C ATOM 390 O LYS A 30 11.983 11.187 1.311 1.00 0.00 O ATOM 391 CB LYS A 30 9.181 10.690 2.777 1.00 0.00 C ATOM 392 CG LYS A 30 8.967 11.775 3.818 1.00 0.00 C ATOM 393 CD LYS A 30 8.008 11.322 4.907 1.00 0.00 C ATOM 394 CE LYS A 30 7.365 12.506 5.611 1.00 0.00 C ATOM 395 NZ LYS A 30 6.644 12.092 6.847 1.00 0.00 N ATOM 0 H LYS A 30 9.844 9.248 0.769 1.00 0.00 H new ATOM 0 HA LYS A 30 8.871 11.993 1.095 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.264 10.110 2.675 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.953 10.006 3.131 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.924 12.046 4.264 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.575 12.671 3.336 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.233 10.692 4.471 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.544 10.712 5.634 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.132 13.237 5.866 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.669 12.998 4.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.220 12.928 7.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.895 11.413 6.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.313 11.645 7.506 1.00 0.00 H new ATOM 409 N GLU A 31 11.005 13.167 1.744 1.00 0.00 N ATOM 410 CA GLU A 31 12.266 13.892 1.846 1.00 0.00 C ATOM 411 C GLU A 31 12.977 13.564 3.156 1.00 0.00 C ATOM 412 O GLU A 31 14.034 12.933 3.160 1.00 0.00 O ATOM 413 CB GLU A 31 12.023 15.399 1.748 1.00 0.00 C ATOM 414 CG GLU A 31 13.278 16.232 1.951 1.00 0.00 C ATOM 415 CD GLU A 31 14.281 16.060 0.827 1.00 0.00 C ATOM 416 OE1 GLU A 31 13.943 16.395 -0.327 1.00 0.00 O ATOM 417 OE2 GLU A 31 15.405 15.589 1.102 1.00 0.00 O ATOM 0 H GLU A 31 10.175 13.742 1.889 1.00 0.00 H new ATOM 0 HA GLU A 31 12.903 13.580 1.019 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.600 15.627 0.770 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.281 15.688 2.492 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.003 17.284 2.029 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.745 15.954 2.896 1.00 0.00 H new ATOM 424 N GLY A 32 12.389 13.998 4.267 1.00 0.00 N ATOM 425 CA GLY A 32 12.980 13.742 5.567 1.00 0.00 C ATOM 426 C GLY A 32 13.645 12.382 5.645 1.00 0.00 C ATOM 427 O GLY A 32 14.694 12.230 6.271 1.00 0.00 O ATOM 0 H GLY A 32 11.514 14.522 4.290 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.716 14.516 5.787 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.208 13.810 6.333 1.00 0.00 H new ATOM 431 N LYS A 33 13.032 11.389 5.009 1.00 0.00 N ATOM 432 CA LYS A 33 13.570 10.034 5.008 1.00 0.00 C ATOM 433 C LYS A 33 13.424 9.391 3.632 1.00 0.00 C ATOM 434 O LYS A 33 12.358 9.421 3.017 1.00 0.00 O ATOM 435 CB LYS A 33 12.858 9.180 6.060 1.00 0.00 C ATOM 436 CG LYS A 33 13.784 8.232 6.802 1.00 0.00 C ATOM 437 CD LYS A 33 13.924 6.906 6.074 1.00 0.00 C ATOM 438 CE LYS A 33 14.983 6.025 6.719 1.00 0.00 C ATOM 439 NZ LYS A 33 16.352 6.582 6.540 1.00 0.00 N ATOM 0 H LYS A 33 12.162 11.498 4.488 1.00 0.00 H new ATOM 0 HA LYS A 33 14.631 10.091 5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.371 9.837 6.781 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.072 8.601 5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.766 8.693 6.912 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.399 8.058 7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.966 6.386 6.076 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.186 7.088 5.032 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.770 5.921 7.783 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.938 5.026 6.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.031 6.019 7.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.612 6.548 5.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.371 7.568 6.869 1.00 0.00 H new ATOM 453 N PRO A 34 14.519 8.795 3.137 1.00 0.00 N ATOM 454 CA PRO A 34 14.536 8.132 1.830 1.00 0.00 C ATOM 455 C PRO A 34 13.713 6.849 1.820 1.00 0.00 C ATOM 456 O PRO A 34 12.859 6.653 0.955 1.00 0.00 O ATOM 457 CB PRO A 34 16.018 7.819 1.611 1.00 0.00 C ATOM 458 CG PRO A 34 16.594 7.736 2.982 1.00 0.00 C ATOM 459 CD PRO A 34 15.823 8.722 3.816 1.00 0.00 C ATOM 0 HA PRO A 34 14.098 8.756 1.051 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.149 6.882 1.069 1.00 0.00 H new ATOM 0 HB3 PRO A 34 16.505 8.598 1.024 1.00 0.00 H new ATOM 0 HG2 PRO A 34 16.500 6.727 3.384 1.00 0.00 H new ATOM 0 HG3 PRO A 34 17.657 7.978 2.974 1.00 0.00 H new ATOM 0 HD2 PRO A 34 15.721 8.383 4.847 1.00 0.00 H new ATOM 0 HD3 PRO A 34 16.315 9.694 3.847 1.00 0.00 H new ATOM 467 N LYS A 35 13.975 5.976 2.787 1.00 0.00 N ATOM 468 CA LYS A 35 13.257 4.711 2.891 1.00 0.00 C ATOM 469 C LYS A 35 11.749 4.938 2.882 1.00 0.00 C ATOM 470 O LYS A 35 11.005 4.215 2.219 1.00 0.00 O ATOM 471 CB LYS A 35 13.665 3.974 4.169 1.00 0.00 C ATOM 472 CG LYS A 35 15.125 3.555 4.190 1.00 0.00 C ATOM 473 CD LYS A 35 15.336 2.313 5.039 1.00 0.00 C ATOM 474 CE LYS A 35 15.675 2.672 6.478 1.00 0.00 C ATOM 475 NZ LYS A 35 16.878 3.546 6.563 1.00 0.00 N ATOM 0 H LYS A 35 14.680 6.121 3.510 1.00 0.00 H new ATOM 0 HA LYS A 35 13.519 4.101 2.027 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.468 4.616 5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.040 3.088 4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.464 3.363 3.172 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.733 4.371 4.580 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.435 1.700 5.019 1.00 0.00 H new ATOM 0 HD3 LYS A 35 16.140 1.713 4.614 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.825 3.178 6.936 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.848 1.760 7.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.809 4.151 7.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.732 2.956 6.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.934 4.143 5.713 1.00 0.00 H new ATOM 489 N THR A 36 11.303 5.949 3.622 1.00 0.00 N ATOM 490 CA THR A 36 9.884 6.272 3.698 1.00 0.00 C ATOM 491 C THR A 36 9.339 6.684 2.335 1.00 0.00 C ATOM 492 O THR A 36 10.009 7.385 1.575 1.00 0.00 O ATOM 493 CB THR A 36 9.619 7.405 4.708 1.00 0.00 C ATOM 494 OG1 THR A 36 10.199 7.076 5.976 1.00 0.00 O ATOM 495 CG2 THR A 36 8.126 7.644 4.874 1.00 0.00 C ATOM 0 H THR A 36 11.904 6.558 4.177 1.00 0.00 H new ATOM 0 HA THR A 36 9.373 5.369 4.033 1.00 0.00 H new ATOM 0 HB THR A 36 10.076 8.318 4.325 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.028 7.802 6.612 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.964 8.448 5.592 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.693 7.922 3.913 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.650 6.733 5.236 1.00 0.00 H new ATOM 503 N ILE A 37 8.122 6.246 2.033 1.00 0.00 N ATOM 504 CA ILE A 37 7.487 6.572 0.762 1.00 0.00 C ATOM 505 C ILE A 37 5.989 6.796 0.936 1.00 0.00 C ATOM 506 O ILE A 37 5.383 6.294 1.884 1.00 0.00 O ATOM 507 CB ILE A 37 7.711 5.460 -0.280 1.00 0.00 C ATOM 508 CG1 ILE A 37 7.043 4.162 0.176 1.00 0.00 C ATOM 509 CG2 ILE A 37 9.199 5.244 -0.513 1.00 0.00 C ATOM 510 CD1 ILE A 37 6.696 3.228 -0.962 1.00 0.00 C ATOM 0 H ILE A 37 7.556 5.665 2.651 1.00 0.00 H new ATOM 0 HA ILE A 37 7.950 7.492 0.405 1.00 0.00 H new ATOM 0 HB ILE A 37 7.257 5.768 -1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.707 3.646 0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.134 4.405 0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.341 4.455 -1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.648 6.168 -0.878 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.676 4.954 0.423 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.226 2.329 -0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.007 3.726 -1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.605 2.955 -1.499 1.00 0.00 H new ATOM 522 N ILE A 38 5.398 7.550 0.016 1.00 0.00 N ATOM 523 CA ILE A 38 3.970 7.838 0.067 1.00 0.00 C ATOM 524 C ILE A 38 3.258 7.307 -1.172 1.00 0.00 C ATOM 525 O ILE A 38 3.687 7.551 -2.300 1.00 0.00 O ATOM 526 CB ILE A 38 3.704 9.350 0.190 1.00 0.00 C ATOM 527 CG1 ILE A 38 4.363 9.904 1.455 1.00 0.00 C ATOM 528 CG2 ILE A 38 2.208 9.625 0.202 1.00 0.00 C ATOM 529 CD1 ILE A 38 5.787 10.367 1.241 1.00 0.00 C ATOM 0 H ILE A 38 5.886 7.973 -0.774 1.00 0.00 H new ATOM 0 HA ILE A 38 3.578 7.336 0.952 1.00 0.00 H new ATOM 0 HB ILE A 38 4.139 9.852 -0.674 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.770 10.739 1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.352 9.135 2.227 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.036 10.698 0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.764 9.260 -0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.751 9.114 1.049 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.191 10.747 2.179 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.394 9.529 0.897 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.804 11.158 0.492 1.00 0.00 H new ATOM 541 N VAL A 39 2.165 6.581 -0.956 1.00 0.00 N ATOM 542 CA VAL A 39 1.391 6.018 -2.055 1.00 0.00 C ATOM 543 C VAL A 39 -0.020 6.594 -2.085 1.00 0.00 C ATOM 544 O VAL A 39 -0.828 6.331 -1.195 1.00 0.00 O ATOM 545 CB VAL A 39 1.305 4.484 -1.953 1.00 0.00 C ATOM 546 CG1 VAL A 39 0.305 3.936 -2.960 1.00 0.00 C ATOM 547 CG2 VAL A 39 2.677 3.859 -2.159 1.00 0.00 C ATOM 0 H VAL A 39 1.796 6.369 -0.029 1.00 0.00 H new ATOM 0 HA VAL A 39 1.909 6.285 -2.976 1.00 0.00 H new ATOM 0 HB VAL A 39 0.958 4.223 -0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.258 2.851 -2.873 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.680 4.359 -2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.619 4.206 -3.968 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.598 2.774 -2.084 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.055 4.128 -3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.363 4.227 -1.396 1.00 0.00 H new ATOM 557 N ASN A 40 -0.310 7.382 -3.115 1.00 0.00 N ATOM 558 CA ASN A 40 -1.625 7.996 -3.262 1.00 0.00 C ATOM 559 C ASN A 40 -2.458 7.257 -4.305 1.00 0.00 C ATOM 560 O ASN A 40 -1.918 6.673 -5.244 1.00 0.00 O ATOM 561 CB ASN A 40 -1.483 9.467 -3.656 1.00 0.00 C ATOM 562 CG ASN A 40 -0.417 10.182 -2.847 1.00 0.00 C ATOM 563 OD1 ASN A 40 -0.710 10.809 -1.830 1.00 0.00 O ATOM 564 ND2 ASN A 40 0.829 10.089 -3.299 1.00 0.00 N ATOM 0 H ASN A 40 0.348 7.611 -3.860 1.00 0.00 H new ATOM 0 HA ASN A 40 -2.137 7.931 -2.302 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.237 9.534 -4.716 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.439 9.971 -3.518 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.589 10.549 -2.798 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.025 9.558 -4.147 1.00 0.00 H new ATOM 571 N TRP A 41 -3.774 7.287 -4.133 1.00 0.00 N ATOM 572 CA TRP A 41 -4.682 6.621 -5.060 1.00 0.00 C ATOM 573 C TRP A 41 -6.095 7.179 -4.934 1.00 0.00 C ATOM 574 O TRP A 41 -6.334 8.122 -4.180 1.00 0.00 O ATOM 575 CB TRP A 41 -4.691 5.113 -4.801 1.00 0.00 C ATOM 576 CG TRP A 41 -5.301 4.740 -3.484 1.00 0.00 C ATOM 577 CD1 TRP A 41 -6.626 4.542 -3.221 1.00 0.00 C ATOM 578 CD2 TRP A 41 -4.608 4.523 -2.250 1.00 0.00 C ATOM 579 NE1 TRP A 41 -6.799 4.214 -1.898 1.00 0.00 N ATOM 580 CE2 TRP A 41 -5.577 4.195 -1.281 1.00 0.00 C ATOM 581 CE3 TRP A 41 -3.264 4.571 -1.869 1.00 0.00 C ATOM 582 CZ2 TRP A 41 -5.242 3.919 0.042 1.00 0.00 C ATOM 583 CZ3 TRP A 41 -2.934 4.297 -0.556 1.00 0.00 C ATOM 584 CH2 TRP A 41 -3.919 3.973 0.387 1.00 0.00 C ATOM 0 H TRP A 41 -4.237 7.765 -3.360 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.328 6.807 -6.074 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -5.241 4.617 -5.601 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.668 4.739 -4.838 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.421 4.630 -3.946 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.693 4.017 -1.448 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.497 4.818 -2.