USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 781 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 12 TYR OH : rot 30:sc= -1.16 USER MOD Set 1.2: A 60 GLN : amide:sc= -5.67! C(o=-9.8!,f=-16!) USER MOD Set 1.3: A 93 LYS NZ :NH3+ -148:sc= -3.02 (180deg=-3.63!) USER MOD Set 2.1: A 34 TYR OH : rot 77:sc= 0.616 USER MOD Set 2.2: A 74 HIS : no HE2:sc= -0.573 K(o=0.043,f=-1.6) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -58:sc=0.000538 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -164:sc= -1.18 (180deg=-2.88) USER MOD Single : A 19 LYS NZ :NH3+ 159:sc= -0.354 (180deg=-0.589) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0687 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 142:sc= -5.68! (180deg=-10.4!) USER MOD Single : A 39 TYR OH : rot -113:sc= 0.0401 USER MOD Single : A 52 ASN : amide:sc= -4.6 K(o=-4.6,f=-9.2!) USER MOD Single : A 55 MET CE :methyl 160:sc= -1.75 (180deg=-3.53!) USER MOD Single : A 65 ASN : amide:sc= -0.754 K(o=-0.75,f=-4.7!) USER MOD Single : A 68 SER OG : rot -150:sc= 0 USER MOD Single : A 69 THR OG1 : rot -61:sc= 0.82 USER MOD Single : A 72 MET CE :methyl -150:sc= -2.18 (180deg=-5.85!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -22:sc= 0.292 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.693 -19.541 -8.174 1.00 0.00 N ATOM 2 CA GLY A 1 9.663 -19.963 -9.106 1.00 0.00 C ATOM 3 C GLY A 1 9.998 -19.607 -10.540 1.00 0.00 C ATOM 4 O GLY A 1 10.289 -18.452 -10.849 1.00 0.00 O ATOM 0 H1 GLY A 1 10.417 -19.807 -7.207 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.592 -20.004 -8.417 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.809 -18.509 -8.229 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.524 -21.041 -9.025 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.716 -19.498 -8.831 1.00 0.00 H new ATOM 8 N SER A 2 9.958 -20.603 -11.420 1.00 0.00 N ATOM 9 CA SER A 2 10.266 -20.390 -12.830 1.00 0.00 C ATOM 10 C SER A 2 8.987 -20.287 -13.655 1.00 0.00 C ATOM 11 O SER A 2 8.899 -20.833 -14.755 1.00 0.00 O ATOM 12 CB SER A 2 11.138 -21.529 -13.361 1.00 0.00 C ATOM 13 OG SER A 2 12.278 -21.723 -12.541 1.00 0.00 O ATOM 0 H SER A 2 9.716 -21.565 -11.182 1.00 0.00 H new ATOM 0 HA SER A 2 10.813 -19.451 -12.920 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.555 -22.449 -13.402 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.453 -21.305 -14.380 1.00 0.00 H new ATOM 0 HG SER A 2 12.818 -22.457 -12.900 1.00 0.00 H new ATOM 19 N SER A 3 7.997 -19.584 -13.115 1.00 0.00 N ATOM 20 CA SER A 3 6.720 -19.411 -13.798 1.00 0.00 C ATOM 21 C SER A 3 6.435 -17.934 -14.052 1.00 0.00 C ATOM 22 O SER A 3 7.076 -17.058 -13.474 1.00 0.00 O ATOM 23 CB SER A 3 5.588 -20.027 -12.973 1.00 0.00 C ATOM 24 OG SER A 3 5.746 -21.430 -12.858 1.00 0.00 O ATOM 0 H SER A 3 8.054 -19.125 -12.206 1.00 0.00 H new ATOM 0 HA SER A 3 6.778 -19.922 -14.759 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.571 -19.577 -11.980 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.629 -19.803 -13.441 1.00 0.00 H new ATOM 0 HG SER A 3 5.011 -21.799 -12.325 1.00 0.00 H new ATOM 30 N GLY A 4 5.466 -17.666 -14.923 1.00 0.00 N ATOM 31 CA GLY A 4 5.112 -16.295 -15.239 1.00 0.00 C ATOM 32 C GLY A 4 3.630 -16.127 -15.512 1.00 0.00 C ATOM 33 O GLY A 4 3.022 -15.144 -15.090 1.00 0.00 O ATOM 0 H GLY A 4 4.921 -18.374 -15.415 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.401 -15.648 -14.411 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.678 -15.969 -16.111 1.00 0.00 H new ATOM 37 N SER A 5 3.048 -17.088 -16.222 1.00 0.00 N ATOM 38 CA SER A 5 1.630 -17.040 -16.556 1.00 0.00 C ATOM 39 C SER A 5 1.256 -15.683 -17.145 1.00 0.00 C ATOM 40 O SER A 5 0.235 -15.098 -16.786 1.00 0.00 O ATOM 41 CB SER A 5 0.782 -17.320 -15.314 1.00 0.00 C ATOM 42 OG SER A 5 -0.511 -17.776 -15.671 1.00 0.00 O ATOM 0 H SER A 5 3.537 -17.910 -16.577 1.00 0.00 H new ATOM 0 HA SER A 5 1.432 -17.808 -17.303 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.276 -18.068 -14.694 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.699 -16.413 -14.715 1.00 0.00 H new ATOM 0 HG SER A 5 -0.948 -17.108 -16.240 1.00 0.00 H new ATOM 48 N SER A 6 2.093 -15.188 -18.052 1.00 0.00 N ATOM 49 CA SER A 6 1.854 -13.898 -18.689 1.00 0.00 C ATOM 50 C SER A 6 1.929 -12.766 -17.669 1.00 0.00 C ATOM 51 O SER A 6 1.059 -11.898 -17.623 1.00 0.00 O ATOM 52 CB SER A 6 0.487 -13.890 -19.376 1.00 0.00 C ATOM 53 OG SER A 6 0.468 -12.983 -20.464 1.00 0.00 O ATOM 0 H SER A 6 2.942 -15.661 -18.362 1.00 0.00 H new ATOM 0 HA SER A 6 2.630 -13.741 -19.438 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.249 -14.893 -19.730 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.284 -13.615 -18.656 1.00 0.00 H new ATOM 0 HG SER A 6 -0.416 -12.998 -20.887 1.00 0.00 H new ATOM 59 N GLY A 7 2.978 -12.783 -16.852 1.00 0.00 N ATOM 60 CA GLY A 7 3.149 -11.754 -15.843 1.00 0.00 C ATOM 61 C GLY A 7 4.596 -11.591 -15.421 1.00 0.00 C ATOM 62 O GLY A 7 5.243 -12.556 -15.016 1.00 0.00 O ATOM 0 H GLY A 7 3.712 -13.491 -16.871 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.777 -10.805 -16.230 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.545 -12.001 -14.970 1.00 0.00 H new ATOM 66 N GLN A 8 5.104 -10.367 -15.516 1.00 0.00 N ATOM 67 CA GLN A 8 6.484 -10.082 -15.143 1.00 0.00 C ATOM 68 C GLN A 8 6.547 -8.989 -14.081 1.00 0.00 C ATOM 69 O GLN A 8 6.343 -7.811 -14.375 1.00 0.00 O ATOM 70 CB GLN A 8 7.291 -9.660 -16.373 1.00 0.00 C ATOM 71 CG GLN A 8 7.427 -10.757 -17.417 1.00 0.00 C ATOM 72 CD GLN A 8 8.698 -10.631 -18.233 1.00 0.00 C ATOM 73 OE1 GLN A 8 9.744 -11.162 -17.860 1.00 0.00 O ATOM 74 NE2 GLN A 8 8.613 -9.926 -19.356 1.00 0.00 N ATOM 0 H GLN A 8 4.581 -9.557 -15.848 1.00 0.00 H new ATOM 0 HA GLN A 8 6.916 -10.993 -14.728 1.00 0.00 H new ATOM 0 HB2 GLN A 8 6.815 -8.792 -16.830 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.286 -9.347 -16.055 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.412 -11.728 -16.922 1.00 0.00 H new ATOM 0 HG3 GLN A 8 6.566 -10.726 -18.085 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.725 -9.503 -19.627 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.436 -9.808 -19.947 1.00 0.00 H new ATOM 83 N ASP A 9 6.829 -9.388 -12.846 1.00 0.00 N ATOM 84 CA ASP A 9 6.919 -8.443 -11.739 1.00 0.00 C ATOM 85 C ASP A 9 8.315 -7.833 -11.657 1.00 0.00 C ATOM 86 O ASP A 9 9.240 -8.280 -12.336 1.00 0.00 O ATOM 87 CB ASP A 9 6.574 -9.135 -10.419 1.00 0.00 C ATOM 88 CG ASP A 9 7.193 -10.514 -10.310 1.00 0.00 C ATOM 89 OD1 ASP A 9 8.438 -10.610 -10.346 1.00 0.00 O ATOM 90 OD2 ASP A 9 6.434 -11.498 -10.186 1.00 0.00 O ATOM 0 H ASP A 9 6.999 -10.360 -12.586 1.00 0.00 H new ATOM 0 HA ASP A 9 6.202 -7.642 -11.919 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.918 -8.519 -9.588 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.491 -9.218 -10.328 1.00 0.00 H new ATOM 95 N PHE A 10 8.460 -6.809 -10.822 1.00 0.00 N ATOM 96 CA PHE A 10 9.743 -6.136 -10.653 1.00 0.00 C ATOM 97 C PHE A 10 10.137 -6.079 -9.180 1.00 0.00 C ATOM 98 O PHE A 10 9.459 -6.646 -8.323 1.00 0.00 O ATOM 99 CB PHE A 10 9.680 -4.721 -11.231 1.00 0.00 C ATOM 100 CG PHE A 10 8.807 -4.608 -12.448 1.00 0.00 C ATOM 101 CD1 PHE A 10 8.907 -5.532 -13.476 1.00 0.00 C ATOM 102 CD2 PHE A 10 7.886 -3.579 -12.564 1.00 0.00 C ATOM 103 CE1 PHE A 10 8.105 -5.430 -14.598 1.00 0.00 C ATOM 104 CE2 PHE A 10 7.081 -3.473 -13.683 1.00 0.00 C ATOM 105 CZ PHE A 10 7.191 -4.400 -14.700 1.00 0.00 C ATOM 0 H PHE A 10 7.705 -6.427 -10.252 1.00 0.00 H new ATOM 0 HA PHE A 10 10.499 -6.708 -11.191 1.00 0.00 H new ATOM 0 HB2 PHE A 10 9.310 -4.040 -10.464 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.689 -4.396 -11.486 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.619 -6.341 -13.400 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.796 -2.851 -11.771 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.193 -6.155 -15.394 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.367 -2.666 -13.761 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.563 -4.320 -15.575 1.00 0.00 H new ATOM 115 N ASP A 11 11.238 -5.392 -8.895 1.00 0.00 N ATOM 116 CA ASP A 11 11.723 -5.260 -7.526 1.00 0.00 C ATOM 117 C ASP A 11 10.570 -4.995 -6.564 1.00 0.00 C ATOM 118 O ASP A 11 10.051 -3.880 -6.493 1.00 0.00 O ATOM 119 CB ASP A 11 12.751 -4.131 -7.434 1.00 0.00 C ATOM 120 CG ASP A 11 13.796 -4.386 -6.366 1.00 0.00 C ATOM 121 OD1 ASP A 11 14.126 -5.567 -6.128 1.00 0.00 O ATOM 122 OD2 ASP A 11 14.284 -3.405 -5.767 1.00 0.00 O ATOM 0 H ASP A 11 11.811 -4.918 -9.593 1.00 0.00 H new ATOM 0 HA ASP A 11 12.199 -6.199 -7.243 1.00 0.00 H new ATOM 0 HB2 ASP A 11 13.243 -4.012 -8.399 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.238 -3.193 -7.220 1.00 0.00 H new ATOM 127 N TYR A 12 10.173 -6.026 -5.826 1.00 0.00 N ATOM 128 CA TYR A 12 9.079 -5.905 -4.870 1.00 0.00 C ATOM 129 C TYR A 12 9.556 -5.255 -3.574 1.00 0.00 C ATOM 130 O TYR A 12 10.033 -5.934 -2.664 1.00 0.00 O ATOM 131 CB TYR A 12 8.479 -7.280 -4.573 1.00 0.00 C ATOM 132 CG TYR A 12 7.434 -7.714 -5.575 1.00 0.00 C ATOM 133 CD1 TYR A 12 6.447 -6.835 -6.004 1.00 0.00 C ATOM 134 CD2 TYR A 12 7.432 -9.003 -6.093 1.00 0.00 C ATOM 135 CE1 TYR A 12 5.489 -7.227 -6.919 1.00 0.00 C ATOM 136 CE2 TYR A 12 6.479 -9.404 -7.010 1.00 0.00 C ATOM 137 CZ TYR A 12 5.510 -8.512 -7.419 1.00 0.00 C ATOM 138 OH TYR A 12 4.558 -8.907 -8.331 1.00 0.00 O ATOM 0 H TYR A 12 10.593 -6.955 -5.872 1.00 0.00 H new ATOM 0 HA TYR A 12 8.312 -5.269 -5.313 1.00 0.00 H new ATOM 0 HB2 TYR A 12 9.279 -8.020 -4.552 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.033 -7.265 -3.579 1.00 0.00 H new ATOM 0 HD1 TYR A 12 6.428 -5.828 -5.615 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.189 -9.704 -5.773 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.728 -6.531 -7.241 1.00 0.00 H new ATOM 0 HE2 TYR A 12 6.493 -10.410 -7.404 1.00 0.00 H new ATOM 0 HH TYR A 12 4.273 -8.134 -8.862 1.00 0.00 H new ATOM 148 N PHE A 13 9.424 -3.935 -3.498 1.00 0.00 N ATOM 149 CA PHE A 13 9.842 -3.192 -2.315 1.00 0.00 C ATOM 150 C PHE A 13 8.631 -2.701 -1.526 1.00 0.00 C ATOM 151 O PHE A 13 7.537 -2.553 -2.072 1.00 0.00 O ATOM 152 CB PHE A 13 10.719 -2.004 -2.716 1.00 0.00 C ATOM 153 CG PHE A 13 9.950 -0.875 -3.341 1.00 0.00 C ATOM 154 CD1 PHE A 13 9.266 0.035 -2.551 1.00 0.00 C ATOM 155 CD2 PHE A 13 9.912 -0.723 -4.718 1.00 0.00 C ATOM 156 CE1 PHE A 13 8.558 1.075 -3.124 1.00 0.00 C ATOM 157 CE2 PHE A 13 9.205 0.314 -5.296 1.00 0.00 C ATOM 158 CZ PHE A 13 8.528 1.215 -4.498 1.00 0.00 C ATOM 0 H PHE A 13 9.031 -3.358 -4.241 1.00 0.00 H new ATOM 0 HA PHE A 13 10.420 -3.863 -1.680 1.00 0.00 H new ATOM 0 HB2 PHE A 13 11.240 -1.633 -1.833 1.00 0.00 H new ATOM 0 HB3 PHE A 13 11.481 -2.345 -3.416 1.00 0.00 H new ATOM 0 HD1 PHE A 13 9.286 -0.069 -1.476 1.00 0.00 H new ATOM 0 HD2 PHE A 13 10.441 -1.424 -5.347 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.029 1.778 -2.498 1.00 0.00 H new ATOM 0 HE2 PHE A 13 9.182 0.420 -6.371 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.976 2.027 -4.947 1.00 0.00 H new ATOM 168 N THR A 14 8.835 -2.449 -0.237 1.00 0.00 N ATOM 169 CA THR A 14 7.762 -1.977 0.629 1.00 0.00 C ATOM 170 C THR A 14 7.861 -0.473 0.856 1.00 0.00 C ATOM 171 O THR A 14 8.924 0.123 0.682 1.00 0.00 O ATOM 172 CB THR A 14 7.784 -2.693 1.992 1.00 0.00 C ATOM 173 OG1 THR A 14 9.094 -2.616 2.566 1.00 0.00 O ATOM 174 CG2 THR A 14 7.375 -4.151 1.845 1.00 0.00 C ATOM 0 H THR A 14 9.734 -2.564 0.231 1.00 0.00 H new ATOM 0 HA THR A 14 6.824 -2.205 0.123 1.00 0.00 H new ATOM 0 HB THR A 14 7.070 -2.196 2.649 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.098 -3.072 3.433 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.398 -4.636 2.821 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.366 -4.206 1.436 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.067 -4.657 1.172 1.00 0.00 H new ATOM 182 N VAL A 15 6.745 0.136 1.246 1.00 0.00 N ATOM 183 CA VAL A 15 6.707 1.572 1.499 1.00 0.00 C ATOM 184 C VAL A 15 6.452 1.864 2.973 1.00 0.00 C ATOM 185 O VAL A 15 5.693 1.155 3.634 1.00 0.00 O ATOM 186 CB VAL A 15 5.619 2.261 0.654 1.00 0.00 C ATOM 187 CG1 VAL A 15 5.678 3.771 0.836 1.00 0.00 C ATOM 188 CG2 VAL A 15 5.766 1.887 -0.813 1.00 0.00 C ATOM 0 H VAL A 15 5.856 -0.342 1.393 1.00 0.00 H new ATOM 0 HA VAL A 15 7.682 1.970 1.217 1.00 0.00 H new ATOM 0 HB VAL A 15 4.644 1.915 0.997 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.902 4.241 0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.519 4.017 1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.655 4.138 0.521 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.989 2.383 -1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.745 2.202 -1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.669 0.807 -0.925 1.00 0.00 H new ATOM 198 N ASP A 16 7.090 2.912 3.482 1.00 0.00 N ATOM 199 CA ASP A 16 6.931 3.299 4.879 1.00 0.00 C ATOM 200 C ASP A 16 6.749 4.808 5.007 1.00 0.00 C ATOM 201 O ASP A 16 7.658 5.580 4.703 1.00 0.00 O ATOM 202 CB ASP A 16 8.142 2.847 5.696 1.00 0.00 C ATOM 203 CG ASP A 16 7.984 3.140 7.176 1.00 0.00 C ATOM 204 OD1 ASP A 16 7.966 4.332 7.547 1.00 0.00 O ATOM 205 OD2 ASP A 16 7.877 2.176 7.962 1.00 0.00 O ATOM 0 H ASP A 16 7.722 3.509 2.948 1.00 0.00 H new ATOM 0 HA ASP A 16 6.038 2.810 5.267 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.293 1.777 5.555 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.036 3.347 5.323 1.00 0.00 H new ATOM 210 N MET A 17 5.570 5.221 5.459 1.00 0.00 N ATOM 211 CA MET A 17 5.269 6.638 5.627 1.00 0.00 C ATOM 212 C MET A 17 4.282 6.852 6.769 1.00 0.00 C ATOM 213 O MET A 17 3.752 5.894 7.331 1.00 0.00 O ATOM 214 CB MET A 17 4.702 7.218 4.330 1.00 0.00 C ATOM 215 CG MET A 17 5.154 6.476 3.083 1.00 0.00 C ATOM 216 SD MET A 17 4.603 7.274 1.563 1.00 0.00 S ATOM 217 CE MET A 17 2.841 7.395 1.863 1.00 0.00 C ATOM 0 H MET A 17 4.807 4.595 5.716 1.00 0.00 H new ATOM 0 HA MET A 17 6.197 7.155 5.872 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.613 7.200 4.379 1.00 0.00 H new ATOM 0 HB3 MET A 17 5.000 8.263 4.249 1.00 0.00 H new ATOM 0 HG2 MET A 17 6.242 6.408 3.080 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.771 5.456 3.113 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.325 7.598 0.924 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.478 6.456 2.281 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.646 8.205 2.566 1.00 0.00 H new ATOM 227 N GLU A 18 4.039 8.115 7.107 1.00 0.00 N ATOM 228 CA GLU A 18 3.115 8.453 8.183 1.00 0.00 C ATOM 229 C GLU A 18 2.019 9.391 7.685 1.00 0.00 C ATOM 230 O GLU A 18 2.074 9.887 6.559 1.00 0.00 O ATOM 231 CB GLU A 18 3.868 9.104 9.346 1.00 0.00 C ATOM 232 CG GLU A 18 4.318 8.115 10.408 1.00 0.00 C ATOM 233 CD GLU A 18 5.595 8.546 11.103 1.00 0.00 C ATOM 234 OE1 GLU A 18 6.686 8.291 10.551 1.00 0.00 O ATOM 235 OE2 GLU A 18 5.503 9.139 12.198 1.00 0.00 O ATOM 0 H GLU A 18 4.469 8.920 6.651 1.00 0.00 H new ATOM 0 HA GLU A 18 2.650 7.531 8.531 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.741 9.627 8.955 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.227 9.854 9.808 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.527 7.998 11.149 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.471 7.139 9.948 1.00 0.00 H new ATOM 242 N LYS A 19 1.023 9.629 8.531 1.00 0.00 N ATOM 243 CA LYS A 19 -0.087 10.507 8.180 1.00 0.00 C ATOM 244 C LYS A 19 0.268 11.966 8.445 1.00 0.00 C ATOM 245 O LYS A 19 0.979 12.279 9.399 1.00 0.00 O ATOM 246 CB LYS A 19 -1.339 10.123 8.973 1.00 0.00 C ATOM 247 CG LYS A 19 -2.637 10.477 8.269 1.00 0.00 C ATOM 248 CD LYS A 19 -3.758 9.526 8.655 1.00 0.00 C ATOM 249 CE LYS A 19 -3.671 8.220 7.881 1.00 0.00 C ATOM 250 NZ LYS A 19 -4.995 7.546 7.779 1.00 0.00 N ATOM 0 H LYS A 19 0.962 9.226 9.466 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.288 10.388 7.115 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.321 9.051 9.167 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.313 10.622 9.942 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.922 11.498 8.521 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.487 10.445 7.190 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.710 9.320 9.724 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.721 10.000 8.464 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.285 8.416 6.881 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.961 7.554 8.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.985 6.881 6.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.189 7.027 8.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.737 8.259 7.627 1.00 0.00 H new ATOM 264 N GLY A 20 -0.233 12.857 7.594 1.00 0.00 N ATOM 265 CA GLY A 20 0.042 14.272 7.755 1.00 0.00 C ATOM 266 C GLY A 20 -1.181 15.054 8.193 1.00 0.00 C ATOM 267 O GLY A 20 -1.964 14.584 9.018 1.00 0.00 O ATOM 0 H GLY A 20 -0.824 12.623 6.796 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.836 14.403 8.490 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.410 14.677 6.812 1.00 0.00 H new ATOM 271 N ALA A 21 -1.344 16.252 7.642 1.00 0.00 N ATOM 272 CA ALA A 21 -2.480 17.101 7.981 1.00 0.00 C ATOM 273 C ALA A 21 -3.768 16.564 7.367 1.00 0.00 C ATOM 274 O ALA A 21 -4.761 16.357 8.065 1.00 0.00 O ATOM 275 CB ALA A 21 -2.228 18.529 7.519 1.00 0.00 C ATOM 0 H ALA A 21 -0.704 16.657 6.959 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.595 17.097 9.065 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.084 19.152 7.779 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.335 18.918 8.008 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.084 18.542 6.439 1.00 0.00 H new ATOM 281 N LYS A 22 -3.747 16.341 6.058 1.00 0.00 N ATOM 282 CA LYS A 22 -4.913 15.828 5.349 1.00 0.00 C ATOM 283 C LYS A 22 -4.711 14.368 4.955 1.00 0.00 C ATOM 284 O LYS A 22 -5.266 13.901 3.961 1.00 0.00 O ATOM 285 CB LYS A 22 -5.189 16.670 4.101 1.00 0.00 C ATOM 286 CG LYS A 22 -6.042 17.898 4.373 1.00 0.00 C ATOM 287 CD LYS A 22 -7.500 17.527 4.586 1.00 0.00 C ATOM 288 CE LYS A 22 -8.268 18.653 5.262 1.00 0.00 C ATOM 289 NZ LYS A 22 -9.597 18.198 5.758 1.00 0.00 N ATOM 0 H LYS A 22 -2.934 16.508 5.465 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.771 15.891 6.019 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.240 16.986 3.669 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -5.688 16.049 3.357 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.665 18.416 5.255 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.960 18.592 3.536 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.962 17.295 3.626 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.562 16.626 5.196 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.683 19.042 6.095 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.405 19.474 4.