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -6.000 3.671 0.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.899 4.333 -0.251 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.628 3.762 1.405 1.00 0.00 H new ATOM 595 N GLN A 42 -7.027 6.592 -5.677 1.00 0.00 N ATOM 596 CA GLN A 42 -8.417 7.033 -5.648 1.00 0.00 C ATOM 597 C GLN A 42 -9.366 5.852 -5.822 1.00 0.00 C ATOM 598 O GLN A 42 -9.011 4.815 -6.384 1.00 0.00 O ATOM 599 CB GLN A 42 -8.668 8.070 -6.744 1.00 0.00 C ATOM 600 CG GLN A 42 -8.340 9.493 -6.322 1.00 0.00 C ATOM 601 CD GLN A 42 -9.157 10.527 -7.071 1.00 0.00 C ATOM 602 OE1 GLN A 42 -9.315 10.446 -8.290 1.00 0.00 O ATOM 603 NE2 GLN A 42 -9.682 11.507 -6.345 1.00 0.00 N ATOM 0 H GLN A 42 -6.845 5.810 -6.306 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.607 7.489 -4.676 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.071 7.813 -7.619 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.714 8.021 -7.046 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.518 9.601 -5.252 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.280 9.682 -6.490 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.526 11.535 -5.337 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.242 12.231 -6.795 1.00 0.00 H new ATOM 612 N PRO A 43 -10.603 6.009 -5.328 1.00 0.00 N ATOM 613 CA PRO A 43 -11.630 4.966 -5.417 1.00 0.00 C ATOM 614 C PRO A 43 -12.120 4.756 -6.846 1.00 0.00 C ATOM 615 O PRO A 43 -12.061 5.653 -7.687 1.00 0.00 O ATOM 616 CB PRO A 43 -12.760 5.505 -4.537 1.00 0.00 C ATOM 617 CG PRO A 43 -12.578 6.984 -4.550 1.00 0.00 C ATOM 618 CD PRO A 43 -11.096 7.218 -4.646 1.00 0.00 C ATOM 0 HA PRO A 43 -11.253 3.994 -5.101 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.737 5.223 -4.930 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.697 5.107 -3.524 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.100 7.434 -5.395 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.987 7.435 -3.646 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.868 8.121 -5.213 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.643 7.337 -3.662 1.00 0.00 H new ATOM 626 N PRO A 44 -12.617 3.542 -7.129 1.00 0.00 N ATOM 627 CA PRO A 44 -13.129 3.186 -8.455 1.00 0.00 C ATOM 628 C PRO A 44 -14.432 3.906 -8.786 1.00 0.00 C ATOM 629 O PRO A 44 -15.268 4.131 -7.911 1.00 0.00 O ATOM 630 CB PRO A 44 -13.362 1.677 -8.352 1.00 0.00 C ATOM 631 CG PRO A 44 -13.577 1.425 -6.900 1.00 0.00 C ATOM 632 CD PRO A 44 -12.719 2.425 -6.175 1.00 0.00 C ATOM 0 HA PRO A 44 -12.438 3.471 -9.249 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.227 1.369 -8.940 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.505 1.118 -8.728 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.627 1.546 -6.634 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.297 0.405 -6.635 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.174 2.739 -5.236 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.739 2.013 -5.932 1.00 0.00 H new ATOM 640 N SER A 45 -14.599 4.264 -10.055 1.00 0.00 N ATOM 641 CA SER A 45 -15.800 4.961 -10.501 1.00 0.00 C ATOM 642 C SER A 45 -17.046 4.124 -10.229 1.00 0.00 C ATOM 643 O SER A 45 -18.038 4.623 -9.698 1.00 0.00 O ATOM 644 CB SER A 45 -15.704 5.283 -11.993 1.00 0.00 C ATOM 645 OG SER A 45 -16.847 5.993 -12.437 1.00 0.00 O ATOM 0 H SER A 45 -13.918 4.083 -10.792 1.00 0.00 H new ATOM 0 HA SER A 45 -15.879 5.892 -9.940 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.808 5.874 -12.184 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.603 4.359 -12.562 1.00 0.00 H new ATOM 0 HG SER A 45 -16.760 6.188 -13.393 1.00 0.00 H new ATOM 651 N GLU A 46 -16.987 2.848 -10.599 1.00 0.00 N ATOM 652 CA GLU A 46 -18.111 1.942 -10.396 1.00 0.00 C ATOM 653 C GLU A 46 -18.651 2.054 -8.973 1.00 0.00 C ATOM 654 O GLU A 46 -19.853 2.213 -8.765 1.00 0.00 O ATOM 655 CB GLU A 46 -17.689 0.499 -10.681 1.00 0.00 C ATOM 656 CG GLU A 46 -17.210 0.274 -12.105 1.00 0.00 C ATOM 657 CD GLU A 46 -18.138 0.885 -13.136 1.00 0.00 C ATOM 658 OE1 GLU A 46 -19.368 0.844 -12.924 1.00 0.00 O ATOM 659 OE2 GLU A 46 -17.636 1.404 -14.155 1.00 0.00 O ATOM 0 H GLU A 46 -16.174 2.419 -11.040 1.00 0.00 H new ATOM 0 HA GLU A 46 -18.903 2.226 -11.089 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -16.893 0.219 -9.991 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -18.532 -0.163 -10.481 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -16.214 0.700 -12.221 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -17.122 -0.797 -12.290 1.00 0.00 H new ATOM 666 N ALA A 47 -17.752 1.970 -7.997 1.00 0.00 N ATOM 667 CA ALA A 47 -18.137 2.063 -6.595 1.00 0.00 C ATOM 668 C ALA A 47 -19.507 1.437 -6.358 1.00 0.00 C ATOM 669 O ALA A 47 -20.390 2.058 -5.767 1.00 0.00 O ATOM 670 CB ALA A 47 -18.133 3.516 -6.142 1.00 0.00 C ATOM 0 H ALA A 47 -16.753 1.838 -8.152 1.00 0.00 H new ATOM 0 HA ALA A 47 -17.407 1.508 -6.006 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -18.423 3.571 -5.093 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -17.133 3.933 -6.265 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -18.840 4.087 -6.744 1.00 0.00 H new ATOM 676 N ASN A 48 -19.678 0.205 -6.824 1.00 0.00 N ATOM 677 CA ASN A 48 -20.942 -0.505 -6.664 1.00 0.00 C ATOM 678 C ASN A 48 -21.606 -0.141 -5.340 1.00 0.00 C ATOM 679 O ASN A 48 -22.831 -0.060 -5.249 1.00 0.00 O ATOM 680 CB ASN A 48 -20.716 -2.016 -6.736 1.00 0.00 C ATOM 681 CG ASN A 48 -20.417 -2.490 -8.145 1.00 0.00 C ATOM 682 OD1 ASN A 48 -20.742 -1.814 -9.121 1.00 0.00 O ATOM 683 ND2 ASN A 48 -19.794 -3.658 -8.257 1.00 0.00 N ATOM 0 H ASN A 48 -18.957 -0.323 -7.316 1.00 0.00 H new ATOM 0 HA ASN A 48 -21.604 -0.205 -7.477 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -19.889 -2.288 -6.081 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -21.601 -2.531 -6.363 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.566 -4.028 -9.180 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -19.543 -4.185 -7.420 1.00 0.00 H new ATOM 690 N GLY A 49 -20.789 0.078 -4.314 1.00 0.00 N ATOM 691 CA GLY A 49 -21.315 0.431 -3.009 1.00 0.00 C ATOM 692 C GLY A 49 -20.452 1.451 -2.293 1.00 0.00 C ATOM 693 O GLY A 49 -19.769 2.254 -2.929 1.00 0.00 O ATOM 0 H GLY A 49 -19.772 0.017 -4.364 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -22.324 0.829 -3.123 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -21.394 -0.468 -2.397 1.00 0.00 H new ATOM 697 N LYS A 50 -20.482 1.422 -0.965 1.00 0.00 N ATOM 698 CA LYS A 50 -19.697 2.350 -0.160 1.00 0.00 C ATOM 699 C LYS A 50 -18.273 1.838 0.028 1.00 0.00 C ATOM 700 O LYS A 50 -17.930 0.748 -0.431 1.00 0.00 O ATOM 701 CB LYS A 50 -20.359 2.560 1.204 1.00 0.00 C ATOM 702 CG LYS A 50 -20.522 1.280 2.005 1.00 0.00 C ATOM 703 CD LYS A 50 -21.362 1.504 3.251 1.00 0.00 C ATOM 704 CE LYS A 50 -22.847 1.540 2.922 1.00 0.00 C ATOM 705 NZ LYS A 50 -23.685 1.218 4.110 1.00 0.00 N ATOM 0 H LYS A 50 -21.043 0.765 -0.423 1.00 0.00 H new ATOM 0 HA LYS A 50 -19.655 3.303 -0.687 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -19.764 3.267 1.782 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -21.339 3.014 1.057 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -20.990 0.517 1.382 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -19.541 0.901 2.290 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -21.167 0.709 3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -21.070 2.441 3.724 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -23.112 2.529 2.547 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -23.060 0.829 2.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -24.690 1.253 3.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -23.450 0.265 4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -23.501 1.911 4.863 1.00 0.00 H new ATOM 719 N ILE A 51 -17.449 2.630 0.705 1.00 0.00 N ATOM 720 CA ILE A 51 -16.063 2.255 0.955 1.00 0.00 C ATOM 721 C ILE A 51 -15.684 2.490 2.414 1.00 0.00 C ATOM 722 O ILE A 51 -15.797 3.605 2.924 1.00 0.00 O ATOM 723 CB ILE A 51 -15.095 3.041 0.052 1.00 0.00 C ATOM 724 CG1 ILE A 51 -15.599 3.043 -1.393 1.00 0.00 C ATOM 725 CG2 ILE A 51 -13.697 2.447 0.130 1.00 0.00 C ATOM 726 CD1 ILE A 51 -15.596 1.674 -2.036 1.00 0.00 C ATOM 0 H ILE A 51 -17.717 3.536 1.090 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.978 1.193 0.727 1.00 0.00 H new ATOM 0 HB ILE A 51 -15.050 4.072 0.403 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -16.612 3.444 -1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.978 3.715 -1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -13.024 3.014 -0.514 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.339 2.493 1.159 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -13.724 1.408 -0.199 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -15.965 1.752 -3.059 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.580 1.279 -2.046 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -16.240 1.004 -1.467 1.00 0.00 H new ATOM 738 N THR A 52 -15.231 1.433 3.080 1.00 0.00 N ATOM 739 CA THR A 52 -14.834 1.524 4.479 1.00 0.00 C ATOM 740 C THR A 52 -13.327 1.711 4.613 1.00 0.00 C ATOM 741 O THR A 52 -12.855 2.400 5.516 1.00 0.00 O ATOM 742 CB THR A 52 -15.256 0.268 5.265 1.00 0.00 C ATOM 743 OG1 THR A 52 -14.397 -0.829 4.933 1.00 0.00 O ATOM 744 CG2 THR A 52 -16.700 -0.102 4.962 1.00 0.00 C ATOM 0 H THR A 52 -15.130 0.503 2.673 1.00 0.00 H new ATOM 0 HA THR A 52 -15.343 2.393 4.896 1.00 0.00 H new ATOM 0 HB THR A 52 -15.170 0.487 6.329 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.671 -1.623 5.438 1.00 0.00 H new ATOM 0 HG21 THR A 52 -16.974 -0.992 5.529 1.00 0.00 H new ATOM 0 HG22 THR A 52 -17.354 0.723 5.244 1.00 0.00 H new ATOM 0 HG23 THR A 52 -16.808 -0.303 3.896 1.00 0.00 H new ATOM 752 N GLY A 53 -12.576 1.093 3.705 1.00 0.00 N ATOM 753 CA GLY A 53 -11.130 1.205 3.739 1.00 0.00 C ATOM 754 C GLY A 53 -10.470 0.568 2.532 1.00 0.00 C ATOM 755 O GLY A 53 -11.144 0.209 1.566 1.00 0.00 O ATOM 0 H GLY A 53 -12.944 0.517 2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.851 2.258 3.788 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.753 0.733 4.646 1.00 0.00 H new ATOM 759 N TYR A 54 -9.151 0.429 2.586 1.00 0.00 N ATOM 760 CA TYR A 54 -8.399 -0.165 1.487 1.00 0.00 C ATOM 761 C TYR A 54 -7.255 -1.027 2.012 1.00 0.00 C ATOM 762 O TYR A 54 -6.970 -1.037 3.210 1.00 0.00 O ATOM 763 CB TYR A 54 -7.849 0.927 0.568 1.00 0.00 C ATOM 764 CG TYR A 54 -8.892 1.931 0.129 1.00 0.00 C ATOM 765 CD1 TYR A 54 -9.314 2.942 0.982 1.00 0.00 C ATOM 766 CD2 TYR A 54 -9.453 1.867 -1.141 1.00 0.00 C ATOM 767 CE1 TYR A 54 -10.266 3.861 0.585 1.00 0.00 C ATOM 768 CE2 TYR A 54 -10.405 2.782 -1.547 1.00 0.00 C ATOM 769 CZ TYR A 54 -10.809 3.776 -0.680 1.00 0.00 C ATOM 770 OH TYR A 54 -11.757 4.690 -1.080 1.00 0.00 O ATOM 0 H TYR A 54 -8.580 0.720 3.379 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.078 -0.801 0.919 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.045 1.453 1.083 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.411 0.461 -0.315 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.891 3.011 1.973 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -9.140 1.089 -1.822 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.583 4.641 1.261 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.831 2.719 -2.538 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.757 5.452 -0.464 1.00 0.00 H new ATOM 780 N ILE A 55 -6.604 -1.749 1.107 1.00 0.00 N ATOM 781 CA ILE A 55 -5.490 -2.614 1.477 1.00 0.00 C ATOM 782 C ILE A 55 -4.367 -2.535 0.448 1.00 0.00 C ATOM 783 O ILE A 55 -4.607 -2.632 -0.756 1.00 0.00 O ATOM 784 CB ILE A 55 -5.939 -4.080 1.620 1.00 0.00 C ATOM 785 CG1 ILE A 55 -7.068 -4.193 2.646 1.00 0.00 C ATOM 786 CG2 ILE A 55 -4.762 -4.957 2.020 1.00 0.00 C ATOM 787 CD1 ILE A 55 -7.943 -5.411 2.450 1.00 0.00 C ATOM 0 H ILE A 55 -6.828 -1.753 0.112 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.122 -2.260 2.440 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.314 -4.426 0.657 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.637 -4.223 3.647 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.688 -3.298 2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.095 -5.990 2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.987 -4.896 1.256 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.360 -4.614 2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.722 -5.426 3.213 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.403 -5.373 1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.336 -6.312 2.533 1.00 0.00 H new ATOM 799 N ILE A 56 -3.142 -2.360 0.930 1.00 0.00 N ATOM 800 CA ILE A 56 -1.982 -2.272 0.052 1.00 0.00 C ATOM 801 C ILE A 56 -1.071 -3.484 0.221 1.00 0.00 C ATOM 802 O ILE A 56 -0.770 -3.896 1.341 1.00 0.00 O ATOM 803 CB ILE A 56 -1.169 -0.992 0.321 1.00 0.00 C ATOM 804 CG1 ILE A 56 -2.052 0.245 0.145 1.00 0.00 C ATOM 805 CG2 ILE A 56 0.036 -0.925 -0.606 1.00 0.00 C ATOM 806 CD1 ILE A 56 -1.437 1.511 0.700 1.00 0.00 C ATOM 0 H ILE A 56 -2.927 -2.276 1.924 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.361 -2.245 -0.970 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.810 -1.016 1.350 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.258 0.386 -0.916 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.010 0.071 0.636 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.601 -0.015 -0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.674 -1.793 -0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.302 -0.920 -1.642 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.118 2.347 0.540 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.256 1.390 1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.493 1.710 0.192 1.00 0.00 H new ATOM 818 N TYR A 57 -0.635 -4.049 -0.899 1.00 0.00 N ATOM 819 CA TYR A 57 0.242 -5.214 -0.876 1.00 0.00 C ATOM 820 C TYR A 57 1.557 -4.920 -1.590 1.00 0.00 C ATOM 821 O TYR A 57 1.571 -4.552 -2.765 1.00 0.00 O ATOM 822 CB TYR A 57 -0.450 -6.412 -1.529 1.00 0.00 C ATOM 823 CG TYR A 57 -1.864 -6.634 -1.042 1.00 0.00 C ATOM 824 CD1 TYR A 57 -2.916 -5.868 -1.529 1.00 0.00 C ATOM 825 CD2 TYR A 57 -2.148 -7.610 -0.095 1.00 0.00 C ATOM 826 CE1 TYR A 57 -4.209 -6.067 -1.087 1.00 0.00 C ATOM 827 CE2 TYR A 57 -3.439 -7.817 0.352 1.00 0.00 C ATOM 828 CZ TYR A 57 -4.466 -7.043 -0.146 1.00 0.00 C ATOM 829 OH TYR A 57 -5.752 -7.245 0.298 1.00 0.00 O ATOM 0 H TYR A 57 -0.874 -3.719 -1.834 1.00 0.00 H new ATOM 0 HA TYR A 57 0.461 -5.452 0.165 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -0.465 -6.268 -2.609 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.137 -7.310 -1.336 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.719 -5.104 -2.266 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -1.346 -8.217 0.298 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -5.015 -5.462 -1.476 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.643 -8.581 1.088 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.385 -6.955 -0.391 1.00 0.00 H new ATOM 839 N TYR A 58 2.663 -5.087 -0.872 1.00 0.00 N ATOM 840 CA TYR A 58 3.984 -4.838 -1.435 1.00 0.00 C ATOM 841 C TYR A 58 4.949 -5.965 -1.077 1.00 0.00 C ATOM 842 O TYR A 58 4.806 -6.614 -0.041 1.00 0.00 O ATOM 843 CB TYR A 58 4.533 -3.502 -0.931 1.00 0.00 C ATOM 844 CG TYR A 58 5.000 -3.542 0.506 1.00 0.00 C ATOM 845 CD1 TYR A 58 6.130 -4.264 0.871 1.00 0.00 C ATOM 846 CD2 TYR A 58 4.311 -2.857 1.500 1.00 0.00 C ATOM 847 CE1 TYR A 58 6.559 -4.304 2.184 1.00 0.00 C ATOM 848 CE2 TYR A 58 4.734 -2.890 2.815 1.00 0.00 C ATOM 849 CZ TYR A 58 5.858 -3.615 3.152 1.00 0.00 C ATOM 850 OH TYR A 58 6.283 -3.651 4.460 1.00 0.00 O ATOM 0 H TYR A 58 2.670 -5.394 0.101 1.00 0.00 H new ATOM 0 HA TYR A 58 3.887 -4.797 -2.520 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.365 -3.198 -1.566 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.760 -2.740 -1.032 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.682 -4.803 0.116 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.430 -2.289 1.240 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.438 -4.872 2.451 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.188 -2.351 3.575 1.00 0.00 H new ATOM 0 HH TYR A 58 5.680 -3.113 5.015 1.00 0.00 H new ATOM 860 N SER A 59 5.933 -6.189 -1.942 1.00 0.00 N ATOM 861 CA SER A 59 6.921 -7.239 -1.720 1.00 0.00 C ATOM 862 C SER A 59 8.053 -7.143 -2.738 1.00 0.00 C ATOM 863 O SER A 59 7.832 -6.799 -3.900 1.00 0.00 O ATOM 864 CB SER A 59 6.261 -8.616 -1.802 1.00 0.00 C ATOM 865 OG SER A 59 7.051 -9.600 -1.158 1.00 0.00 O ATOM 0 H SER A 59 6.068 -5.658 -2.802 1.00 0.00 H new ATOM 0 HA SER A 59 7.340 -7.105 -0.723 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.274 -8.578 -1.340 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.113 -8.890 -2.847 1.00 0.00 H new ATOM 0 HG SER A 59 7.496 -10.155 -1.832 1.00 0.00 H new ATOM 871 N THR A 60 9.268 -7.450 -2.294 1.00 0.00 N ATOM 872 CA THR A 60 10.436 -7.399 -3.164 1.00 0.00 C ATOM 873 C THR A 60 10.182 -8.142 -4.470 1.00 0.00 C ATOM 874 O THR A 60 10.394 -7.601 -5.556 1.00 0.00 O ATOM 875 CB THR A 60 11.676 -8.000 -2.477 1.00 0.00 C ATOM 876 OG1 THR A 60 11.505 -9.412 -2.308 1.00 0.00 O ATOM 877 CG2 THR A 60 11.915 -7.348 -1.124 1.00 0.00 C ATOM 0 H THR A 60 9.468 -7.737 -1.336 1.00 0.00 H new ATOM 0 HA THR A 60 10.624 -6.347 -3.379 1.00 0.00 H new ATOM 0 HB THR A 60 12.543 -7.812 -3.111 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.298 -9.788 -1.872 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.796 -7.789 -0.658 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.073 -6.278 -1.259 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.047 -7.509 -0.484 1.00 0.00 H new ATOM 885 N ASP A 61 9.725 -9.385 -4.359 1.00 0.00 N ATOM 886 CA ASP A 61 9.440 -10.203 -5.532 1.00 0.00 C ATOM 887 C ASP A 61 8.164 -9.734 -6.224 1.00 0.00 C ATOM 888 O ASP A 61 7.308 -9.099 -5.607 1.00 0.00 O ATOM 889 CB ASP A 61 9.309 -11.674 -5.135 1.00 0.00 C ATOM 890 CG ASP A 61 8.661 -11.851 -3.775 1.00 0.00 C ATOM 891 OD1 ASP A 61 7.858 -10.980 -3.383 1.00 0.00 O ATOM 892 OD2 ASP A 61 8.958 -12.862 -3.105 1.00 0.00 O ATOM 0 H ASP A 61 9.544 -9.848 -3.468 1.00 0.00 H new ATOM 0 HA ASP A 61 10.271 -10.096 -6.230 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.719 -12.199 -5.886 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.297 -12.134 -5.126 1.00 0.00 H new ATOM 897 N VAL A 62 8.043 -10.051 -7.509 1.00 0.00 N ATOM 898 CA VAL A 62 6.872 -9.662 -8.286 1.00 0.00 C ATOM 899 C VAL A 62 6.031 -10.878 -8.658 1.00 0.00 C ATOM 900 O VAL A 62 4.828 -10.767 -8.888 1.00 0.00 O ATOM 901 CB VAL A 62 7.273 -8.916 -9.572 1.00 0.00 C ATOM 902 CG1 VAL A 62 8.137 -9.803 -10.456 1.00 0.00 C ATOM 903 CG2 VAL A 62 6.036 -8.445 -10.322 1.00 0.00 C ATOM 0 H VAL A 62 8.742 -10.576 -8.034 1.00 0.00 H new ATOM 0 HA VAL A 62 6.283 -8.994 -7.657 1.00 0.00 H new ATOM 0 HB VAL A 62 7.858 -8.039 -9.296 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.411 -9.259 -11.360 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.040 -10.086 -9.915 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.580 -10.700 -10.727 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.338 -7.920 -11.228 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.423 -9.306 -10.589 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.460 -7.772 -9.687 1.00 0.00 H new ATOM 913 N ASN A 63 6.674 -12.040 -8.714 1.00 0.00 N ATOM 914 CA ASN A 63 5.985 -13.279 -9.058 1.00 0.00 C ATOM 915 C ASN A 63 5.505 -14.002 -7.803 1.00 0.00 C ATOM 916 O ASN A 63 4.682 -14.913 -7.876 1.00 0.00 O ATOM 917 CB ASN A 63 6.908 -14.194 -9.865 1.00 0.00 C ATOM 918 CG ASN A 63 7.685 -13.439 -10.927 1.00 0.00 C ATOM 919 OD1 ASN A 63 8.912 -13.356 -10.873 1.00 0.00 O ATOM 920 ND2 ASN A 63 6.971 -12.885 -11.900 1.00 0.00 N ATOM 0 H ASN A 63 7.670 -12.150 -8.526 1.00 0.00 H new ATOM 0 HA ASN A 63 5.116 -13.025 -9.664 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.607 -14.688 -9.190 1.00 0.00 H new ATOM 0 HB3 ASN A 63 6.316 -14.976 -10.339 1.00 0.00 H new ATOM 0 HD21 ASN A 63 7.438 -12.365 -12.643 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.955 -12.979 -11.905 1.00 0.00 H new ATOM 927 N ALA A 64 6.026 -13.587 -6.653 1.00 0.00 N ATOM 928 CA ALA A 64 5.649 -14.192 -5.381 1.00 0.00 C ATOM 929 C ALA A 64 4.134 -14.225 -5.216 1.00 0.00 C ATOM 930 O ALA A 64 3.440 -13.277 -5.583 1.00 0.00 O ATOM 931 CB ALA A 64 6.292 -13.438 -4.227 1.00 0.00 C ATOM 0 H ALA A 64 6.710 -12.834 -6.576 1.00 0.00 H new ATOM 0 HA ALA A 64 6.011 -15.220 -5.375 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.002 -13.901 -3.284 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.377 -13.472 -4.329 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.959 -12.400 -4.240 1.00 0.00 H new ATOM 937 N GLU A 65 3.627 -15.322 -4.663 1.00 0.00 N ATOM 938 CA GLU A 65 2.192 -15.477 -4.451 1.00 0.00 C ATOM 939 C GLU A 65 1.624 -14.289 -3.681 1.00 0.00 C ATOM 940 O GLU A 65 2.222 -13.822 -2.711 1.00 0.00 O ATOM 941 CB GLU A 65 1.904 -16.775 -3.694 1.00 0.00 C ATOM 942 CG GLU A 65 1.891 -18.008 -4.582 1.00 0.00 C ATOM 943 CD GLU A 65 3.049 -18.035 -5.561 1.00 0.00 C ATOM 944 OE1 GLU A 65 3.141 -17.112 -6.397 1.00 0.00 O ATOM 945 OE2 GLU A 65 