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.089 18.994 6.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.165 17.850 4.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.466 17.432 6.449 1.00 0.00 H new ATOM 303 N GLY A 23 -3.914 13.652 5.742 1.00 0.00 N ATOM 304 CA GLY A 23 -3.655 12.252 5.460 1.00 0.00 C ATOM 305 C GLY A 23 -2.232 12.008 4.999 1.00 0.00 C ATOM 306 O GLY A 23 -1.419 12.931 4.954 1.00 0.00 O ATOM 0 H GLY A 23 -3.443 14.016 6.570 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.850 11.662 6.356 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.347 11.905 4.693 1.00 0.00 H new ATOM 310 N PHE A 24 -1.928 10.760 4.658 1.00 0.00 N ATOM 311 CA PHE A 24 -0.592 10.396 4.201 1.00 0.00 C ATOM 312 C PHE A 24 -0.158 11.276 3.033 1.00 0.00 C ATOM 313 O PHE A 24 1.032 11.410 2.751 1.00 0.00 O ATOM 314 CB PHE A 24 -0.555 8.923 3.787 1.00 0.00 C ATOM 315 CG PHE A 24 -0.590 7.972 4.949 1.00 0.00 C ATOM 316 CD1 PHE A 24 0.565 7.677 5.654 1.00 0.00 C ATOM 317 CD2 PHE A 24 -1.779 7.374 5.336 1.00 0.00 C ATOM 318 CE1 PHE A 24 0.536 6.802 6.724 1.00 0.00 C ATOM 319 CE2 PHE A 24 -1.814 6.499 6.405 1.00 0.00 C ATOM 320 CZ PHE A 24 -0.655 6.212 7.100 1.00 0.00 C ATOM 0 H PHE A 24 -2.589 9.984 4.690 1.00 0.00 H new ATOM 0 HA PHE A 24 0.102 10.551 5.027 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.402 8.716 3.133 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.348 8.740 3.205 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.499 8.136 5.365 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.688 7.594 4.796 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.444 6.580 7.265 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.747 6.040 6.697 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.680 5.528 7.935 1.00 0.00 H new ATOM 330 N GLY A 25 -1.134 11.873 2.355 1.00 0.00 N ATOM 331 CA GLY A 25 -0.834 12.732 1.225 1.00 0.00 C ATOM 332 C GLY A 25 -0.659 11.954 -0.064 1.00 0.00 C ATOM 333 O GLY A 25 0.213 12.268 -0.874 1.00 0.00 O ATOM 0 H GLY A 25 -2.127 11.777 2.568 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.637 13.458 1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.076 13.295 1.432 1.00 0.00 H new ATOM 337 N PHE A 26 -1.489 10.934 -0.255 1.00 0.00 N ATOM 338 CA PHE A 26 -1.421 10.107 -1.454 1.00 0.00 C ATOM 339 C PHE A 26 -2.783 9.497 -1.772 1.00 0.00 C ATOM 340 O PHE A 26 -3.564 9.191 -0.871 1.00 0.00 O ATOM 341 CB PHE A 26 -0.383 8.997 -1.275 1.00 0.00 C ATOM 342 CG PHE A 26 -0.930 7.764 -0.615 1.00 0.00 C ATOM 343 CD1 PHE A 26 -1.870 6.977 -1.261 1.00 0.00 C ATOM 344 CD2 PHE A 26 -0.505 7.392 0.649 1.00 0.00 C ATOM 345 CE1 PHE A 26 -2.376 5.842 -0.656 1.00 0.00 C ATOM 346 CE2 PHE A 26 -1.007 6.258 1.259 1.00 0.00 C ATOM 347 CZ PHE A 26 -1.943 5.481 0.605 1.00 0.00 C ATOM 0 H PHE A 26 -2.217 10.660 0.405 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.123 10.743 -2.287 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.021 8.728 -2.251 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.447 9.379 -0.681 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.211 7.253 -2.248 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.228 7.995 1.165 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.110 5.238 -1.169 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.668 5.980 2.246 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.335 4.593 1.078 1.00 0.00 H new ATOM 357 N SER A 27 -3.061 9.324 -3.060 1.00 0.00 N ATOM 358 CA SER A 27 -4.330 8.755 -3.499 1.00 0.00 C ATOM 359 C SER A 27 -4.105 7.470 -4.289 1.00 0.00 C ATOM 360 O SER A 27 -2.992 7.190 -4.736 1.00 0.00 O ATOM 361 CB SER A 27 -5.098 9.765 -4.354 1.00 0.00 C ATOM 362 OG SER A 27 -6.383 9.274 -4.693 1.00 0.00 O ATOM 0 H SER A 27 -2.424 9.570 -3.818 1.00 0.00 H new ATOM 0 HA SER A 27 -4.919 8.518 -2.613 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.196 10.705 -3.811 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.536 9.979 -5.263 1.00 0.00 H new ATOM 0 HG SER A 27 -6.854 9.939 -5.238 1.00 0.00 H new ATOM 368 N ILE A 28 -5.169 6.692 -4.458 1.00 0.00 N ATOM 369 CA ILE A 28 -5.089 5.437 -5.195 1.00 0.00 C ATOM 370 C ILE A 28 -6.127 5.388 -6.311 1.00 0.00 C ATOM 371 O ILE A 28 -7.010 6.242 -6.389 1.00 0.00 O ATOM 372 CB ILE A 28 -5.292 4.225 -4.267 1.00 0.00 C ATOM 373 CG1 ILE A 28 -6.104 4.629 -3.034 1.00 0.00 C ATOM 374 CG2 ILE A 28 -3.948 3.642 -3.855 1.00 0.00 C ATOM 375 CD1 ILE A 28 -6.693 3.454 -2.287 1.00 0.00 C ATOM 0 H ILE A 28 -6.097 6.909 -4.094 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.090 5.389 -5.628 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.847 3.460 -4.810 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.464 5.196 -2.357 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.910 5.294 -3.342 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.108 2.786 -3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.403 3.322 -4.743 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.369 4.400 -3.327 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.255 3.815 -1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.359 2.899 -2.948 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.890 2.799 -1.948 1.00 0.00 H new ATOM 387 N ARG A 29 -6.014 4.382 -7.173 1.00 0.00 N ATOM 388 CA ARG A 29 -6.943 4.221 -8.285 1.00 0.00 C ATOM 389 C ARG A 29 -7.109 2.748 -8.644 1.00 0.00 C ATOM 390 O ARG A 29 -6.344 1.897 -8.192 1.00 0.00 O ATOM 391 CB ARG A 29 -6.452 5.002 -9.505 1.00 0.00 C ATOM 392 CG ARG A 29 -5.511 4.210 -10.397 1.00 0.00 C ATOM 393 CD ARG A 29 -6.270 3.468 -11.487 1.00 0.00 C ATOM 394 NE ARG A 29 -5.466 3.295 -12.693 1.00 0.00 N ATOM 395 CZ ARG A 29 -5.266 4.256 -13.589 1.00 0.00 C ATOM 396 NH1 ARG A 29 -5.810 5.452 -13.414 1.00 0.00 N ATOM 397 NH2 ARG A 29 -4.522 4.021 -14.661 1.00 0.00 N ATOM 0 H ARG A 29 -5.289 3.667 -7.122 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.912 4.614 -7.977 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.313 5.321 -10.092 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.944 5.905 -9.167 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.785 4.884 -10.852 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.949 3.497 -9.793 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.578 2.491 -11.114 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.179 4.016 -11.733 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.034 2.386 -12.857 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.383 5.636 -12.591 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.655 6.188 -14.103 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.102 3.102 -14.799 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.369 4.760 -15.348 1.00 0.00 H new ATOM 411 N GLY A 30 -8.117 2.453 -9.461 1.00 0.00 N ATOM 412 CA GLY A 30 -8.366 1.082 -9.867 1.00 0.00 C ATOM 413 C GLY A 30 -8.982 0.252 -8.758 1.00 0.00 C ATOM 414 O GLY A 30 -9.389 0.786 -7.727 1.00 0.00 O ATOM 0 H GLY A 30 -8.765 3.139 -9.848 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.030 1.077 -10.732 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.429 0.624 -10.182 1.00 0.00 H new ATOM 418 N GLY A 31 -9.052 -1.058 -8.971 1.00 0.00 N ATOM 419 CA GLY A 31 -9.626 -1.942 -7.973 1.00 0.00 C ATOM 420 C GLY A 31 -10.636 -2.906 -8.564 1.00 0.00 C ATOM 421 O GLY A 31 -11.047 -2.756 -9.715 1.00 0.00 O ATOM 0 H GLY A 31 -8.722 -1.523 -9.817 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.828 -2.507 -7.491 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.108 -1.346 -7.198 1.00 0.00 H new ATOM 425 N ARG A 32 -11.036 -3.898 -7.776 1.00 0.00 N ATOM 426 CA ARG A 32 -12.002 -4.892 -8.230 1.00 0.00 C ATOM 427 C ARG A 32 -13.221 -4.219 -8.855 1.00 0.00 C ATOM 428 O ARG A 32 -13.889 -4.797 -9.712 1.00 0.00 O ATOM 429 CB ARG A 32 -12.439 -5.779 -7.063 1.00 0.00 C ATOM 430 CG ARG A 32 -11.583 -7.024 -6.891 1.00 0.00 C ATOM 431 CD ARG A 32 -11.875 -8.055 -7.970 1.00 0.00 C ATOM 432 NE ARG A 32 -13.034 -8.880 -7.639 