3.863 -18.979 -5.490 1.00 0.00 O ATOM 0 H GLU A 65 4.188 -16.116 -4.354 1.00 0.00 H new ATOM 0 HA GLU A 65 1.709 -15.519 -5.427 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.656 -16.906 -2.916 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.939 -16.688 -3.194 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.927 -18.901 -3.958 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.952 -18.043 -5.135 1.00 0.00 H new ATOM 952 N ILE A 66 0.468 -13.805 -4.121 1.00 0.00 N ATOM 953 CA ILE A 66 -0.181 -12.672 -3.473 1.00 0.00 C ATOM 954 C ILE A 66 -0.283 -12.884 -1.967 1.00 0.00 C ATOM 955 O ILE A 66 -0.438 -11.930 -1.203 1.00 0.00 O ATOM 956 CB ILE A 66 -1.592 -12.430 -4.043 1.00 0.00 C ATOM 957 CG1 ILE A 66 -2.104 -11.049 -3.627 1.00 0.00 C ATOM 958 CG2 ILE A 66 -2.546 -13.518 -3.573 1.00 0.00 C ATOM 959 CD1 ILE A 66 -1.270 -9.908 -4.166 1.00 0.00 C ATOM 0 H ILE A 66 -0.039 -14.179 -4.923 1.00 0.00 H new ATOM 0 HA ILE A 66 0.438 -11.797 -3.673 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.539 -12.465 -5.131 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.131 -10.932 -3.972 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.125 -10.991 -2.539 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.539 -13.334 -3.984 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.187 -14.489 -3.914 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.597 -13.512 -2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.691 -8.960 -3.832 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.247 -10.000 -3.800 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.270 -9.941 -5.256 1.00 0.00 H new ATOM 971 N HIS A 67 -0.192 -14.141 -1.544 1.00 0.00 N ATOM 972 CA HIS A 67 -0.271 -14.479 -0.127 1.00 0.00 C ATOM 973 C HIS A 67 1.027 -14.121 0.590 1.00 0.00 C ATOM 974 O HIS A 67 1.015 -13.727 1.756 1.00 0.00 O ATOM 975 CB HIS A 67 -0.570 -15.968 0.047 1.00 0.00 C ATOM 976 CG HIS A 67 0.657 -16.827 0.071 1.00 0.00 C ATOM 977 ND1 HIS A 67 1.734 -16.809 0.890 1.00 0.00 N flip ATOM 978 CD2 HIS A 67 0.877 -17.849 -0.828 1.00 0.00 C flip ATOM 979 CE1 HIS A 67 2.577 -17.812 0.477 1.00 0.00 C flip ATOM 980 NE2 HIS A 67 2.036 -18.425 -0.561 1.00 0.00 N flip ATOM 0 H HIS A 67 -0.064 -14.942 -2.162 1.00 0.00 H new ATOM 0 HA HIS A 67 -1.081 -13.899 0.315 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.123 -16.113 0.975 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.218 -16.297 -0.765 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.207 -18.134 -1.626 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.527 -18.059 0.927 1.00 0.00 H new ATOM 0 HE2 HIS A 67 2.444 -19.209 -1.070 1.00 0.00 H new ATOM 989 N ASP A 68 2.144 -14.262 -0.114 1.00 0.00 N ATOM 990 CA ASP A 68 3.451 -13.953 0.455 1.00 0.00 C ATOM 991 C ASP A 68 3.604 -12.453 0.682 1.00 0.00 C ATOM 992 O ASP A 68 4.294 -12.022 1.606 1.00 0.00 O ATOM 993 CB ASP A 68 4.564 -14.458 -0.465 1.00 0.00 C ATOM 994 CG ASP A 68 5.912 -14.504 0.228 1.00 0.00 C ATOM 995 OD1 ASP A 68 6.167 -13.632 1.085 1.00 0.00 O ATOM 996 OD2 ASP A 68 6.711 -15.410 -0.087 1.00 0.00 O ATOM 0 H ASP A 68 2.171 -14.588 -1.080 1.00 0.00 H new ATOM 0 HA ASP A 68 3.529 -14.458 1.418 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.310 -15.455 -0.825 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.630 -13.811 -1.339 1.00 0.00 H new ATOM 1001 N TRP A 69 2.957 -11.662 -0.166 1.00 0.00 N ATOM 1002 CA TRP A 69 3.022 -10.209 -0.058 1.00 0.00 C ATOM 1003 C TRP A 69 2.493 -9.740 1.292 1.00 0.00 C ATOM 1004 O TRP A 69 1.636 -10.387 1.894 1.00 0.00 O ATOM 1005 CB TRP A 69 2.223 -9.557 -1.188 1.00 0.00 C ATOM 1006 CG TRP A 69 2.844 -9.742 -2.539 1.00 0.00 C ATOM 1007 CD1 TRP A 69 3.291 -10.913 -3.082 1.00 0.00 C ATOM 1008 CD2 TRP A 69 3.089 -8.725 -3.516 1.00 0.00 C ATOM 1009 NE1 TRP A 69 3.799 -10.685 -4.338 1.00 0.00 N ATOM 1010 CE2 TRP A 69 3.686 -9.351 -4.628 1.00 0.00 C ATOM 1011 CE3 TRP A 69 2.861 -7.347 -3.561 1.00 0.00 C ATOM 1012 CZ2 TRP A 69 4.057 -8.645 -5.769 1.00 0.00 C ATOM 1013 CZ3 TRP A 69 3.230 -6.648 -4.694 1.00 0.00 C ATOM 1014 CH2 TRP A 69 3.822 -7.297 -5.786 1.00 0.00 C ATOM 0 H TRP A 69 2.381 -12.002 -0.936 1.00 0.00 H new ATOM 0 HA TRP A 69 4.067 -9.909 -0.142 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.216 -9.974 -1.199 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.124 -8.491 -0.985 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.251 -11.876 -2.596 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.196 -11.394 -4.955 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.405 -6.838 -2.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 4.514 -9.144 -6.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.059 -5.583 -4.739 1.00 0.00 H new ATOM 0 HH2 TRP A 69 4.098 -6.722 -6.658 1.00 0.00 H new ATOM 1025 N VAL A 70 3.008 -8.609 1.764 1.00 0.00 N ATOM 1026 CA VAL A 70 2.586 -8.052 3.044 1.00 0.00 C ATOM 1027 C VAL A 70 1.245 -7.337 2.917 1.00 0.00 C ATOM 1028 O VAL A 70 0.910 -6.809 1.856 1.00 0.00 O ATOM 1029 CB VAL A 70 3.631 -7.065 3.599 1.00 0.00 C ATOM 1030 CG1 VAL A 70 3.698 -5.816 2.733 1.00 0.00 C ATOM 1031 CG2 VAL A 70 3.311 -6.707 5.042 1.00 0.00 C ATOM 0 H VAL A 70 3.718 -8.060 1.279 1.00 0.00 H new ATOM 0 HA VAL A 70 2.485 -8.889 3.735 1.00 0.00 H new ATOM 0 HB VAL A 70 4.609 -7.546 3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.441 -5.130 3.140 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.978 -6.093 1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.723 -5.329 2.721 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.059 -6.009 5.418 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.325 -6.244 5.092 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.319 -7.611 5.651 1.00 0.00 H new ATOM 1041 N ILE A 71 0.483 -7.324 4.005 1.00 0.00 N ATOM 1042 CA ILE A 71 -0.821 -6.672 4.015 1.00 0.00 C ATOM 1043 C ILE A 71 -0.764 -5.341 4.756 1.00 0.00 C ATOM 1044 O ILE A 71 -0.495 -5.299 5.956 1.00 0.00 O ATOM 1045 CB ILE A 71 -1.892 -7.565 4.669 1.00 0.00 C ATOM 1046 CG1 ILE A 71 -1.966 -8.916 3.954 1.00 0.00 C ATOM 1047 CG2 ILE A 71 -3.246 -6.873 4.645 1.00 0.00 C ATOM 1048 CD1 ILE A 71 -2.772 -9.953 4.704 1.00 0.00 C ATOM 0 H ILE A 71 0.745 -7.757 4.890 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.093 -6.495 2.975 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.613 -7.739 5.708 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.404 -8.772 2.966 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.955 -9.294 3.802 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.992 -7.517 5.111 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.184 -5.933 5.194 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.534 -6.672 3.613 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.782 -10.885 4.139 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.322 -10.126 5.682 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.794 -9.596 4.833 1.00 0.00 H new ATOM 1060 N GLU A 72 -1.022 -4.255 4.033 1.00 0.00 N ATOM 1061 CA GLU A 72 -1.001 -2.922 4.623 1.00 0.00 C ATOM 1062 C GLU A 72 -2.386 -2.283 4.574 1.00 0.00 C ATOM 1063 O GLU A 72 -2.714 -1.523 3.663 1.00 0.00 O ATOM 1064 CB GLU A 72 0.009 -2.033 3.894 1.00 0.00 C ATOM 1065 CG GLU A 72 1.435 -2.194 4.396 1.00 0.00 C ATOM 1066 CD GLU A 72 1.855 -3.647 4.504 1.00 0.00 C ATOM 1067 OE1 GLU A 72 1.416 -4.456 3.661 1.00 0.00 O ATOM 1068 OE2 GLU A 72 2.624 -3.974 5.432 1.00 0.00 O ATOM 0 H GLU A 72 -1.248 -4.273 3.038 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.702 -3.019 5.667 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.020 -2.262 2.829 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.291 -0.991 4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.115 -1.672 3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.528 -1.719 5.373 1.00 0.00 H new ATOM 1075 N PRO A 73 -3.218 -2.599 5.577 1.00 0.00 N ATOM 1076 CA PRO A 73 -4.581 -2.067 5.671 1.00 0.00 C ATOM 1077 C PRO A 73 -4.601 -0.577 5.993 1.00 0.00 C ATOM 1078 O PRO A 73 -3.780 -0.088 6.770 1.00 0.00 O ATOM 1079 CB PRO A 73 -5.197 -2.871 6.820 1.00 0.00 C ATOM 1080 CG PRO A 73 -4.035 -3.291 7.653 1.00 0.00 C ATOM 1081 CD PRO A 73 -2.893 -3.499 6.696 1.00 0.00 C ATOM 0 HA PRO A 73 -5.121 -2.161 4.729 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.898 -2.266 7.395 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.750 -3.734 6.448 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.790 -2.529 8.393 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.258 -4.207 8.200 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.936 -3.245 7.151 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.825 -4.537 6.370 1.00 0.00 H new ATOM 1089 N VAL A 74 -5.544 0.142 5.391 1.00 0.00 N ATOM 1090 CA VAL A 74 -5.671 1.577 5.615 1.00 0.00 C ATOM 1091 C VAL A 74 -6.961 1.904 6.360 1.00 0.00 C ATOM 1092 O VAL A 74 -8.056 1.595 5.892 1.00 0.00 O ATOM 1093 CB VAL A 74 -5.646 2.356 4.287 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -5.724 3.853 4.546 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -4.398 2.009 3.489 1.00 0.00 C ATOM 0 H VAL A 74 -6.231 -0.246 4.745 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.818 1.880 6.221 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.517 2.067 3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.705 4.388 3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.649 4.083 5.074 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.873 4.162 5.153 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.397 2.569 2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.512 2.269 4.068 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.390 0.941 3.273 1.00 0.00 H new ATOM 1105 N VAL A 75 -6.823 2.533 7.523 1.00 0.00 N ATOM 1106 CA VAL A 75 -7.977 2.904 8.333 1.00 0.00 C ATOM 1107 C VAL A 75 -8.693 4.116 7.746 1.00 0.00 C ATOM 1108 O VAL A 75 -8.177 4.781 6.849 1.00 0.00 O ATOM 1109 CB VAL A 75 -7.567 3.217 9.784 1.00 0.00 C ATOM 1110 CG1 VAL A 75 -6.891 2.012 10.419 1.00 0.00 C ATOM 1111 CG2 VAL A 75 -6.657 4.435 9.830 1.00 0.00 C ATOM 0 H VAL A 75 -5.923 2.796 7.925 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.653 2.049 8.331 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.467 3.443 10.357 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.608 2.252 11.444 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.580 1.167 10.421 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.000 1.752 9.848 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.377 4.641 10.863 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.759 4.241 9.243 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.181 5.297 9.417 1.00 0.00 H new ATOM 1121 N GLY A 76 -9.886 4.398 8.261 1.00 0.00 N ATOM 1122 CA GLY A 76 -10.654 5.530 7.776 1.00 0.00 C ATOM 1123 C GLY A 76 -10.749 5.561 6.263 1.00 0.00 C ATOM 1124 O GLY A 76 -10.393 4.594 5.593 1.00 0.00 O ATOM 0 H GLY A 76 -10.334 3.863 9.005 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.658 5.492 8.199 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.195 6.454 8.127 1.00 0.00 H new ATOM 1128 N ASN A 77 -11.234 6.676 5.725 1.00 0.00 N ATOM 1129 CA ASN A 77 -11.378 6.828 4.282 1.00 0.00 C ATOM 1130 C ASN A 77 -10.132 7.466 3.675 1.00 0.00 C ATOM 1131 O ASN A 77 -10.226 8.335 2.809 1.00 0.00 O ATOM 1132 CB ASN A 77 -12.608 7.677 3.958 1.00 0.00 C ATOM 1133 CG ASN A 77 -12.794 7.880 2.467 1.00 0.00 C ATOM 1134 OD1 ASN A 77 -12.544 8.965 1.941 1.00 0.00 O ATOM 1135 ND2 ASN A 77 -13.235 6.834 1.777 1.00 0.00 N ATOM 0 H ASN A 77 -11.534 7.487 6.267 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.505 5.836 3.848 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -13.496 7.197 4.370 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -12.515 8.648 4.445 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.379 6.911 0.770 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -13.429 5.954 2.254 1.00 0.00 H new ATOM 1142 N ARG A 78 -8.965 7.027 4.136 1.00 0.00 N ATOM 1143 CA ARG A 78 -7.700 7.555 3.640 1.00 0.00 C ATOM 1144 C ARG A 78 -7.345 6.938 2.290 1.00 0.00 C ATOM 1145 O ARG A 78 -7.531 5.739 2.076 1.00 0.00 O ATOM 1146 CB ARG A 78 -6.580 7.285 4.646 1.00 0.00 C ATOM 1147 CG ARG A 78 -5.438 8.285 4.569 1.00 0.00 C ATOM 1148 CD ARG A 78 -4.756 8.456 5.917 1.00 0.00 C ATOM 1149 NE ARG A 78 -3.742 9.508 5.888 1.00 0.00 N ATOM 1150 CZ ARG A 78 -2.977 9.820 6.928 1.00 0.00 C ATOM 1151 NH1 ARG A 78 -3.110 9.165 8.073 1.00 0.00 N ATOM 1152 NH2 ARG A 78 -2.077 10.789 6.824 1.00 0.00 N ATOM 0 H ARG A 78 -8.870 6.307 4.852 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.811 8.632 3.511 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.997 7.299 5.653 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.186 6.283 4.478 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.709 7.950 3.831 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.818 9.248 4.228 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.503 8.694 6.674 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.293 7.514 6.211 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.615 10.031 5.022 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.801 8.419 8.157 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.521 9.407 8.870 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.972 11.295 5.945 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.490 11.028 7.623 1.00 0.00 H new ATOM 1166 N LEU A 79 -6.835 7.763 1.383 1.00 0.00 N ATOM 1167 CA LEU A 79 -6.455 7.299 0.054 1.00 0.00 C ATOM 1168 C LEU A 79 -4.939 7.310 -0.114 1.00 0.00 C ATOM 1169 O LEU A 79 -4.417 6.966 -1.175 1.00 0.00 O ATOM 1170 CB LEU A 79 -7.103 8.176 -1.019 1.00 0.00 C ATOM 1171 CG LEU A 79 -8.631 8.249 -0.993 1.00 0.00 C ATOM 1172 CD1 LEU A 79 -9.130 9.324 -1.946 1.00 0.00 C ATOM 1173 CD2 LEU A 79 -9.235 6.898 -1.347 1.00 0.00 C ATOM 0 H LEU A 79 -6.675 8.757 1.544 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.808 6.274 -0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.709 9.187 -0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.793 7.808 -1.997 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.946 8.513 0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.219 9.361 -1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.725 10.291 -1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.804 9.091 -2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.322 6.968 -1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.912 6.605 -2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.904 6.151 -0.625 1.00 0.00 H new ATOM 1185 N THR A 80 -4.234 7.704 0.943 1.00 0.00 N ATOM 1186 CA THR A 80 -2.778 7.758 0.914 1.00 0.00 C ATOM 1187 C THR A 80 -2.178 7.033 2.112 1.00 0.00 C ATOM 1188 O THR A 80 -2.685 7.133 3.230 1.00 0.00 O ATOM 1189 CB THR A 80 -2.270 9.212 0.901 1.00 0.00 C ATOM 1190 OG1 THR A 80 -0.839 9.232 0.957 1.00 0.00 O ATOM 1191 CG2 THR A 80 -2.840 9.995 2.074 1.00 0.00 C ATOM 0 H THR A 80 -4.649 7.990 1.830 1.00 0.00 H new ATOM 0 HA THR A 80 -2.461 7.262 -0.004 1.00 0.00 H new ATOM 0 HB THR A 80 -2.603 9.682 -0.025 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.488 9.703 0.173 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.467 11.019 2.044 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.928 10.003 2.012 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.534 9.525 3.008 1.00 0.00 H new ATOM 1199 N HIS A 81 -1.093 6.302 1.874 1.00 0.00 N ATOM 1200 CA HIS A 81 -0.422 5.560 2.935 1.00 0.00 C ATOM 1201 C HIS A 81 1.061 5.914 2.991 1.00 0.00 C ATOM 1202 O HIS A 81 1.650 6.320 1.989 1.00 0.00 O ATOM 1203 CB HIS A 81 -0.592 4.056 2.721 1.00 0.00 C ATOM 1204 CG HIS A 81 -0.253 3.237 3.928 1.00 0.00 C ATOM 1205 ND1 HIS A 81 -0.575 3.622 5.213 1.00 0.00 N ATOM 1206 CD2 HIS A 81 0.380 2.046 4.041 1.00 0.00 C ATOM 1207 CE1 HIS A 81 -0.152 2.705 6.064 1.00 0.00 C ATOM 1208 NE2 HIS A 81 0.431 1.737 5.378 1.00 0.00 N ATOM 0 H HIS A 81 -0.660 6.208 0.955 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.880 5.838 3.884 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.623 3.853 2.432 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.040 3.742 1.890 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.772 1.450 3.230 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.263 2.740 7.138 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.850 0.897 5.777 1.00 0.00 H new ATOM 1217 N GLN A 82 1.658 5.757 4.168 1.00 0.00 N ATOM 1218 CA GLN A 82 3.072 6.062 4.353 1.00 0.00 C ATOM 1219 C GLN A 82 3.825 4.847 4.887 1.00 0.00 C ATOM 1220 O GLN A 82 3.651 4.456 6.042 1.00 0.00 O ATOM 1221 CB GLN A 82 3.240 7.242 5.311 1.00 0.00 C ATOM 1222 CG GLN A 82 3.203 8.596 4.620 1.00 0.00 C ATOM 1223 CD GLN A 82 2.813 9.720 5.559 1.00 0.00 C ATOM 1224 OE1 GLN A 82 2.107 9.504 6.545 1.00 0.00 O ATOM 1225 NE2 GLN A 82 3.270 10.930 5.257 1.00 0.00 N ATOM 0 H GLN A 82 1.185 5.421 5.007 1.00 0.00 H new ATOM 0 HA GLN A 82 3.490 6.329 3.383 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.451 7.205 6.062 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.188 7.139 5.839 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.183 8.808 4.193 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.495 8.558 3.792 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.852 11.064 4.430 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.039 11.726 5.852 1.00 0.00 H new ATOM 1234 N ILE A 83 4.661 4.256 4.041 1.00 0.00 N ATOM 1235 CA ILE A 83 5.440 3.087 4.429 1.00 0.00 C ATOM 1236 C ILE A 83 6.911 3.445 4.618 1.00 0.00 C ATOM 1237 O ILE A 83 7.449 4.294 3.908 1.00 0.00 O ATOM 1238 CB ILE A 83 5.328 1.963 3.382 1.00 0.00 C ATOM 1239 CG1 ILE A 83 3.877 1.489 3.265 1.00 0.00 C ATOM 1240 CG2 ILE A 83 6.241 0.803 3.750 1.00 0.00 C ATOM 1241 CD1 ILE A 83 3.613 0.652 2.033 1.00 0.00 C ATOM 0 H ILE A 83 4.816 4.567 3.082 1.00 0.00 H new ATOM 0 HA ILE A 83 5.029 2.734 5.375 1.00 0.00 H new ATOM 0 HB ILE A 83 5.643 2.355 2.415 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.620 0.908 4.151 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.219 2.358 3.252 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.150 0.017 3.001 1.00 0.00 H new ATOM 0 HG22 ILE A 83 7.273 1.151 3.788 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.954 0.409 4.725 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.566 0.351 2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.838 1.237 1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.245 -0.236 2.054 1.00 0.00 H new ATOM 1253 N GLN A 84 7.554 2.790 5.579 1.00 0.00 N ATOM 1254 CA GLN A 84 8.963 3.038 5.860 1.00 0.00 C ATOM 1255 C GLN A 84 9.706 1.731 6.115 1.00 0.00 C ATOM 1256 O GLN A 84 9.135 0.648 5.993 1.00 0.00 O ATOM 1257 CB GLN A 84 9.108 3.964 7.069 1.00 0.00 C ATOM 1258 CG GLN A 84 8.085 3.702 8.162 1.00 0.00 C ATOM 1259 CD GLN A 84 8.579 2.710 9.197 1.00 0.00 C ATOM 1260 OE1 GLN A 84 8.387 1.502 9.057 1.00 0.00 O ATOM 1261 NE2 GLN A 84 9.220 3.217 10.244 1.00 0.00 N ATOM 0 H GLN A 84 7.122 2.084 6.176 1.00 0.00 H new ATOM 0 HA GLN A 84 9.402 3.520 4.986 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.109 3.851 7.485 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.016 4.998 6.737 1.00 0.00 H new ATOM 0 HG2 GLN A 84 7.836 4.642 8.655 1.00 0.00 H new ATOM 0 HG3 GLN A 84 7.166 3.325 7.712 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.357 4.225 10.319 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.576 2.598 10.973 1.00 0.00 H new ATOM 1270 N GLU A 85 10.983 1.841 6.467 1.00 0.00 N ATOM 1271 CA GLU A 85 11.804 0.666 6.738 1.00 0.00 C ATOM 1272 C GLU A 85 11.953 -0.193 5.485 1.00 0.00 C ATOM 1273 O GLU A 85 11.934 -1.423 5.557 1.00 0.00 O ATOM 1274 CB GLU A 85 11.191 -0.163 7.868 1.00 0.00 C ATOM 1275 CG GLU A 85 11.681 0.237 9.250 1.00 0.00 C ATOM 1276 CD GLU A 85 11.214 -0.717 10.333 1.00 0.00 C ATOM 1277 OE1 GLU A 85 10.105 -1.273 10.196 1.00 0.00 O ATOM 1278 OE2 GLU A 85 11.959 -0.906 11.317 1.00 0.00 O ATOM 0 H GLU A 85 11.471 2.730 6.571 1.00 0.00 H new ATOM 0 HA GLU A 85 12.793 1.008 7.044 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.106 -0.063 7.833 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.420 -1.215 7.701 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.770 0.274 9.249 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.328 1.242 9.480 1.00 0.00 H new ATOM 1285 N LEU A 86 12.101 0.462 4.340 1.00 0.00 N ATOM 1286 CA LEU A 86 12.252 -0.241 3.070 1.00 0.00 C ATOM 1287 C LEU A 86 13.703 -0.206 2.599 1.00 0.00 C ATOM 1288 O LEU A 86 14.436 0.743 2.879 1.00 0.00 O ATOM 1289 CB LEU A 86 11.344 0.382 2.008 1.00 0.00 C ATOM 1290 CG LEU A 86 9.840 0.266 2.260 1.00 0.00 C ATOM 1291 CD1 LEU A 86 9.058 0.941 1.144 1.00 0.00 C ATOM 1292 CD2 LEU A 86 9.432 -1.194 2.392 1.00 0.00 C ATOM 0 H LEU A 86 12.120 1.479 4.264 1.00 0.00 H new ATOM 0 HA LEU A 86 11.962 -1.281 3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.597 1.438 1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.568 -0.083 1.048 1.00 0.00 H new ATOM 0 HG LEU A 86 9.608 0.773 3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.990 0.848 1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.328 1.996 1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.295 0.463 0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.359 -1.257 2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.678 -1.725 1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.966 -1.647 3.227 1.00 0.00 H new ATOM 1304 N THR A 87 14.110 -1.246 1.878 1.00 0.00 N ATOM 1305 CA THR A 87 15.472 -1.335 1.366 1.00 0.00 C ATOM 1306 C THR A 87 15.670 -0.414 0.168 1.00 0.00 C ATOM 1307 O THR A 87 14.813 -0.333 -0.714 1.00 0.00 O ATOM 1308 CB THR A 87 15.825 -2.777 0.955 1.00 0.00 C ATOM 1309 OG1 THR A 87 15.483 -3.684 2.009 1.00 0.00 O ATOM 1310 CG2 THR A 87 17.307 -2.901 0.634 1.00 0.00 C ATOM 0 H THR A 87 13.516 -2.039 1.635 1.00 0.00 H new ATOM 0 HA THR A 87 16.134 -1.023 2.174 1.00 0.00 H new ATOM 0 HB THR A 87 15.254 -3.027 0.061 1.00 0.00 H new ATOM 0 HG1 THR A 87 15.709 -4.599 1.740 1.00 0.00 H new ATOM 0 HG21 THR