1.00 0.00 N ATOM 433 CZ ARG A 32 -13.646 -9.671 -8.512 1.00 0.00 C ATOM 434 NH1 ARG A 32 -13.213 -9.744 -9.763 1.00 0.00 N ATOM 435 NH2 ARG A 32 -14.694 -10.393 -8.135 1.00 0.00 N ATOM 0 H ARG A 32 -10.707 -4.035 -6.820 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.521 -5.510 -8.988 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.407 -5.196 -6.143 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.476 -6.079 -7.214 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.529 -6.749 -6.925 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.767 -7.461 -5.910 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.050 -7.547 -8.919 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.002 -8.694 -8.107 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.393 -8.847 -6.685 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.408 -9.192 -10.057 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.685 -10.353 -10.431 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -15.030 -10.341 -7.173 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.163 -11.000 -8.807 1.00 0.00 H new ATOM 449 N GLU A 33 -13.504 -2.996 -8.419 1.00 0.00 N ATOM 450 CA GLU A 33 -14.643 -2.246 -8.936 1.00 0.00 C ATOM 451 C GLU A 33 -14.492 -1.989 -10.432 1.00 0.00 C ATOM 452 O GLU A 33 -15.472 -2.000 -11.177 1.00 0.00 O ATOM 453 CB GLU A 33 -14.787 -0.917 -8.191 1.00 0.00 C ATOM 454 CG GLU A 33 -16.216 -0.403 -8.135 1.00 0.00 C ATOM 455 CD GLU A 33 -16.288 1.102 -7.964 1.00 0.00 C ATOM 456 OE1 GLU A 33 -15.275 1.779 -8.234 1.00 0.00 O ATOM 457 OE2 GLU A 33 -17.359 1.602 -7.560 1.00 0.00 O ATOM 0 H GLU A 33 -12.961 -2.504 -7.710 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.541 -2.843 -8.777 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.413 -1.038 -7.174 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.159 -0.169 -8.675 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.736 -0.686 -9.050 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -16.739 -0.884 -7.309 1.00 0.00 H new ATOM 464 N TYR A 34 -13.257 -1.757 -10.865 1.00 0.00 N ATOM 465 CA TYR A 34 -12.977 -1.494 -12.271 1.00 0.00 C ATOM 466 C TYR A 34 -12.213 -2.655 -12.901 1.00 0.00 C ATOM 467 O TYR A 34 -11.696 -2.544 -14.013 1.00 0.00 O ATOM 468 CB TYR A 34 -12.175 -0.201 -12.420 1.00 0.00 C ATOM 469 CG TYR A 34 -12.529 0.853 -11.395 1.00 0.00 C ATOM 470 CD1 TYR A 34 -13.609 1.705 -11.592 1.00 0.00 C ATOM 471 CD2 TYR A 34 -11.785 0.997 -10.231 1.00 0.00 C ATOM 472 CE1 TYR A 34 -13.936 2.670 -10.659 1.00 0.00 C ATOM 473 CE2 TYR A 34 -12.106 1.958 -9.292 1.00 0.00 C ATOM 474 CZ TYR A 34 -13.182 2.792 -9.510 1.00 0.00 C ATOM 475 OH TYR A 34 -13.504 3.751 -8.578 1.00 0.00 O ATOM 0 H TYR A 34 -12.434 -1.746 -10.262 1.00 0.00 H new ATOM 0 HA TYR A 34 -13.929 -1.385 -12.790 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.113 -0.431 -12.340 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.339 0.205 -13.418 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.203 1.611 -12.489 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.941 0.346 -10.057 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -14.777 3.325 -10.828 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.517 2.056 -8.392 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.278 3.453 -8.056 1.00 0.00 H new ATOM 485 N LYS A 35 -12.147 -3.771 -12.182 1.00 0.00 N ATOM 486 CA LYS A 35 -11.449 -4.955 -12.668 1.00 0.00 C ATOM 487 C LYS A 35 -10.012 -4.619 -13.054 1.00 0.00 C ATOM 488 O LYS A 35 -9.571 -4.918 -14.163 1.00 0.00 O ATOM 489 CB LYS A 35 -12.185 -5.549 -13.870 1.00 0.00 C ATOM 490 CG LYS A 35 -13.649 -5.852 -13.598 1.00 0.00 C ATOM 491 CD LYS A 35 -14.534 -4.659 -13.917 1.00 0.00 C ATOM 492 CE LYS A 35 -16.005 -5.047 -13.940 1.00 0.00 C ATOM 493 NZ LYS A 35 -16.851 -3.979 -14.540 1.00 0.00 N ATOM 0 H LYS A 35 -12.569 -3.880 -11.260 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.429 -5.690 -11.863 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.116 -4.854 -14.707 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.683 -6.467 -14.175 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.961 -6.708 -14.196 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.776 -6.131 -12.552 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.374 -3.877 -13.174 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.251 -4.243 -14.884 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.128 -5.970 -14.507 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.343 -5.250 -12.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -17.846 -4.282 -14.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.753 -3.105 -13.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.546 -3.803 -15.518 1.00 0.00 H new ATOM 507 N MET A 36 -9.286 -3.997 -12.130 1.00 0.00 N ATOM 508 CA MET A 36 -7.897 -3.624 -12.374 1.00 0.00 C ATOM 509 C MET A 36 -7.131 -3.495 -11.061 1.00 0.00 C ATOM 510 O MET A 36 -7.728 -3.361 -9.993 1.00 0.00 O ATOM 511 CB MET A 36 -7.830 -2.307 -13.149 1.00 0.00 C ATOM 512 CG MET A 36 -8.566 -1.163 -12.470 1.00 0.00 C ATOM 513 SD MET A 36 -8.951 0.185 -13.603 1.00 0.00 S ATOM 514 CE MET A 36 -7.884 1.476 -12.969 1.00 0.00 C ATOM 0 H MET A 36 -9.636 -3.741 -11.207 1.00 0.00 H new ATOM 0 HA MET A 36 -7.433 -4.411 -12.969 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.785 -2.027 -13.283 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.250 -2.459 -14.143 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.490 -1.540 -12.032 1.00 0.00 H new ATOM 0 HG3 MET A 36 -7.958 -0.781 -11.650 1.00 0.00 H new ATOM 0 HE1 MET A 36 -7.474 2.050 -13.800 1.00 0.00 H new ATOM 0 HE2 MET A 36 -8.459 2.137 -12.320 1.00 0.00 H new ATOM 0 HE3 MET A 36 -7.069 1.028 -12.400 1.00 0.00 H new ATOM 524 N ASP A 37 -5.806 -3.536 -11.149 1.00 0.00 N ATOM 525 CA ASP A 37 -4.958 -3.423 -9.968 1.00 0.00 C ATOM 526 C ASP A 37 -5.083 -2.038 -9.339 1.00 0.00 C ATOM 527 O ASP A 37 -5.696 -1.137 -9.914 1.00 0.00 O ATOM 528 CB ASP A 37 -3.498 -3.700 -10.334 1.00 0.00 C ATOM 529 CG ASP A 37 -3.355 -4.845 -11.316 1.00 0.00 C ATOM 530 OD1 ASP A 37 -3.379 -6.013 -10.874 1.00 0.00 O ATOM 531 OD2 ASP A 37 -3.221 -4.574 -12.528 1.00 0.00 O ATOM 0 H ASP A 37 -5.296 -3.647 -12.025 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.290 -4.164 -9.241 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.057 -2.800 -10.763 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.937 -3.930 -9.428 1.00 0.00 H new ATOM 536 N LEU A 38 -4.501 -1.877 -8.156 1.00 0.00 N ATOM 537 CA LEU A 38 -4.548 -0.602 -7.448 1.00 0.00 C ATOM 538 C LEU A 38 -3.274 0.201 -7.688 1.00 0.00 C ATOM 539 O LEU A 38 -2.169 -0.274 -7.423 1.00 0.00 O ATOM 540 CB LEU A 38 -4.743 -0.836 -5.949 1.00 0.00 C ATOM 541 CG LEU A 38 -6.082 -1.447 -5.534 1.00 0.00 C ATOM 542 CD1 LEU A 38 -5.905 -2.344 -4.318 1.00 0.00 C ATOM 543 CD2 LEU A 38 -7.102 -0.355 -5.250 1.00 0.00 C ATOM 0 H LEU A 38 -3.991 -2.613 -7.667 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.393 -0.031 -7.833 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.944 -1.488 -5.596 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.627 0.118 -5.434 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.453 -2.056 -6.358 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.868 -2.770 -4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.209 -3.148 -4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.511 -1.758 -3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.049 -0.809 -4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.739 0.281 -4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.251 0.246 -6.147 1.00 0.00 H new ATOM 555 N TYR A 39 -3.435 1.422 -8.187 1.00 0.00 N ATOM 556 CA TYR A 39 -2.298 2.292 -8.462 1.00 0.00 C ATOM 557 C TYR A 39 -2.447 3.628 -7.740 1.00 0.00 C ATOM 558 O TYR A 39 -3.535 3.984 -7.287 1.00 0.00 O ATOM 559 CB TYR A 39 -2.160 2.525 -9.967 1.00 0.00 C ATOM 560 CG TYR A 39 -2.399 1.284 -10.797 1.00 0.00 C ATOM 561 CD1 TYR A 39 -3.685 0.805 -11.011 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.338 0.589 -11.365 1.00 0.00 C ATOM 563 CE1 TYR A 39 -3.909 -0.329 -11.767 1.00 0.00 C ATOM 564 CE2 TYR A 39 -1.552 -0.545 -12.124 1.00 0.00 C ATOM 565 CZ TYR A 39 -2.839 -1.000 -12.322 1.00 0.00 C ATOM 566 OH TYR A 39 -3.056 -2.130 -13.077 1.00 0.00 O ATOM 0 H TYR A 39 -4.342 1.831 -8.409 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.398 1.799 -8.094 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.866 3.298 -10.273 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.160 2.905 -10.177 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.525 1.329 -10.579 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.329 0.942 -11.210 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.916 -0.688 -11.923 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.716 -1.072 -12.560 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.687 -2.910 -12.612 1.00 0.00 H new ATOM 576 N VAL A 40 -1.345 4.364 -7.638 1.00 0.00 N ATOM 577 CA VAL A 40 -1.351 5.662 -6.973 1.00 0.00 C ATOM 578 C VAL A 40 -1.917 6.743 -7.887 1.00 0.00 C ATOM 579 O VAL A 40 -1.226 7.247 -8.773 1.00 0.00 O ATOM 580 CB VAL A 40 0.065 6.071 -6.527 1.00 0.00 C ATOM 581 CG1 VAL A 40 0.046 7.452 -5.890 1.00 0.00 C ATOM 582 CG2 VAL A 40 0.639 5.039 -5.568 1.00 0.00 C ATOM 0 H VAL A 40 -0.436 4.084 -8.007 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.986 5.565 -6.093 1.00 0.00 H new ATOM 0 HB VAL A 40 0.707 6.113 -7.407 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.055 7.724 -5.581 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.321 8.181 -6.612 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.610 7.442 -5.019 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.640 5.343 -5.263 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.001 4.963 -4.689 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.690 4.070 -6.064 1.00 0.00 H new ATOM 592 N LEU A 41 -3.178 7.097 -7.665 1.00 0.00 N ATOM 593 CA LEU A 41 -3.838 8.121 -8.467 1.00 0.00 C ATOM 594 C LEU A 41 -2.970 9.371 -8.576 1.00 0.00 C ATOM 595 O LEU A 41 -2.485 9.710 -9.655 1.00 0.00 O ATOM 596 CB LEU A 41 -5.194 8.480 -7.857 1.00 0.00 C ATOM 597 CG LEU A 41 -6.172 9.211 -8.778 1.00 0.00 C ATOM 598 CD1 LEU A 41 -5.515 10.442 -9.383 1.00 0.00 C ATOM 599 CD2 LEU A 41 -6.673 8.279 -9.872 1.00 0.00 C ATOM 0 H LEU A 41 -3.764 6.690 -6.936 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.992 7.719 -9.468 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.669 7.562 -7.511 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.021 9.100 -6.978 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.027 9.535 -8.185 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.225 10.950 -10.036 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.207 11.119 -8.586 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.642 10.141 -9.962 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.368 8.816 -10.518 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.828 7.925 -10.463 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.182 7.428 -9.420 1.00 0.00 H new ATOM 611 N ARG A 42 -2.778 10.051 -7.450 1.00 0.00 N ATOM 612 CA ARG A 42 -1.967 11.263 -7.419 1.00 0.00 C ATOM 613 C ARG A 42 -1.343 11.464 -6.041 1.00 0.00 C ATOM 614 O ARG A 42 -1.917 11.070 -5.025 1.00 0.00 O ATOM 615 CB ARG A 42 -2.818 12.480 -7.788 1.00 0.00 C ATOM 616 CG ARG A 42 -2.360 13.767 -7.122 1.00 0.00 C ATOM 617 CD ARG A 42 -3.008 13.949 -5.758 1.00 0.00 C ATOM 618 NE ARG A 42 -4.442 14.202 -5.862 1.00 0.00 N ATOM 619 CZ ARG A 42 -5.158 14.781 -4.905 1.00 0.00 C ATOM 620 NH1 ARG A 42 -4.575 15.165 -3.777 1.00 0.00 N ATOM 621 NH2 ARG A 42 -6.459 14.978 -5.074 1.00 0.00 N ATOM 0 H ARG A 42 -3.172 9.784 -6.548 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.165 11.153 -8.149 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.797 12.613 -8.870 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.854 12.286 -7.511 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.276 13.755 -7.012 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.607 14.616 -7.760 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.840 13.056 -5.155 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.530 14.779 -5.238 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.920 13.918 -6.717 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.575 15.016 -3.643 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.127 15.610 -3.043 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.911 14.685 -5.940 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.007 15.423 -4.338 1.00 0.00 H new ATOM 635 N LEU A 43 -0.166 12.079 -6.015 1.00 0.00 N ATOM 636 CA LEU A 43 0.537 12.332 -4.762 1.00 0.00 C ATOM 637 C LEU A 43 0.303 13.762 -4.286 1.00 0.00 C ATOM 638 O LEU A 43 0.085 14.667 -5.091 1.00 0.00 O ATOM 639 CB LEU A 43 2.036 12.079 -4.935 1.00 0.00 C ATOM 640 CG LEU A 43 2.524 10.674 -4.584 1.00 0.00 C ATOM 641 CD1 LEU A 43 4.023 10.557 -4.813 1.00 0.00 C ATOM 642 CD2 LEU A 43 2.174 10.332 -3.143 1.00 0.00 C ATOM 0 H LEU A 43 0.322 12.412 -6.847 1.00 0.00 H new ATOM 0 HA LEU A 43 0.144 11.649 -4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.302 12.286 -5.972 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.579 12.795 -4.318 1.00 0.00 H new ATOM 0 HG LEU A 43 2.021 9.961 -5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.353 9.550 -4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.248 10.758 -5.860 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.544 11.279 -4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.529 9.328 -2.911 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.649 11.049 -2.473 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.093 10.374 -3.011 1.00 0.00 H new ATOM 654 N ALA A 44 0.351 13.958 -2.972 1.00 0.00 N ATOM 655 CA ALA A 44 0.148 15.279 -2.389 1.00 0.00 C ATOM 656 C ALA A 44 1.472 16.019 -2.232 1.00 0.00 C ATOM 657 O ALA A 44 2.326 15.619 -1.442 1.00 0.00 O ATOM 658 CB ALA A 44 -0.555 15.160 -1.045 1.00 0.00 C ATOM 0 H ALA A 44 0.529 13.219 -2.292 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.482 15.855 -3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.700 16.154 -0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.523 14.679 -1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.054 14.562 -0.367 1.00 0.00 H new ATOM 664 N GLU A 45 1.635 17.099 -2.991 1.00 0.00 N ATOM 665 CA GLU A 45 2.857 17.893 -2.936 1.00 0.00 C ATOM 666 C GLU A 45 3.104 18.413 -1.523 1.00 0.00 C ATOM 667 O GLU A 45 4.244 18.674 -1.137 1.00 0.00 O ATOM 668 CB GLU A 45 2.773 19.065 -3.915 1.00 0.00 C ATOM 669 CG GLU A 45 1.721 20.096 -3.542 1.00 0.00 C ATOM 670 CD GLU A 45 1.782 21.334 -4.416 1.00 0.00 C ATOM 671 OE1 GLU A 45 1.783 21.187 -5.656 1.00 0.00 O ATOM 672 OE2 GLU A 45 1.830 22.451 -3.858 1.00 0.00 O ATOM 0 H GLU A 45 0.937 17.443 -3.650 1.00 0.00 H new ATOM 0 HA GLU A 45 3.691 17.251 -3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.746 19.554 -3.968 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.555 18.680 -4.911 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.732 19.646 -3.624 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.854 20.385 -2.499 1.00 0.00 H new ATOM 679 N ASP A 46 2.030 18.560 -0.756 1.00 0.00 N ATOM 680 CA ASP A 46 2.129 19.047 0.615 1.00 0.00 C ATOM 681 C ASP A 46 1.889 17.919 1.612 1.00 0.00 C ATOM 682 O ASP A 46 1.467 18.156 2.743 1.00 0.00 O ATOM 683 CB ASP A 46 1.125 20.176 0.851 1.00 0.00 C ATOM 684 CG ASP A 46 -0.267 19.659 1.157 1.00 0.00 C ATOM 685 OD1 ASP A 46 -0.869 19.018 0.271 1.00 0.00 O ATOM 686 OD2 ASP A 46 -0.754 19.895 2.283 1.00 0.00 O ATOM 0 H ASP A 46 1.080 18.349 -1.060 1.00 0.00 H new ATOM 0 HA ASP A 46 3.138 19.431 0.766 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.469 20.797 1.678 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.086 20.814 -0.032 1.00 0.00 H new ATOM 691 N GLY A 47 2.159 16.689 1.184 1.00 0.00 N ATOM 692 CA GLY A 47 1.965 15.542 2.051 1.00 0.00 C ATOM 693 C GLY A 47 3.266 14.842 2.388 1.00 0.00 C ATOM 694 O GLY A 47 4.290 15.042 1.734 1.00 0.00 O ATOM 0 H GLY A 47 2.509 16.467 0.252 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.481 15.865 2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.291 14.835 1.568 1.00 0.00 H new ATOM 698 N PRO A 48 3.238 14.001 3.432 1.00 0.00 N ATOM 699 CA PRO A 48 4.417 13.253 3.878 1.00 0.00 C ATOM 700 C PRO A 48 4.823 12.166 2.889 1.00 0.00 C ATOM 701 O PRO A 48 5.972 11.727 2.873 1.00 0.00 O ATOM 702 CB PRO A 48 3.962 12.629 5.200 1.00 0.00 C ATOM 703 CG PRO A 48 2.480 12.533 5.083 1.00 0.00 C ATOM 704 CD PRO A 48 2.052 13.715 4.257 1.00 0.00 C ATOM 0 HA PRO A 48 5.294 13.894 3.972 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.412 11.647 5.350 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.253 13.246 6.050 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.186 11.597 4.607 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.009 12.553 6.066 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.182 13.482 3.643 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.783 14.566 4.882 1.00 0.00 H new ATOM 712 N ALA A 49 3.873 11.738 2.064 1.00 0.00 N ATOM 713 CA ALA A 49 4.133 10.705 1.070 1.00 0.00 C ATOM 714 C ALA A 49 5.116 11.196 0.012 1.00 0.00 C ATOM 715 O ALA A 49 6.174 10.599 -0.190 1.00 0.00 O ATOM 716 CB ALA A 49 2.832 10.259 0.418 1.00 0.00 C ATOM 0 H ALA A 49 2.916 12.091 2.065 1.00 0.00 H new ATOM 0 HA ALA A 49 4.582 9.852 1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.042 9.487 -0.322 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.162 9.859 1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.359 11.111 -0.070 1.00 0.00 H new ATOM 722 N ILE A 50 4.759 12.285 -0.660 1.00 0.00 N ATOM 723 CA ILE A 50 5.610 12.855 -1.697 1.00 0.00 C ATOM 724 C ILE A 50 7.024 13.093 -1.178 1.00 0.00 C ATOM 725 O ILE A 50 7.957 13.292 -1.957 1.00 0.00 O ATOM 726 CB ILE A 50 5.039 14.185 -2.225 1.00 0.00 C ATOM 727 CG1 ILE A 50 5.565 14.466 -3.634 1.00 0.00 C ATOM 728 CG2 ILE A 50 5.395 15.325 -1.284 1.00 0.00 C ATOM 729 CD1 ILE A 50 4.705 15.432 -4.419 1.00 0.00 C ATOM 0 H ILE A 50 3.887 12.790 -0.505 1.00 0.00 H new ATOM 0 HA ILE A 50 5.641 12.132 -2.513 1.00 0.00 H new ATOM 0 HB ILE A 50 3.953 14.105 -2.272 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.576 14.868 -3.562 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.634 13.526 -4.182 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.985 16.258 -1.671 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.977 15.126 -0.297 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.479 15.409 -1.208 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.138 15.584 -5.408 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.700 15.023 -4.522 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.656 16.386 -3.893 1.00 0.00 H new ATOM 741 N ARG A 51 7.176 13.068 0.142 1.00 0.00 N ATOM 742 CA ARG A 51 8.477 13.280 0.765 1.00 0.00 C ATOM 743 C ARG A 51 9.196 11.953 0.988 1.00 0.00 C ATOM 744 O ARG A 51 10.424 11.900 1.029 1.00 0.00 O ATOM 745 CB ARG A 51 8.315 14.014 2.098 1.00 0.00 C ATOM 746 CG ARG A 51 7.947 15.481 1.944 1.00 0.00 C ATOM 747 CD ARG A 51 7.340 16.040 3.221 1.00 0.00 C ATOM 748 NE ARG A 51 7.146 17.485 3.148 1.00 0.00 N ATOM 749 CZ ARG A 51 6.870 18.244 4.203 1.00 0.00 C ATOM 750 NH1 ARG A 51 6.757 17.698 5.406 1.00 0.00 N ATOM 751 NH2 ARG A 51 6.706 19.553 4.056 1.00 0.00 N ATOM 0 H ARG A 51 6.415 12.903 0.800 1.00 0.00 H new ATOM 0 HA ARG A 51 9.078 13.891 0.092 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.545 13.515 2.687 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.246 13.939 2.660 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.836 16.055 1.681 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.239 15.595 1.123 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.382 15.555 3.410 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.989 15.804 4.064 1.00 0.00 H new ATOM 0 HE ARG A 51 7.227 17.937 2.237 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.882 16.693 5.524 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.545 18.283 6.214 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.792 19.977 3.132 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.494 20.135 4.867 1.00 0.00 H new ATOM 765 N ASN A 52 8.421 10.883 1.132 1.00 0.00 N ATOM 766 CA ASN A 52 8.983 9.555 1.351 1.00 0.00 C ATOM 767 C ASN A 52 9.847 9.128 0.169 1.00 0.00 C ATOM 768 O ASN A 52 11.041 8.873 0.319 1.00 0.00 O ATOM 769 CB ASN A 52 7.865 8.535 1.575 1.00 0.00 C ATOM 770 CG ASN A 52 8.177 7.189 0.950 1.00 0.00 C ATOM 771 OD1 ASN A 52 9.209 6.583 1.236 1.00 0.00 O ATOM 772 ND2 ASN A 52 7.283 6.715 0.090 1.00 0.00 N ATOM 0 H ASN A 52 7.402 10.910 1.101 1.00 0.00 H new ATOM 0 HA ASN A 52 9.611 9.596 2.241 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.703 8.407 2.645 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.936 8.921 1.156 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.439 5.814 -0.363 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.441 7.252 -0.118 1.00 0.00 H new ATOM 779 N GLY A 53 9.234 9.053 -1.009 1.00 0.00 N ATOM 780 CA GLY A 53 9.962 8.657 -2.200 1.00 0.00 C ATOM 781 C GLY A 53 9.731 7.204 -2.565 1.00 0.00 C ATOM 782 O GLY A 53 9.345 6.894 -3.692 1.00 0.00 O ATOM 0 H GLY A 53 8.246 9.259 -1.159 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.660 9.290 -3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.028 8.824 -2.043 1.00 0.00 H new ATOM 786 N ARG A 54 9.969 6.310 -1.610 1.00 0.00 N ATOM 787 CA ARG A 54 9.786 4.882 -1.838 1.00 0.00 C ATOM 788 C ARG A 54 8.584 4.624 -2.741 1.00 0.00 C ATOM 789 O ARG A 54 8.555 3.648 -3.489 1.00 0.00 O ATOM 790 CB ARG A 54 9.604 4.151 -0.507 1.00 0.00 C ATOM 791 CG ARG A 54 10.867 4.098 0.337 1.00 0.00 C ATOM 792 CD ARG A 54 11.824 3.025 -0.158 1.00 0.00 C ATOM 793 NE ARG A 54 13.192 3.261 0.294 1.00 0.00 N ATOM 794 CZ ARG A 54 14.248 2.620 -0.195 1.00 0.00 C ATOM 795 NH1 ARG A 54 14.094 1.710 -1.146 1.00 0.00 N ATOM 796 NH2 ARG A 54 15.462 2.891 0.268 1.00 0.00 N ATOM 0 H ARG A 54 10.289 6.550 -0.672 1.00 0.00 H new ATOM 0 HA ARG A 54 10.679 4.502 -2.335 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.816 4.643 0.063 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.266 3.134 -0.704 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.363 5.068 0.313 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.603 3.901 1.376 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.489 2.050 0.195 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.802 2.995 -1.247 1.00 0.00 H new ATOM 0 HE ARG A 54 13.345 3.956 1.025 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.163 1.500 -1.505 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.907 1.220 -1.519 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.584 3.591 0.999 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.273 2.399 -0.107 1.00 0.00 H new ATOM 810 N MET A 55 7.593 5.507 -2.664 1.00 0.00 N ATOM 811 CA MET A 55 6.388 5.375 -3.475 1.00 0.00 C ATOM 812 C MET A 55 6.083 6.676 -4.211 1.00 0.00 C ATOM 813 O MET A 55 6.296 7.765 -3.679 1.00 0.00 O ATOM 814 CB MET A 55 5.198 4.980 -2.599 1.00 0.00 C ATOM 815 CG MET A 55 4.488 6.167 -1.968 1.00 0.00 C ATOM 816 SD MET A 55 2.897 5.721 -1.246 1.00 0.00 S ATOM 817 CE MET A 55 1.773 6.566 -2.355 1.00 0.00 C ATOM 0 H MET A 55 7.601 6.321 -2.049 1.00 0.00 H new ATOM 0 HA MET A 55 6.561 4.592 -4.213 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.484 4.418 -3.202 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.544 4.312 -1.810 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.125 6.598 -1.196 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.337 6.938 -2.723 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.781 6.121 -2.276 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.720 7.621 -2.085 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.133 6.471 -3.380 1.00 0.00 H new ATOM 827 N ARG A 56 5.584 6.554 -5.437 1.00 0.00 N ATOM 828 CA ARG A 56 5.251 7.721 -6.246 1.00 0.00 C ATOM 829 C ARG A 56 3.966 7.487 -7.033 1.00 0.00 C ATOM 830 O ARG A 56 3.437 6.376 -7.064 1.00 0.00 O ATOM 831 CB ARG A 56 6.398 8.046 -7.205 1.00 0.00 C ATOM 832 CG ARG A 56 7.388 9.058 -6.650 1.00 0.00 C ATOM 833 CD ARG A 56 8.455 8.385 -5.802 1.00 0.00 C ATOM 834 NE ARG A 56 9.724 9.107 -5.844 1.00 0.00 N ATOM 835 CZ ARG A 56 9.920 10.282 -5.257 1.00 0.00 C ATOM 836 NH1 ARG A 56 8.936 10.864 -4.586 1.00 0.00 N ATOM 837 NH2 ARG A 56 11.103 10.877 -5.340 1.00 0.00 N ATOM 0 H ARG A 56 5.401 5.659 -5.892 1.00 0.00 H new ATOM 0 HA ARG A 56 5.097 8.566 -5.575 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.929 7.126 -7.447 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.983 8.430 -8.137 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.860 9.595 -7.472 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.857 9.797 -6.050 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.110 8.319 -4.770 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.607 7.364 -6.153 1.00 0.00 H new ATOM 0 HE ARG A 56 10.502 8.686 -6.352 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.025 10.409 -4.520 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.090 11.766 -4.136 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.863 10.432 -5.855 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.253 11.779 -4.889 1.00 0.00 H new ATOM 851 N VAL A 57 3.467 8.543 -7.669 1.00 0.00 N ATOM 852 CA VAL A 57 2.244 8.454 -8.457 1.00 0.00 C ATOM 853 C VAL A 57 2.510 7.812 -9.814 1.00 0.00 C ATOM 854 O VAL A 57 3.331 8.296 -10.591 1.00 0.00 O ATOM 855 CB VAL A 57 1.612 9.842 -8.673 1.00 0.00 C ATOM 856 CG1 VAL A 57 2.687 10.918 -8.706 1.00 0.00 C ATOM 857 CG2 VAL A 57 0.789 9.859 -9.951 1.00 0.00 C ATOM 0 H VAL A 57 3.892 9.470 -7.653 1.00 0.00 H new ATOM 0 HA VAL A 57 1.550 7.831 -7.893 1.00 0.00 H new ATOM 0 HB VAL A 57 0.946 10.053 -7.837 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.222 11.892 -8.859 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.229 10.920 -7.761 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.381 10.714 -9.522 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.350 10.847 -10.088 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.431 9.627 -10.800 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.005 9.115 -9.882 1.00 0.00 H new ATOM 867 N GLY A 58 1.808 6.718 -10.093 1.00 0.00 N ATOM 868 CA GLY A 58 1.982 6.027 -11.357 1.00 0.00 C ATOM 869 C GLY A 58 2.495 4.612 -11.179 1.00 0.00 C ATOM 870 O GLY A 58 2.713 3.896 -12.156 1.00 0.00 O ATOM 0 H GLY A 58 1.122 6.298 -9.466 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.030 6.001 -11.887 