A 87 17.532 -3.928 0.346 1.00 0.00 H new ATOM 0 HG22 THR A 87 17.559 -2.231 -0.188 1.00 0.00 H new ATOM 0 HG23 THR A 87 17.893 -2.633 1.513 1.00 0.00 H new ATOM 1318 N LEU A 88 16.804 0.278 0.140 1.00 0.00 N ATOM 1319 CA LEU A 88 17.114 1.193 -0.952 1.00 0.00 C ATOM 1320 C LEU A 88 17.697 0.441 -2.145 1.00 0.00 C ATOM 1321 O LEU A 88 17.847 -0.780 -2.108 1.00 0.00 O ATOM 1322 CB LEU A 88 18.099 2.265 -0.481 1.00 0.00 C ATOM 1323 CG LEU A 88 17.743 2.975 0.826 1.00 0.00 C ATOM 1324 CD1 LEU A 88 18.942 3.742 1.360 1.00 0.00 C ATOM 1325 CD2 LEU A 88 16.559 3.909 0.620 1.00 0.00 C ATOM 0 H LEU A 88 17.523 0.223 0.861 1.00 0.00 H new ATOM 0 HA LEU A 88 16.186 1.672 -1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 88 19.080 1.803 -0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 88 18.191 3.016 -1.266 1.00 0.00 H new ATOM 0 HG LEU A 88 17.462 2.221 1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 88 18.670 4.241 2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 88 19.763 3.050 1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 88 19.254 4.486 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 88 16.320 4.406 1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.812 4.657 -0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 88 15.696 3.334 0.283 1.00 0.00 H new ATOM 1337 N ASP A 89 18.025 1.178 -3.200 1.00 0.00 N ATOM 1338 CA ASP A 89 18.595 0.582 -4.402 1.00 0.00 C ATOM 1339 C ASP A 89 17.975 -0.785 -4.676 1.00 0.00 C ATOM 1340 O ASP A 89 18.675 -1.740 -5.014 1.00 0.00 O ATOM 1341 CB ASP A 89 20.112 0.449 -4.262 1.00 0.00 C ATOM 1342 CG ASP A 89 20.740 -0.284 -5.432 1.00 0.00 C ATOM 1343 OD1 ASP A 89 20.633 0.216 -6.571 1.00 0.00 O ATOM 1344 OD2 ASP A 89 21.339 -1.356 -5.207 1.00 0.00 O ATOM 0 H ASP A 89 17.906 2.190 -3.247 1.00 0.00 H new ATOM 0 HA ASP A 89 18.373 1.238 -5.244 1.00 0.00 H new ATOM 0 HB2 ASP A 89 20.555 1.442 -4.179 1.00 0.00 H new ATOM 0 HB3 ASP A 89 20.344 -0.081 -3.338 1.00 0.00 H new ATOM 1349 N THR A 90 16.657 -0.872 -4.527 1.00 0.00 N ATOM 1350 CA THR A 90 15.943 -2.122 -4.756 1.00 0.00 C ATOM 1351 C THR A 90 14.541 -1.863 -5.297 1.00 0.00 C ATOM 1352 O THR A 90 13.731 -1.171 -4.681 1.00 0.00 O ATOM 1353 CB THR A 90 15.837 -2.954 -3.464 1.00 0.00 C ATOM 1354 OG1 THR A 90 17.146 -3.238 -2.956 1.00 0.00 O ATOM 1355 CG2 THR A 90 15.092 -4.255 -3.718 1.00 0.00 C ATOM 0 H THR A 90 16.062 -0.091 -4.249 1.00 0.00 H new ATOM 0 HA THR A 90 16.517 -2.683 -5.494 1.00 0.00 H new ATOM 0 HB THR A 90 15.280 -2.374 -2.728 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.448 -2.493 -2.396 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.030 -4.826 -2.791 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.087 -4.034 -4.077 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.625 -4.839 -4.468 1.00 0.00 H new ATOM 1363 N PRO A 91 14.246 -2.432 -6.475 1.00 0.00 N ATOM 1364 CA PRO A 91 12.941 -2.278 -7.124 1.00 0.00 C ATOM 1365 C PRO A 91 11.833 -3.015 -6.379 1.00 0.00 C ATOM 1366 O PRO A 91 11.800 -4.245 -6.355 1.00 0.00 O ATOM 1367 CB PRO A 91 13.157 -2.894 -8.508 1.00 0.00 C ATOM 1368 CG PRO A 91 14.273 -3.864 -8.320 1.00 0.00 C ATOM 1369 CD PRO A 91 15.164 -3.270 -7.265 1.00 0.00 C ATOM 0 HA PRO A 91 12.620 -1.237 -7.152 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.255 -3.392 -8.865 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.414 -2.133 -9.245 1.00 0.00 H new ATOM 0 HG2 PRO A 91 13.895 -4.838 -8.009 1.00 0.00 H new ATOM 0 HG3 PRO A 91 14.819 -4.016 -9.251 1.00 0.00 H new ATOM 0 HD2 PRO A 91 15.631 -4.041 -6.653 1.00 0.00 H new ATOM 0 HD3 PRO A 91 15.969 -2.681 -7.704 1.00 0.00 H new ATOM 1377 N TYR A 92 10.927 -2.255 -5.774 1.00 0.00 N ATOM 1378 CA TYR A 92 9.818 -2.837 -5.027 1.00 0.00 C ATOM 1379 C TYR A 92 8.511 -2.708 -5.803 1.00 0.00 C ATOM 1380 O TYR A 92 8.307 -1.744 -6.541 1.00 0.00 O ATOM 1381 CB TYR A 92 9.683 -2.159 -3.662 1.00 0.00 C ATOM 1382 CG TYR A 92 10.489 -2.827 -2.572 1.00 0.00 C ATOM 1383 CD1 TYR A 92 11.846 -2.569 -2.426 1.00 0.00 C ATOM 1384 CD2 TYR A 92 9.893 -3.717 -1.686 1.00 0.00 C ATOM 1385 CE1 TYR A 92 12.587 -3.178 -1.431 1.00 0.00 C ATOM 1386 CE2 TYR A 92 10.625 -4.329 -0.687 1.00 0.00 C ATOM 1387 CZ TYR A 92 11.972 -4.057 -0.564 1.00 0.00 C ATOM 1388 OH TYR A 92 12.706 -4.665 0.429 1.00 0.00 O ATOM 0 H TYR A 92 10.939 -1.235 -5.786 1.00 0.00 H new ATOM 0 HA TYR A 92 10.029 -3.896 -4.880 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.998 -1.119 -3.750 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.632 -2.151 -3.372 1.00 0.00 H new ATOM 0 HD1 TYR A 92 12.331 -1.880 -3.102 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.839 -3.934 -1.780 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.642 -2.967 -1.333 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.146 -5.017 -0.006 1.00 0.00 H new ATOM 0 HH TYR A 92 12.123 -5.253 0.953 1.00 0.00 H new ATOM 1398 N TYR A 93 7.628 -3.686 -5.629 1.00 0.00 N ATOM 1399 CA TYR A 93 6.341 -3.684 -6.313 1.00 0.00 C ATOM 1400 C TYR A 93 5.198 -3.486 -5.323 1.00 0.00 C ATOM 1401 O TYR A 93 5.077 -4.219 -4.341 1.00 0.00 O ATOM 1402 CB TYR A 93 6.145 -4.993 -7.080 1.00 0.00 C ATOM 1403 CG TYR A 93 7.328 -5.372 -7.943 1.00 0.00 C ATOM 1404 CD1 TYR A 93 8.363 -6.147 -7.436 1.00 0.00 C ATOM 1405 CD2 TYR A 93 7.409 -4.955 -9.266 1.00 0.00 C ATOM 1406 CE1 TYR A 93 9.445 -6.495 -8.221 1.00 0.00 C ATOM 1407 CE2 TYR A 93 8.487 -5.299 -10.059 1.00 0.00 C ATOM 1408 CZ TYR A 93 9.502 -6.069 -9.531 1.00 0.00 C ATOM 1409 OH TYR A 93 10.578 -6.414 -10.317 1.00 0.00 O ATOM 0 H TYR A 93 7.781 -4.490 -5.020 1.00 0.00 H new ATOM 0 HA TYR A 93 6.335 -2.853 -7.018 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.953 -5.796 -6.368 1.00 0.00 H new ATOM 0 HB3 TYR A 93 5.259 -4.906 -7.710 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.321 -6.483 -6.411 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.616 -4.352 -9.682 1.00 0.00 H new ATOM 0 HE1 TYR A 93 10.242 -7.097 -7.811 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.534 -4.967 -11.086 1.00 0.00 H new ATOM 0 HH TYR A 93 10.463 -6.035 -11.213 1.00 0.00 H new ATOM 1419 N PHE A 94 4.360 -2.489 -5.589 1.00 0.00 N ATOM 1420 CA PHE A 94 3.225 -2.192 -4.722 1.00 0.00 C ATOM 1421 C PHE A 94 1.906 -2.465 -5.439 1.00 0.00 C ATOM 1422 O PHE A 94 1.827 -2.394 -6.666 1.00 0.00 O ATOM 1423 CB PHE A 94 3.276 -0.734 -4.261 1.00 0.00 C ATOM 1424 CG PHE A 94 4.613 -0.325 -3.713 1.00 0.00 C ATOM 1425 CD1 PHE A 94 5.659 -0.010 -4.565 1.00 0.00 C ATOM 1426 CD2 PHE A 94 4.824 -0.254 -2.345 1.00 0.00 C ATOM 1427 CE1 PHE A 94 6.891 0.367 -4.065 1.00 0.00 C ATOM 1428 CE2 PHE A 94 6.053 0.123 -1.839 1.00 0.00 C ATOM 1429 CZ PHE A 94 7.088 0.433 -2.699 1.00 0.00 C ATOM 0 H PHE A 94 4.445 -1.873 -6.398 1.00 0.00 H new ATOM 0 HA PHE A 94 3.286 -2.844 -3.850 1.00 0.00 H new ATOM 0 HB2 PHE A 94 3.023 -0.087 -5.101 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.515 -0.576 -3.497 1.00 0.00 H new ATOM 0 HD1 PHE A 94 5.510 -0.060 -5.633 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.019 -0.496 -1.667 1.00 0.00 H new ATOM 0 HE1 PHE A 94 7.698 0.609 -4.741 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.204 0.175 -0.771 1.00 0.00 H new ATOM 0 HZ PHE A 94 8.050 0.726 -2.305 1.00 0.00 H new ATOM 1439 N LYS A 95 0.873 -2.779 -4.665 1.00 0.00 N ATOM 1440 CA LYS A 95 -0.444 -3.062 -5.224 1.00 0.00 C ATOM 1441 C LYS A 95 -1.544 -2.452 -4.362 1.00 0.00 C ATOM 1442 O LYS A 95 -1.478 -2.495 -3.133 1.00 0.00 O ATOM 1443 CB LYS A 95 -0.655 -4.573 -5.344 1.00 0.00 C ATOM 1444 CG LYS A 95 0.205 -5.225 -6.414 1.00 0.00 C ATOM 1445 CD LYS A 95 -0.128 -6.698 -6.576 1.00 0.00 C ATOM 1446 CE LYS A 95 0.621 -7.313 -7.748 1.00 0.00 C ATOM 1447 NZ LYS A 95 0.245 -8.739 -7.960 1.00 0.00 N ATOM 0 H LYS A 95 0.922 -2.844 -3.648 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.494 -2.614 -6.216 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.439 -5.039 -4.383 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.704 -4.768 -5.564 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.057 -4.711 -7.364 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.258 -5.116 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.125 -7.232 -5.660 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.201 -6.815 -6.727 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.410 -6.743 -8.653 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.694 -7.243 -7.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.777 -9.122 -8.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.470 -9.288 -7.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.774 -8.804 -8.155 1.00 0.00 H new ATOM 1461 N ILE A 96 -2.553 -1.885 -5.013 1.00 0.00 N ATOM 1462 CA ILE A 96 -3.668 -1.268 -4.306 1.00 0.00 C ATOM 1463 C ILE A 96 -4.960 -2.047 -4.529 1.00 0.00 C ATOM 1464 O ILE A 96 -5.193 -2.582 -5.612 1.00 0.00 O ATOM 1465 CB ILE A 96 -3.879 0.192 -4.750 1.00 0.00 C ATOM 1466 CG1 ILE A 96 -2.600 1.003 -4.537 1.00 0.00 C ATOM 1467 CG2 ILE A 96 -5.041 0.814 -3.990 1.00 0.00 C ATOM 1468 CD1 ILE A 96 -2.459 2.170 -5.488 1.00 0.00 C ATOM 0 H ILE A 96 -2.622 -1.840 -6.030 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.415 -1.284 -3.246 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.119 0.202 -5.813 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.582 1.375 -3.513 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.739 0.345 -4.652 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.178 1.846 -4.315 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.951 0.247 -4.189 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.828 0.795 -2.921 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.529 2.699 -5.279 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.445 1.803 -6.514 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.301 2.850 -5.357 1.00 0.00 H new ATOM 1480 N GLN A 97 -5.795 -2.105 -3.497 1.00 0.00 N ATOM 1481 CA GLN A 97 -7.064 -2.819 -3.581 1.00 0.00 C ATOM 1482 C GLN A 97 -8.109 -2.181 -2.671 1.00 0.00 C ATOM 1483 O GLN A 97 -7.797 -1.740 -1.565 1.00 0.00 O ATOM 1484 CB GLN A 97 -6.873 -4.289 -3.205 1.00 0.00 C ATOM 1485 CG GLN A 97 -8.120 -5.135 -3.402 1.00 0.00 C ATOM 1486 CD GLN A 97 -8.060 -6.449 -2.649 1.00 0.00 C ATOM 1487 OE1 GLN A 97 -7.786 -6.478 -1.449 1.00 0.00 O ATOM 1488 NE2 GLN A 97 -8.316 -7.547 -3.352 1.00 0.00 N ATOM 0 H GLN A 97 -5.616 -1.667 -2.593 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.418 -2.758 -4.610 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.063 -4.706 -3.803 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.563 -4.351 -2.162 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -8.993 -4.571 -3.072 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.254 -5.336 -4.465 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.539 -7.476 -4.345 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.290 -8.460 -2.899 1.00 0.00 H new ATOM 1497 N ALA A 98 -9.350 -2.134 -3.144 1.00 0.00 N ATOM 1498 CA ALA A 98 -10.440 -1.552 -2.373 1.00 0.00 C ATOM 1499 C ALA A 98 -11.307 -2.636 -1.741 1.00 0.00 C ATOM 1500 O ALA A 98 -11.321 -3.778 -2.201 1.00 0.00 O ATOM 1501 CB ALA A 98 -11.286 -0.646 -3.255 1.00 0.00 C ATOM 0 H ALA A 98 -9.625 -2.493 -4.058 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.005 -0.957 -1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.097 -0.218 -2.665 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.665 0.156 -3.654 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.703 -1.226 -4.078 1.00 0.00 H new ATOM 1507 N ARG A 99 -12.027 -2.272 -0.685 1.00 0.00 N ATOM 1508 CA ARG A 99 -12.894 -3.215 0.011 1.00 0.00 C ATOM 1509 C ARG A 99 -14.023 -2.484 0.732 1.00 0.00 C ATOM 1510 O ARG A 99 -13.837 -1.378 1.236 1.00 0.00 O ATOM 1511 CB ARG A 99 -12.085 -4.041 1.012 1.00 0.00 C ATOM 1512 CG ARG A 99 -12.887 -4.485 2.224 1.00 0.00 C ATOM 1513 CD ARG A 99 -12.200 -5.626 2.959 1.00 0.00 C ATOM 1514 NE ARG A 99 -12.772 -5.846 4.285 1.00 0.00 N ATOM 1515 CZ ARG A 99 -12.211 -6.617 5.209 1.00 0.00 C ATOM 1516 NH1 ARG A 99 -11.068 -7.239 4.952 1.00 0.00 N ATOM 1517 NH2 ARG A 99 -12.792 -6.768 6.392 1.00 0.00 N ATOM 0 H ARG A 99 -12.027 -1.330 -0.293 1.00 0.00 H new ATOM 0 HA ARG A 99 -13.332 -3.883 -0.730 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -11.688 -4.922 0.507 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.230 -3.454 1.348 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -13.021 -3.642 2.902 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -13.881 -4.801 1.908 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.286 -6.540 2.371 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.136 -5.407 3.055 1.00 0.00 H new ATOM 0 HE ARG A 99 -13.651 -5.382 4.514 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.619 -7.125 4.043 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.638 -7.831 5.663 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.671 -6.291 6.593 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.360 -7.361 7.101 1.00 0.00 H new ATOM 1531 N ASN A 100 -15.193 -3.112 0.776 1.00 0.00 N ATOM 1532 CA ASN A 100 -16.353 -2.522 1.435 1.00 0.00 C ATOM 1533 C ASN A 100 -16.962 -3.495 2.440 1.00 0.00 C ATOM 1534 O ASN A 100 -16.455 -4.600 2.635 1.00 0.00 O ATOM 1535 CB ASN A 100 -17.404 -2.118 0.398 1.00 0.00 C ATOM 1536 CG ASN A 100 -17.681 -3.222 -0.604 1.00 0.00 C ATOM 1537 OD1 ASN A 100 -17.031 -4.268 -0.588 1.00 0.00 O ATOM 1538 ND2 ASN A 100 -18.649 -2.993 -1.484 1.00 0.00 N ATOM 0 H ASN A 100 -15.363 -4.029 0.363 1.00 0.00 H new ATOM 0 HA ASN A 100 -16.021 -1.633 1.972 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -18.330 -1.853 0.908 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -17.065 -1.227 -0.131 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -18.880 -3.699 -2.184 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -19.162 -2.112 -1.460 1.00 0.00 H new ATOM 1545 N SER A 101 -18.052 -3.076 3.075 1.00 0.00 N ATOM 1546 CA SER A 101 -18.728 -3.909 4.063 1.00 0.00 C ATOM 1547 C SER A 101 -18.844 -5.349 3.572 1.00 0.00 C ATOM 1548 O SER A 101 -18.987 -6.279 4.365 1.00 0.00 O ATOM 1549 CB SER A 101 -20.119 -3.349 4.367 1.00 0.00 C ATOM 1550 OG SER A 101 -20.841 -3.101 3.173 1.00 0.00 O ATOM 0 H SER A 101 -18.486 -2.165 2.923 1.00 0.00 H new ATOM 0 HA SER A 101 -18.133 -3.901 4.976 1.00 0.00 H new ATOM 0 HB2 SER A 101 -20.670 -4.054 4.989 1.00 0.00 H new ATOM 0 HB3 SER A 101 -20.026 -2.425 4.938 1.00 0.00 H new ATOM 0 HG SER A 101 -21.727 -2.745 3.394 1.00 0.00 H new ATOM 1556 N LYS A 102 -18.781 -5.525 2.256 1.00 0.00 N ATOM 1557 CA LYS A 102 -18.878 -6.851 1.656 1.00 0.00 C ATOM 1558 C LYS A 102 -17.521 -7.548 1.657 1.00 0.00 C ATOM 1559 O LYS A 102 -17.278 -8.453 2.454 1.00 0.00 O ATOM 1560 CB LYS A 102 -19.409 -6.747 0.225 1.00 0.00 C ATOM 1561 CG LYS A 102 -20.921 -6.624 0.145 1.00 0.00 C ATOM 1562 CD LYS A 102 -21.605 -7.946 0.447 1.00 0.00 C ATOM 1563 CE LYS A 102 -21.145 -9.042 -0.501 1.00 0.00 C ATOM 1564 NZ LYS A 102 -22.188 -10.087 -0.689 1.00 0.00 N ATOM 0 H LYS A 102 -18.663 -4.766 1.585 1.00 0.00 H new ATOM 0 HA LYS A 102 -19.572 -7.444 2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -18.956 -5.882 -0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -19.094 -7.627 -0.335 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -21.263 -5.867 0.851 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -21.207 -6.284 -0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -21.393 -8.240 1.475 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -22.685 -7.824 0.367 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -20.892 -8.604 -1.466 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -20.237 -9.502 -0.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -21.836 -10.816 -1.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -22.412 -10.523 0.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -23.046 -9.653 -1.085 1.00 0.00 H new ATOM 1578 N GLY A 103 -16.640 -7.120 0.758 1.00 0.00 N ATOM 1579 CA GLY A 103 -15.318 -7.713 0.673 1.00 0.00 C ATOM 1580 C GLY A 103 -14.356 -6.873 -0.143 1.00 0.00 C ATOM 1581 O GLY A 103 -14.533 -5.662 -0.270 1.00 0.00 O ATOM 0 H GLY A 103 -16.818 -6.373 0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -14.917 -7.845 1.678 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -15.396 -8.705 0.228 1.00 0.00 H new ATOM 1585 N MET A 104 -13.334 -7.517 -0.697 1.00 0.00 N ATOM 1586 CA MET A 104 -12.340 -6.820 -1.505 1.00 0.00 C ATOM 1587 C MET A 104 -12.703 -6.882 -2.986 1.00 0.00 C ATOM 1588 O MET A 104 -13.686 -7.514 -3.368 1.00 0.00 O ATOM 1589 CB MET A 104 -10.954 -7.427 -1.282 1.00 0.00 C ATOM 1590 CG MET A 104 -10.465 -7.316 0.153 1.00 0.00 C ATOM 1591 SD MET A 104 -8.981 -8.292 0.460 1.00 0.00 S ATOM 1592 CE MET A 104 -9.677 -9.713 1.298 1.00 0.00 C ATOM 0 H MET A 104 -13.172 -8.520 -0.601 1.00 0.00 H new ATOM 0 HA MET A 104 -12.325 -5.775 -1.196 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.976 -8.478 -1.569 1.00 0.00 H new ATOM 0 HB3 MET A 104 -10.240 -6.932 -1.940 1.00 0.00 H new ATOM 0 HG2 MET A 104 -10.261 -6.270 0.383 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.256 -7.643 0.828 1.00 0.00 H new ATOM 0 HE1 MET A 104 -8.880 -10.411 1.554 1.00 0.00 H new ATOM 0 HE2 MET A 104 -10.181 -9.388 2.208 1.00 0.00 H new ATOM 0 HE3 MET A 104 -10.395 -10.206 0.643 1.00 0.00 H new ATOM 1602 N GLY A 105 -11.901 -6.220 -3.815 1.00 0.00 N ATOM 1603 CA GLY A 105 -12.155 -6.213 -5.244 1.00 0.00 C ATOM 1604 C GLY A 105 -10.963 -6.694 -6.047 1.00 0.00 C ATOM 1605 O GLY A 105 -10.111 -7.432 -5.553 1.00 0.00 O ATOM 0 H GLY A 105 -11.081 -5.689 -3.523 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -13.015 -6.847 -5.460 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -12.417 -5.203 -5.558 1.00 0.00 H new ATOM 1609 N PRO A 106 -10.892 -6.272 -7.318 1.00 0.00 N ATOM 1610 CA PRO A 106 -9.800 -6.653 -8.219 1.00 0.00 C ATOM 1611 C PRO A 106 -8.475 -6.008 -7.828 1.00 0.00 C ATOM 1612 O PRO A 106 -8.447 -4.907 -7.279 1.00 0.00 O ATOM 1613 CB PRO A 106 -10.266 -6.133 -9.581 1.00 0.00 C ATOM 1614 CG PRO A 106 -11.194 -5.012 -9.262 1.00 0.00 C ATOM 1615 CD PRO A 106 -11.872 -5.390 -7.974 1.00 0.00 C ATOM 0 HA PRO A 106 -9.611 -7.726 -8.199 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -9.424 -5.791 -10.183 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.770 -6.913 -10.151 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -10.650 -4.073 -9.156 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -11.923 -4.870 -10.060 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -12.095 -4.514 -7.365 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -12.817 -5.903 -8.153 1.00 0.00 H new ATOM 1623 N MET A 107 -7.377 -6.701 -8.116 1.00 0.00 N ATOM 1624 CA MET A 107 -6.048 -6.194 -7.795 1.00 0.00 C ATOM 1625 C MET A 107 -5.436 -5.477 -8.995 1.00 0.00 C ATOM 1626 O MET A 107 -5.434 -6.001 -10.109 1.00 0.00 O ATOM 1627 CB MET A 107 -5.136 -7.339 -7.351 1.00 0.00 C ATOM 1628 CG MET A 107 -5.706 -8.160 -6.206 1.00 0.00 C ATOM 1629 SD MET A 107 -4.423 -8.927 -5.196 1.00 0.00 S ATOM 1630 CE MET A 107 -5.092 -8.678 -3.553 1.00 0.00 C ATOM 0 H MET A 107 -7.382 -7.614 -8.571 1.00 0.00 H new ATOM 0 HA MET A 107 -6.146 -5.479 -6.978 1.00 0.00 H new ATOM 0 HB2 MET A 107 -4.951 -7.996 -8.201 1.00 0.00 H new ATOM 0 HB3 MET A 107 -4.172 -6.929 -7.049 1.00 0.00 H new ATOM 0 HG2 MET A 107 -6.324 -7.519 -5.577 1.00 0.00 H new ATOM 0 HG3 MET A 107 -6.358 -8.935 -6.609 1.00 0.00 H new ATOM 0 HE1 MET A 107 -4.410 -9.100 -2.815 1.00 0.00 H new ATOM 0 HE2 MET A 107 -5.213 -7.611 -3.367 1.00 0.00 H new ATOM 0 HE3 MET A 107 -6.061 -9.172 -3.476 1.00 0.00 H new ATOM 1640 N SER A 108 -4.918 -4.276 -8.759 1.00 0.00 N ATOM 1641 CA SER A 108 -4.307 -3.486 -9.821 1.00 0.00 C ATOM 1642 C SER A 108 -2.928 -4.032 -10.180 1.00 0.00 C ATOM 1643 O SER A 108 -2.386 -4.886 -9.480 1.00 0.00 O ATOM 1644 CB SER A 108 -4.192 -2.021 -9.395 1.00 0.00 C ATOM 1645 OG SER A 108 -3.188 -1.854 -8.409 1.00 0.00 O ATOM 0 H SER A 108 -4.909 -3.829 -7.842 1.00 0.00 H new ATOM 0 HA SER A 108 -4.946 -3.552 -10.702 1.00 0.00 H new ATOM 0 HB2 SER A 108 -3.960 -1.404 -10.263 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.150 -1.676 -9.005 1.00 0.00 H new ATOM 0 HG SER A 108 -3.133 -0.909 -8.155 1.00 0.00 H new ATOM 1651 N GLU A 109 -2.367 -3.531 -11.277 1.00 0.00 N ATOM 1652 CA GLU A 109 -1.052 -3.969 -11.729 1.00 0.00 C ATOM 1653 C GLU A 109 0.033 -3.543 -10.744 1.00 0.00 C ATOM 1654 O GLU A 109 -0.039 -2.465 -10.155 1.00 0.00 O ATOM 1655 CB GLU A 109 -0.750 -3.399 -13.117 1.00 0.00 C ATOM 1656 CG GLU A 109 -0.745 -1.880 -13.163 1.00 0.00 C ATOM 1657 CD GLU A 109 -0.525 -1.340 -14.562 1.00 0.00 C ATOM 1658 OE1 GLU A 109 -1.188 -1.831 -15.500 1.00 0.00 O ATOM 1659 OE2 GLU A 109 0.310 -0.425 -14.720 1.00 0.00 O ATOM 0 H GLU A 109 -2.802 -2.823 -11.868 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.059 -5.058 -11.785 1.00 0.00 H new ATOM 0 HB2 GLU A 109 0.221 -3.767 -13.449 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -1.491 -3.773 -13.823 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -1.693 -1.505 -12.778 1.00 0.00 H new ATOM 0 HG3 GLU A 109 0.038 -1.503 -12.505 1.00 0.00 H new ATOM 1666 N ALA A 110 1.036 -4.397 -10.571 1.00 0.00 N ATOM 1667 CA ALA A 110 2.136 -4.109 -9.659 1.00 0.00 C ATOM 1668 C ALA A 110 2.888 -2.853 -10.087 1.00 0.00 C ATOM 1669 O ALA A 110 3.435 -2.789 -11.188 1.00 0.00 O ATOM 1670 CB ALA A 110 3.085 -5.295 -9.585 1.00 0.00 C ATOM 0 H ALA A 110 1.110 -5.294 -11.051 1.00 0.00 H new ATOM 0 HA ALA A 110 1.717 -3.931 -8.668 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.901 -5.066 -8.900 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.545 -6.171 -9.225 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.489 -5.500 -10.576 1.00 0.00 H new ATOM 1676 N VAL A 111 2.911 -1.855 -9.209 1.00 0.00 N ATOM 1677 CA VAL A 111 3.597 -0.600 -9.495 1.00 0.00 C ATOM 1678 C VAL A 111 5.082 -0.698 -9.166 1.00 0.00 C ATOM 1679 O VAL A 111 5.475 -0.621 -8.002 1.00 0.00 O ATOM 1680 CB VAL A 111 2.982 0.569 -8.703 1.00 0.00 C ATOM 1681 CG1 VAL A 111 3.798 1.837 -8.904 1.00 0.00 C ATOM 1682 CG2 VAL A 111 1.534 0.786 -9.113 1.00 0.00 C ATOM 0 H VAL A 111 2.462 -1.891 -8.294 1.00 0.00 H new ATOM 0 HA VAL A 111 3.476 -0.409 -10.561 1.00 0.00 H new ATOM 0 HB VAL A 111 3.001 0.318 -7.643 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.349 2.652 -8.337 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.818 1.672 -8.557 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.813 2.096 -9.963 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.115 1.616 -8.544 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.488 1.016 -10.177 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.960 -0.118 -8.912 1.00 0.00 H new ATOM 1692 N GLN A 112 5.902 -0.869 -10.198 1.00 0.00 N ATOM 1693 CA GLN A 112 7.345 -0.977 -10.017 1.00 0.00 C ATOM 1694 C GLN A 112 7.956 0.381 -9.689 1.00 0.00 C ATOM 1695 O GLN A 112 8.158 1.212 -10.575 1.00 0.00 O ATOM 1696 CB GLN A 112 7.996 -1.552 -11.276 1.00 0.00 C ATOM 1697 CG GLN A 112 9.448 -1.957 -11.080 1.00 0.00 C ATOM 1698 CD GLN A 112 9.969 -2.826 -12.207 1.00 0.00 C ATOM 1699 OE1 GLN A 112 9.227 -3.190 -13.120 1.00 0.00 O ATOM 1700 NE2 GLN A 112 11.252 -3.165 -12.149 1.00 0.00 N ATOM 0 H GLN A 112 5.592 -0.936 -11.167 1.00 0.00 H new ATOM 0 HA GLN A 112 7.532 -1.650 -9.180 1.00 0.00 H new ATOM 0 HB2 GLN A 112 7.426 -2.421 -11.605 1.00 0.00 H new ATOM 0 HB3 GLN A 112 7.938 -0.812 -12.075 1.00 0.00 H new ATOM 0 HG2 GLN A 112 10.064 -1.061 -11.003 1.00 0.00 H new ATOM 0 HG3 GLN A 112 9.547 -2.494 -10.137 1.00 0.00 H new ATOM 0 HE21 GLN A 112 11.831 -2.841 -11.374 1.00 0.00 H new ATOM 0 HE22 GLN A 112 11.659 -3.749 -12.879 1.00 0.00 H new ATOM 1709 N PHE A 113 8.248 0.600 -8.412 1.00 0.00 N ATOM 1710 CA PHE A 113 8.836 1.858 -7.966 1.00 0.00 C ATOM 1711 C PHE A 113 10.190 1.622 -7.305 1.00 0.00 C ATOM 1712 O PHE A 113 10.281 0.968 -6.267 1.00 0.00 O ATOM 1713 CB PHE A 113 7.895 2.566 -6.989 1.00 0.00 C ATOM 1714 CG PHE A 113 8.571 3.630 -6.171 1.00 0.00 C ATOM 1715 CD1 PHE A 113 8.679 4.926 -6.649 1.00 0.00 C ATOM 1716 CD2 PHE A 113 9.098 3.333 -4.924 1.00 0.00 C ATOM 1717 CE1 PHE A 113 9.301 5.906 -5.899 1.00 0.00 C ATOM 1718 CE2 PHE A 113 9.720 4.309 -4.169 1.00 0.00 C ATOM 1719 CZ PHE A 113 9.821 5.597 -4.657 1.00 0.00 C ATOM 0 H PHE A 113 8.087 -0.078 -7.667 1.00 0.00 H new ATOM 0 HA PHE A 113 8.985 2.491 -8.841 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.074 3.015 -7.548 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.457 1.827 -6.318 1.00 0.00 H new ATOM 0 HD1 PHE A 113 8.273 5.173 -7.619 1.00 0.00 H new ATOM 0 HD2 PHE A 113 9.022 2.327 -4.538 1.00 0.00 H new ATOM 0 HE1 PHE A 113 9.380 6.912 -6.283 1.00 0.00 H new ATOM 0 HE2 PHE A 113 10.127 4.065 -3.199 1.00 0.00 H new ATOM 0 HZ PHE A 113 10.306 6.362 -4.068 1.00 0.00 H new ATOM 1729 N ARG A 114 11.241 2.159 -7.916 1.00 0.00 N ATOM 1730 CA ARG A 114 12.592 2.006 -7.389 1.00 0.00 C ATOM 1731 C ARG A 114 12.801 2.891 -6.163 1.00 0.00 C ATOM 1732 O ARG A 114 12.290 4.009 -6.096 1.00 0.00 O ATOM 1733 CB ARG A 114 13.624 2.353 -8.464 1.00 0.00 C ATOM 1734 CG ARG A 114 15.055 2.044 -8.056 1.00 0.00 C ATOM 1735 CD ARG A 114 16.040 2.998 -8.714 1.00 0.00 C ATOM 1736 NE ARG A 114 16.445 2.538 -10.040 1.00 0.00 N ATOM 1737 CZ ARG A 114 17.355 3.155 -10.785 1.00 0.00 C ATOM 1738 NH1 ARG A 114 17.951 4.251 -10.338 1.00 0.00 N ATOM 1739 NH2 ARG A 114 17.669 2.676 -11.982 1.00 0.00 N ATOM 0 H ARG A 114 11.183 2.704 -8.776 1.00 0.00 H new ATOM 0 HA ARG A 114 12.723 0.966 -7.091 1.00 0.00 H new ATOM 0 HB2 ARG A 114 13.387 1.802 -9.374 1.00 0.00 H new ATOM 0 HB3 ARG A 114 13.544 3.413 -8.704 1.00 0.00 H new ATOM 0 HG2 ARG A 114 15.149 2.113 -6.972 1.00 0.00 H new ATOM 0 HG3 ARG A 114 15.300 1.018 -8.332 1.00 0.00 H new ATOM 0 HD2 ARG A 114 15.588 3.986 -8.796 1.00 0.00 H new ATOM 0 HD3 ARG A 114 16.922 3.102 -8.081 1.00 0.00 H new ATOM 0 HE ARG A 114 16.005 1.697 -10.414 1.00 0.00 H new ATOM 0 HH11 ARG A 114 17.711 4.623 -9.419 1.00 0.00 H new ATOM 0 HH12 ARG A 114 18.649 4.722 -10.913 1.00 0.00 H new ATOM 0 HH21 ARG A 114 17.211 1.834 -12.330 1.00 0.00 H new ATOM 0 HH22 ARG A 114 18.368 3.150 -12.554 1.00 0.00 H new ATOM 1753 N THR A 115 13.555 2.382 -5.194 1.00 0.00 N ATOM 1754 CA THR A 115 13.830 3.124 -3.970 1.00 0.00 C ATOM 1755 C THR A 115 14.951 4.136 -4.181 1.00 0.00 C ATOM 1756 O THR A 115 15.866 3.928 -4.978 1.00 0.00 O ATOM 1757 CB THR A 115 14.216 2.180 -2.816 1.00 0.00 C ATOM 1758 OG1 THR A 115 15.157 1.203 -3.275 1.00 0.00 O ATOM 1759 CG2 THR A 115 12.987 1.483 -2.253 1.00 0.00 C ATOM 0 H THR A 115 13.986 1.458 -5.233 1.00 0.00 H new ATOM 0 HA THR A 115 12.913 3.651 -3.707 1.00 0.00 H new ATOM 0 HB THR A 115 14.670 2.777 -2.025 1.00 0.00 H new ATOM 0 HG1 THR A 115 14.848 0.308 -3.024 1.00 0.00 H new ATOM 0 HG21 THR A 115 13.285 0.822 -1.439 1.00 0.00 H new ATOM 0 HG22 THR A 115 12.286 2.228 -1.877 1.00 0.00 H new ATOM 0 HG23 THR A 115 12.508 0.899 -3.039 1.00 0.00 H new ATOM 1767 N PRO A 116 14.882 5.258 -3.450 1.00 0.00 N ATOM 1768 CA PRO A 116 15.884 6.324 -3.538 1.00 0.00 C ATOM 1769 C PRO A 116 17.227 5.907 -2.950 1.00 0.00 C ATOM 1770 O PRO A 116 17.485 4.721 -2.742 1.00 0.00 O ATOM 1771 CB PRO A 116 15.268 7.459 -2.715 1.00 0.00 C ATOM 1772 CG PRO A 116 14.353 6.778 -1.757 1.00 0.00 C ATOM 1773 CD PRO A 116 13.819 5.572 -2.479 1.00 0.00 C ATOM 0 HA PRO A 116 16.099 6.597 -4.571 1.00 0.00 H new ATOM 0 HB2 PRO A 116 16.035 8.030 -2.192 1.00 0.00 H new ATOM 0 HB3 PRO A 116 14.726 8.160 -3.350 1.00 0.00 H new ATOM 0 HG2 PRO A 116 14.884 6.487 -0.851 1.00 0.00 H new ATOM 0 HG3 PRO A 116 13.543 7.441 -1.453 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.640 4.741 -1.796 1.00 0.00 H new ATOM 0 HD3 PRO A 116 12.872 5.787 -2.975 1.00 0.00 H new ATOM 1781 N LYS A 117 18.081 6.889 -2.682 1.00 0.00 N ATOM 1782 CA LYS A 117 19.398 6.626 -2.115 1.00 0.00 C ATOM 1783 C LYS A 117 19.756 7.668 -1.061 1.00 0.00 C ATOM 1784 O LYS A 117 19.307 8.812 -1.129 1.00 0.00 O ATOM 1785 CB LYS A 117 20.459 6.617 -3.219 1.00 0.00 C ATOM 1786 CG LYS A 117 20.317 5.456 -4.189 1.00 0.00 C ATOM 1787 CD LYS A 117 21.210 4.291 -3.799 1.00 0.00 C ATOM 1788 CE LYS A 117 20.752 3.649 -2.498 1.00 0.00 C ATOM 1789 NZ LYS A 117 21.532 2.421 -2.181 1.00 0.00 N ATOM 0 H LYS A 117 17.884 7.876 -2.849 1.00 0.00 H new ATOM 0 HA LYS A 117 19.370 5.647 -1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 117 20.401 7.553 -3.775 1.00 0.00 H new ATOM 0 HB3 LYS A 117 21.447 6.578 -2.761 1.00 0.00 H new ATOM 0 HG2 LYS A 117 19.278 5.127 -4.214 1.00 0.00 H new ATOM 0 HG3 LYS A 117 20.570 5.789 -5.196 1.00 0.00 H new ATOM 0 HD2 LYS A 117 21.206 3.546 -4.595 1.00 0.00 H new ATOM 0 HD3 LYS A 117 22.238 4.639 -3.693 1.00 0.00 H new ATOM 0 HE2 LYS A 117 20.856 4.366 -1.683 1.00 0.00 H new ATOM 0 HE3 LYS A 117 19.694 3.399 -2.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 20.879 1.642 -1.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 22.117 2.160 -3.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 22.145 2.601 -1.361 1.00 0.00 H new ATOM 1803 N ALA A 118 20.567 7.266 -0.088 1.00 0.00 N ATOM 1804 CA ALA A 118 20.987 8.166 0.978 1.00 0.00 C ATOM 1805 C ALA A 118 22.061 9.132 0.489 1.00 0.00 C ATOM 1806 O ALA A 118 23.237 8.988 0.823 1.00 0.00 O ATOM 1807 CB ALA A 118 21.494 7.371 2.172 1.00 0.00 C ATOM 0 H ALA A 118 20.946 6.322 -0.016 1.00 0.00 H new ATOM 0 HA ALA A 118 20.121 8.752 1.287 1.00 0.00 H new ATOM 0 HB1 ALA A 118 21.804 8.057 2.960 1.00 0.00 H new ATOM 0 HB2 ALA A 118 20.698 6.726 2.544 1.00 0.00 H new ATOM 0 HB3 ALA A 118 22.344 6.760 1.868 1.00 0.00 H new ATOM 1813 N SER A 119 21.649 10.117 -0.303 1.00 0.00 N ATOM 1814 CA SER A 119 22.577 11.104 -0.842 1.00 0.00 C ATOM 1815 C SER A 119 22.360 12.466 -0.189 1.00 0.00 C ATOM 1816 O SER A 119 21.307 12.729 0.389 1.00 0.00 O ATOM 1817 CB SER A 119 22.408 11.220 -2.358 1.00 0.00 C ATOM 1818 OG SER A 119 23.146 10.214 -3.031 1.00 0.00 O ATOM 0 H SER A 119 20.678 10.253 -0.586 1.00 0.00 H new ATOM 0 HA SER A 119 23.591 10.772 -0.621 1.00 0.00 H new ATOM 0 HB2 SER A 119 21.353 11.136 -2.617 1.00 0.00 H new ATOM 0 HB3 SER A 119 22.741 12.203 -2.690 1.00 0.00 H new ATOM 0 HG SER A 119 23.020 10.308 -3.998 1.00 0.00 H new ATOM 1824 N GLY A 120 23.367 13.329 -0.287 1.00 0.00 N ATOM 1825 CA GLY A 120 23.268 14.653 0.298 1.00 0.00 C ATOM 1826 C GLY A 120 22.742 15.682 -0.682 1.00 0.00 C ATOM 1827 O GLY A 120 23.051 15.650 -1.874 1.00 0.00 O ATOM 0 H GLY A 120 24.249 13.135 -0.761 1.00 0.00 H new ATOM 0 HA2 GLY A 120 22.611 14.615 1.167 1.00 0.00 H new ATOM 0 HA3 GLY A 120 24.250 14.964 0.654 1.00 0.00 H new ATOM 1831 N PRO A 121 21.926 16.621 -0.180 1.00 0.00 N ATOM 1832 CA PRO A 121 21.338 17.681 -1.004 1.00 0.00 C ATOM 1833 C PRO A 121 22.376 18.695 -1.473 1.00 0.00 C ATOM 1834 O PRO A 121 22.050 19.651 -2.176 1.00 0.00 O ATOM 1835 CB PRO A 121 20.330 18.344 -0.062 1.00 0.00 C ATOM 1836 CG PRO A 121 20.850 18.066 1.306 1.00 0.00 C ATOM 1837 CD PRO A 121 21.515 16.720 1.230 1.00 0.00 C ATOM 0 HA PRO A 121 20.893 17.287 -1.918 1.00 0.00 H new ATOM 0 HB2 PRO A 121 20.260 19.416 -0.248 1.00 0.00 H new ATOM 0 HB3 PRO A 121 19.331 17.931 -0.197 1.00 0.00 H new ATOM 0 HG2 PRO A 121 21.558 18.834 1.618 1.00 0.00 H new ATOM 0 HG3 PRO A 121 20.042 18.061 2.037 1.00 0.00 H new ATOM 0 HD2 PRO A 121 22.370 16.656 1.903 1.00 0.00 H new ATOM 0 HD3 PRO A 121 20.831 15.918 1.506 1.00 0.00 H new ATOM 1845 N SER A 122 23.627 18.480 -1.078 1.00 0.00 N ATOM 1846 CA SER A 122 24.713 19.377 -1.455 1.00 0.00 C ATOM 1847 C SER A 122 24.540 19.865 -2.890 1.00 0.00 C ATOM 1848 O SER A 122 24.798 19.129 -3.843 1.00 0.00 O ATOM 1849 CB SER A 122 26.062 18.672 -1.303 1.00 0.00 C ATOM 1850 OG SER A 122 27.116 19.610 -1.171 1.00 0.00 O ATOM 0 H SER A 122 23.913 17.692 -0.497 1.00 0.00 H new ATOM 0 HA SER A 122 24.686 20.240 -0.790 1.00 0.00 H new ATOM 0 HB2 SER A 122 26.039 18.021 -0.429 1.00 0.00 H new ATOM 0 HB3 SER A 122 26.243 18.036 -2.170 1.00 0.00 H new ATOM 0 HG SER A 122 27.967 19.134 -1.074 1.00 0.00 H new ATOM 1856 N SER A 123 24.103 21.112 -3.036 1.00 0.00 N ATOM 1857 CA SER A 123 23.892 21.698 -4.354 1.00 0.00 C ATOM 1858 C SER A 123 25.096 21.452 -5.258 1.00 0.00 C ATOM 1859 O SER A 123 26.242 21.501 -4.812 1.00 0.00 O ATOM 1860 CB SER A 123 23.632 23.201 -4.231 1.00 0.00 C ATOM 1861 OG SER A 123 24.770 23.876 -3.725 1.00 0.00 O ATOM 0 H SER A 123 23.888 21.735 -2.258 1.00 0.00 H new ATOM 0 HA SER A 123 23.020 21.220 -4.801 1.00 0.00 H new ATOM 0 HB2 SER A 123 23.368 23.608 -5.207 1.00 0.00 H new ATOM 0 HB3 SER A 123 22.781 23.373 -3.573 1.00 0.00 H new ATOM 0 HG SER A 123 24.579 24.835 -3.658 1.00 0.00 H new ATOM 1867 N GLY A 124 24.827 21.185 -6.532 1.00 0.00 N ATOM 1868 CA GLY A 124 25.898 20.934 -7.480 1.00 0.00 C ATOM 1869 C GLY A 124 25.379 20.553 -8.852 1.00 0.00 C ATOM 1870 O GLY A 124 24.180 20.348 -9.035 1.00 0.00 O ATOM 0 H GLY A 124 23.887 21.138 -6.925 1.00 0.00 H new ATOM 0 HA2 GLY A 124 26.520 21.825 -7.565 1.00 0.00 H new ATOM 0 HA3 GLY A 124 26.535 20.135 -7.101 1.00 0.00 H new TER 1874 GLY A 124