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.679 6.587 -11.981 1.00 0.00 H new ATOM 874 N ASP A 59 2.689 4.208 -9.928 1.00 0.00 N ATOM 875 CA ASP A 59 3.180 2.869 -9.625 1.00 0.00 C ATOM 876 C ASP A 59 2.023 1.888 -9.471 1.00 0.00 C ATOM 877 O ASP A 59 0.861 2.250 -9.657 1.00 0.00 O ATOM 878 CB ASP A 59 4.021 2.888 -8.347 1.00 0.00 C ATOM 879 CG ASP A 59 5.284 3.714 -8.498 1.00 0.00 C ATOM 880 OD1 ASP A 59 5.175 4.904 -8.862 1.00 0.00 O ATOM 881 OD2 ASP A 59 6.380 3.171 -8.250 1.00 0.00 O ATOM 0 H ASP A 59 2.514 4.789 -9.108 1.00 0.00 H new ATOM 0 HA ASP A 59 3.803 2.541 -10.457 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.424 3.289 -7.528 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.288 1.867 -8.076 1.00 0.00 H new ATOM 886 N GLN A 60 2.348 0.644 -9.132 1.00 0.00 N ATOM 887 CA GLN A 60 1.335 -0.389 -8.956 1.00 0.00 C ATOM 888 C GLN A 60 1.422 -1.005 -7.564 1.00 0.00 C ATOM 889 O GLN A 60 2.428 -1.620 -7.209 1.00 0.00 O ATOM 890 CB GLN A 60 1.496 -1.477 -10.019 1.00 0.00 C ATOM 891 CG GLN A 60 0.281 -2.381 -10.154 1.00 0.00 C ATOM 892 CD GLN A 60 0.286 -3.518 -9.152 1.00 0.00 C ATOM 893 OE1 GLN A 60 1.117 -4.423 -9.227 1.00 0.00 O ATOM 894 NE2 GLN A 60 -0.646 -3.478 -8.206 1.00 0.00 N ATOM 0 H GLN A 60 3.305 0.328 -8.974 1.00 0.00 H new ATOM 0 HA GLN A 60 0.355 0.076 -9.067 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.697 -1.006 -10.981 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.366 -2.086 -9.775 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.624 -1.789 -10.021 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.248 -2.791 -11.163 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.315 -2.709 -8.182 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.692 -4.217 -7.504 1.00 0.00 H new ATOM 903 N ILE A 61 0.363 -0.836 -6.780 1.00 0.00 N ATOM 904 CA ILE A 61 0.320 -1.377 -5.427 1.00 0.00 C ATOM 905 C ILE A 61 -0.187 -2.815 -5.425 1.00 0.00 C ATOM 906 O ILE A 61 -1.297 -3.093 -5.878 1.00 0.00 O ATOM 907 CB ILE A 61 -0.579 -0.527 -4.509 1.00 0.00 C ATOM 908 CG1 ILE A 61 -0.297 0.962 -4.721 1.00 0.00 C ATOM 909 CG2 ILE A 61 -0.363 -0.911 -3.053 1.00 0.00 C ATOM 910 CD1 ILE A 61 -1.473 1.853 -4.386 1.00 0.00 C ATOM 0 H ILE A 61 -0.477 -0.329 -7.058 1.00 0.00 H new ATOM 0 HA ILE A 61 1.341 -1.354 -5.046 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.621 -0.720 -4.764 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.556 1.253 -4.107 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.012 1.125 -5.760 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.005 -0.302 -2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.608 -1.964 -2.914 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.680 -0.743 -2.783 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.202 2.894 -4.560 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.321 1.589 -5.018 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.745 1.719 -3.339 1.00 0.00 H new ATOM 922 N ILE A 62 0.634 -3.725 -4.911 1.00 0.00 N ATOM 923 CA ILE A 62 0.268 -5.134 -4.848 1.00 0.00 C ATOM 924 C ILE A 62 -0.102 -5.542 -3.426 1.00 0.00 C ATOM 925 O ILE A 62 -0.775 -6.551 -3.215 1.00 0.00 O ATOM 926 CB ILE A 62 1.412 -6.036 -5.347 1.00 0.00 C ATOM 927 CG1 ILE A 62 2.764 -5.362 -5.106 1.00 0.00 C ATOM 928 CG2 ILE A 62 1.229 -6.356 -6.823 1.00 0.00 C ATOM 929 CD1 ILE A 62 3.126 -4.340 -6.161 1.00 0.00 C ATOM 0 H ILE A 62 1.557 -3.511 -4.532 1.00 0.00 H new ATOM 0 HA ILE A 62 -0.597 -5.265 -5.498 1.00 0.00 H new ATOM 0 HB ILE A 62 1.388 -6.971 -4.787 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.750 -4.876 -4.130 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.541 -6.126 -5.070 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.045 -6.994 -7.161 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.280 -6.873 -6.968 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.230 -5.430 -7.399 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.096 -3.903 -5.926 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.173 -4.825 -7.136 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.370 -3.555 -6.182 1.00 0.00 H new ATOM 941 N GLU A 63 0.340 -4.750 -2.454 1.00 0.00 N ATOM 942 CA GLU A 63 0.054 -5.030 -1.052 1.00 0.00 C ATOM 943 C GLU A 63 -0.340 -3.754 -0.313 1.00 0.00 C ATOM 944 O GLU A 63 0.025 -2.651 -0.720 1.00 0.00 O ATOM 945 CB GLU A 63 1.270 -5.668 -0.378 1.00 0.00 C ATOM 946 CG GLU A 63 0.927 -6.456 0.876 1.00 0.00 C ATOM 947 CD GLU A 63 0.435 -7.856 0.568 1.00 0.00 C ATOM 948 OE1 GLU A 63 0.703 -8.348 -0.548 1.00 0.00 O ATOM 949 OE2 GLU A 63 -0.219 -8.461 1.444 1.00 0.00 O ATOM 0 H GLU A 63 0.897 -3.910 -2.612 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.783 -5.727 -1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.764 -6.330 -1.089 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.985 -4.886 -0.122 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.808 -6.517 1.515 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.162 -5.921 1.439 1.00 0.00 H new ATOM 956 N ILE A 64 -1.087 -3.914 0.774 1.00 0.00 N ATOM 957 CA ILE A 64 -1.530 -2.776 1.570 1.00 0.00 C ATOM 958 C ILE A 64 -1.638 -3.146 3.046 1.00 0.00 C ATOM 959 O ILE A 64 -2.459 -3.978 3.429 1.00 0.00 O ATOM 960 CB ILE A 64 -2.893 -2.246 1.085 1.00 0.00 C ATOM 961 CG1 ILE A 64 -2.774 -1.699 -0.339 1.00 0.00 C ATOM 962 CG2 ILE A 64 -3.410 -1.171 2.029 1.00 0.00 C ATOM 963 CD1 ILE A 64 -4.083 -1.196 -0.905 1.00 0.00 C ATOM 0 H ILE A 64 -1.398 -4.820 1.124 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.780 -1.994 1.447 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.606 -3.071 1.080 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.048 -0.886 -0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.384 -2.482 -0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.374 -0.807 1.673 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.527 -1.590 3.028 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.700 -0.345 2.063 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.923 -0.823 -1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.806 -2.011 -0.929 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.465 -0.390 -0.278 1.00 0.00 H new ATOM 975 N ASN A 65 -0.803 -2.521 3.869 1.00 0.00 N ATOM 976 CA ASN A 65 -0.804 -2.783 5.304 1.00 0.00 C ATOM 977 C ASN A 65 -0.743 -4.282 5.583 1.00 0.00 C ATOM 978 O ASN A 65 -1.509 -4.806 6.390 1.00 0.00 O ATOM 979 CB ASN A 65 -2.054 -2.183 5.952 1.00 0.00 C ATOM 980 CG ASN A 65 -1.835 -0.757 6.418 1.00 0.00 C ATOM 981 OD1 ASN A 65 -0.702 -0.336 6.653 1.00 0.00 O ATOM 982 ND2 ASN A 65 -2.922 -0.006 6.556 1.00 0.00 N ATOM 0 H ASN A 65 -0.117 -1.829 3.567 1.00 0.00 H new ATOM 0 HA ASN A 65 0.081 -2.315 5.735 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.877 -2.207 5.238 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.351 -2.798 6.801 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.837 0.961 6.868 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.841 -0.397 6.350 1.00 0.00 H new ATOM 989 N GLY A 66 0.176 -4.967 4.908 1.00 0.00 N ATOM 990 CA GLY A 66 0.321 -6.399 5.097 1.00 0.00 C ATOM 991 C GLY A 66 -0.963 -7.154 4.813 1.00 0.00 C ATOM 992 O GLY A 66 -1.191 -8.231 5.363 1.00 0.00 O ATOM 0 H GLY A 66 0.822 -4.556 4.234 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.110 -6.771 4.443 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.637 -6.597 6.121 1.00 0.00 H new ATOM 996 N GLU A 67 -1.803 -6.588 3.953 1.00 0.00 N ATOM 997 CA GLU A 67 -3.071 -7.215 3.599 1.00 0.00 C ATOM 998 C GLU A 67 -3.144 -7.488 2.100 1.00 0.00 C ATOM 999 O GLU A 67 -3.377 -6.579 1.303 1.00 0.00 O ATOM 1000 CB GLU A 67 -4.241 -6.325 4.024 1.00 0.00 C ATOM 1001 CG GLU A 67 -4.112 -5.783 5.438 1.00 0.00 C ATOM 1002 CD GLU A 67 -5.450 -5.397 6.039 1.00 0.00 C ATOM 1003 OE1 GLU A 67 -6.489 -5.841 5.507 1.00 0.00 O ATOM 1004 OE2 GLU A 67 -5.458 -4.652 7.040 1.00 0.00 O ATOM 0 H GLU A 67 -1.629 -5.697 3.489 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.136 -8.166 4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.321 -5.489 3.329 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.167 -6.895 3.945 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.638 -6.534 6.069 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.456 -4.912 5.431 1.00 0.00 H new ATOM 1011 N SER A 68 -2.942 -8.746 1.723 1.00 0.00 N ATOM 1012 CA SER A 68 -2.980 -9.140 0.319 1.00 0.00 C ATOM 1013 C SER A 68 -4.075 -8.384 -0.427 1.00 0.00 C ATOM 1014 O SER A 68 -5.265 -8.628 -0.222 1.00 0.00 O ATOM 1015 CB SER A 68 -3.209 -10.647 0.196 1.00 0.00 C ATOM 1016 OG SER A 68 -2.173 -11.374 0.834 1.00 0.00 O ATOM 0 H SER A 68 -2.750 -9.511 2.370 1.00 0.00 H new ATOM 0 HA SER A 68 -2.019 -8.889 -0.130 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.169 -10.910 0.641 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.258 -10.926 -0.857 1.00 0.00 H new ATOM 0 HG SER A 68 -2.049 -12.234 0.380 1.00 0.00 H new ATOM 1022 N THR A 69 -3.665 -7.465 -1.295 1.00 0.00 N ATOM 1023 CA THR A 69 -4.610 -6.673 -2.072 1.00 0.00 C ATOM 1024 C THR A 69 -5.215 -7.493 -3.206 1.00 0.00 C ATOM 1025 O THR A 69 -5.154 -7.100 -4.371 1.00 0.00 O ATOM 1026 CB THR A 69 -3.939 -5.418 -2.663 1.00 0.00 C ATOM 1027 OG1 THR A 69 -3.083 -5.787 -3.751 1.00 0.00 O ATOM 1028 CG2 THR A 69 -3.131 -4.686 -1.602 1.00 0.00 C ATOM 0 H THR A 69 -2.685 -7.251 -1.478 1.00 0.00 H new ATOM 0 HA THR A 69 -5.401 -6.366 -1.388 1.00 0.00 H new ATOM 0 HB THR A 69 -4.721 -4.751 -3.026 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.382 -6.390 -3.426 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.667 -3.804 -2.043 1.00 0.00 H new ATOM 0 HG22 THR A 69 -3.790 -4.382 -0.789 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.357 -5.348 -1.213 1.00 0.00 H new ATOM 1036 N ARG A 70 -5.798 -8.635 -2.857 1.00 0.00 N ATOM 1037 CA ARG A 70 -6.414 -9.512 -3.846 1.00 0.00 C ATOM 1038 C ARG A 70 -7.935 -9.468 -3.740 1.00 0.00 C ATOM 1039 O ARG A 70 -8.493 -9.522 -2.643 1.00 0.00 O ATOM 1040 CB ARG A 70 -5.920 -10.948 -3.664 1.00 0.00 C ATOM 1041 CG ARG A 70 -5.945 -11.421 -2.220 1.00 0.00 C ATOM 1042 CD ARG A 70 -6.076 -12.934 -2.131 1.00 0.00 C ATOM 1043 NE ARG A 70 -4.774 -13.596 -2.112 1.00 0.00 N ATOM 1044 CZ ARG A 70 -4.032 -13.724 -1.018 1.00 0.00 C ATOM 1045 NH1 ARG A 70 -4.460 -13.240 0.139 1.00 0.00 N ATOM 1046 NH2 ARG A 70 -2.858 -14.340 -1.081 1.00 0.00 N ATOM 0 H ARG A 70 -5.857 -8.975 -1.897 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.126 -9.159 -4.836 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.537 -11.615 -4.267 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.902 -11.024 -4.045 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.032 -11.104 -1.716 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.778 -10.951 -1.697 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.630 -13.198 -1.230 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.656 -13.298 -2.979 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.415 -13.981 -2.986 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.362 -12.767 0.192 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.887 -13.340 0.977 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.526 -14.715 -1.970 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.288 -14.438 -0.241 1.00 0.00 H new ATOM 1060 N ASP A 71 -8.601 -9.368 -4.885 1.00 0.00 N ATOM 1061 CA ASP A 71 -10.058 -9.317 -4.921 1.00 0.00 C ATOM 1062 C ASP A 71 -10.584 -8.186 -4.043 1.00 0.00 C ATOM 1063 O ASP A 71 -11.645 -8.305 -3.431 1.00 0.00 O ATOM 1064 CB ASP A 71 -10.647 -10.652 -4.463 1.00 0.00 C ATOM 1065 CG ASP A 71 -9.879 -11.841 -5.005 1.00 0.00 C ATOM 1066 OD1 ASP A 71 -9.600 -11.862 -6.222 1.00 0.00 O ATOM 1067 OD2 ASP A 71 -9.557 -12.751 -4.213 1.00 0.00 O ATOM 0 H ASP A 71 -8.155 -9.321 -5.801 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.366 -9.127 -5.949 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -10.648 -10.690 -3.374 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.686 -10.717 -4.786 1.00 0.00 H new ATOM 1072 N MET A 72 -9.834 -7.090 -3.985 1.00 0.00 N ATOM 1073 CA MET A 72 -10.226 -5.938 -3.182 1.00 0.00 C ATOM 1074 C MET A 72 -10.730 -4.804 -4.068 1.00 0.00 C ATOM 1075 O MET A 72 -10.292 -4.651 -5.209 1.00 0.00 O ATOM 1076 CB MET A 72 -9.046 -5.455 -2.336 1.00 0.00 C ATOM 1077 CG MET A 72 -8.322 -6.575 -1.606 1.00 0.00 C ATOM 1078 SD MET A 72 -7.592 -6.032 -0.050 1.00 0.00 S ATOM 1079 CE MET A 72 -6.853 -4.478 -0.547 1.00 0.00 C ATOM 0 H MET A 72 -8.952 -6.976 -4.484 1.00 0.00 H new ATOM 0 HA MET A 72 -11.036 -6.245 -2.521 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.337 -4.934 -2.980 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.406 -4.730 -1.606 1.00 0.00 H new ATOM 0 HG2 MET A 72 -9.022 -7.388 -1.410 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.539 -6.976 -2.250 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.971 -4.283 0.063 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.564 -4.532 -1.597 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.574 -3.672 -0.410 1.00 0.00 H new ATOM 1089 N THR A 73 -11.653 -4.009 -3.536 1.00 0.00 N ATOM 1090 CA THR A 73 -12.218 -2.889 -4.279 1.00 0.00 C ATOM 1091 C THR A 73 -11.580 -1.571 -3.856 1.00 0.00 C ATOM 1092 O THR A 73 -11.196 -1.399 -2.699 1.00 0.00 O ATOM 1093 CB THR A 73 -13.743 -2.795 -4.080 1.00 0.00 C ATOM 1094 OG1 THR A 73 -14.051 -2.705 -2.685 1.00 0.00 O ATOM 1095 CG2 THR A 73 -14.442 -4.005 -4.682 1.00 0.00 C ATOM 0 H THR A 73 -12.025 -4.120 -2.593 1.00 0.00 H new ATOM 0 HA THR A 73 -12.007 -3.070 -5.333 1.00 0.00 H new ATOM 0 HB THR A 73 -14.099 -1.899 -4.588 1.00 0.00 H new ATOM 0 HG1 THR A 73 -15.022 -2.644 -2.568 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.518 -3.917 -4.530 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.230 -4.054 -5.750 1.00 0.00 H new ATOM 0 HG23 THR A 73 -14.080 -4.912 -4.198 1.00 0.00 H new ATOM 1103 N HIS A 74 -11.470 -0.642 -4.800 1.00 0.00 N ATOM 1104 CA HIS A 74 -10.879 0.662 -4.525 1.00 0.00 C ATOM 1105 C HIS A 74 -11.289 1.163 -3.143 1.00 0.00 C ATOM 1106 O HIS A 74 -10.497 1.790 -2.440 1.00 0.00 O ATOM 1107 CB HIS A 74 -11.300 1.673 -5.592 1.00 0.00 C ATOM 1108 CG HIS A 74 -10.474 2.922 -5.594 1.00 0.00 C ATOM 1109 ND1 HIS A 74 -10.851 4.073 -6.253 1.00 0.00 N ATOM 1110 CD2 HIS A 74 -9.284 3.197 -5.011 1.00 0.00 C ATOM 1111 CE1 HIS A 74 -9.928 5.001 -6.076 1.00 0.00 C ATOM 1112 NE2 HIS A 74 -8.967 4.495 -5.325 1.00 0.00 N ATOM 0 H HIS A 74 -11.783 -0.768 -5.763 1.00 0.00 H new ATOM 0 HA HIS A 74 -9.795 0.553 -4.547 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -11.234 1.202 -6.573 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -12.345 1.939 -5.436 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -11.709 4.190 -6.793 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.694 2.521 -4.410 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -9.955 6.003 -6.477 1.00 0.00 H new ATOM 1121 N ALA A 75 -12.531 0.883 -2.762 1.00 0.00 N ATOM 1122 CA ALA A 75 -13.045 1.304 -1.464 1.00 0.00 C ATOM 1123 C ALA A 75 -12.263 0.655 -0.327 1.00 0.00 C ATOM 1124 O ALA A 75 -11.868 1.325 0.628 1.00 0.00 O ATOM 1125 CB ALA A 75 -14.524 0.968 -1.349 1.00 0.00 C ATOM 0 H ALA A 75 -13.200 0.367 -3.333 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.921 2.384 -1.384 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -14.895 1.288 -0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.076 1.483 -2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.662 -0.108 -1.454 1.00 0.00 H new ATOM 1131 N ARG A 76 -12.043 -0.651 -0.436 1.00 0.00 N ATOM 1132 CA ARG A 76 -11.310 -1.390 0.585 1.00 0.00 C ATOM 1133 C ARG A 76 -9.962 -0.734 0.868 1.00 0.00 C ATOM 1134 O ARG A 76 -9.719 -0.241 1.969 1.00 0.00 O ATOM 1135 CB ARG A 76 -11.101 -2.840 0.144 1.00 0.00 C ATOM 1136 CG ARG A 76 -10.056 -3.580 0.962 1.00 0.00 C ATOM 1137 CD ARG A 76 -10.363 -3.515 2.449 1.00 0.00 C ATOM 1138 NE ARG A 76 -9.821 -4.663 3.171 1.00 0.00 N ATOM 1139 CZ ARG A 76 -10.232 -5.033 4.379 1.00 0.00 C ATOM 1140 NH1 ARG A 76 -11.185 -4.349 4.997 1.00 0.00 N ATOM 1141 NH2 ARG A 76 -9.690 -6.090 4.971 1.00 0.00 N ATOM 0 H ARG A 76 -12.362 -1.219 -1.221 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.900 -1.378 1.501 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.049 -3.373 0.214 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.805 -2.853 -0.905 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.014 -4.622 0.643 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.073 -3.149 0.773 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.948 -2.597 2.865 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.442 -3.472 2.595 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.086 -5.211 2.723 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.605 -3.537 4.545 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.499 -4.635 5.924 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.957 -6.619 4.499 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.006 -6.373 5.898 1.00 0.00 H new ATOM 1155 N ALA A 77 -9.089 -0.731 -0.134 1.00 0.00 N ATOM 1156 CA ALA A 77 -7.766 -0.135 0.007 1.00 0.00 C ATOM 1157 C ALA A 77 -7.850 1.238 0.666 1.00 0.00 C ATOM 1158 O ALA A 77 -6.999 1.599 1.478 1.00 0.00 O ATOM 1159 CB ALA A 77 -7.087 -0.030 -1.351 1.00 0.00 C ATOM 0 H ALA A 77 -9.274 -1.135 -1.052 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.170 -0.782 0.650 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.100 0.417 -1.231 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.985 -1.025 -1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.689 0.593 -2.012 1.00 0.00 H new ATOM 1165 N ILE A 78 -8.881 1.997 0.310 1.00 0.00 N ATOM 1166 CA ILE A 78 -9.075 3.330 0.868 1.00 0.00 C ATOM 1167 C ILE A 78 -9.292 3.268 2.376 1.00 0.00 C ATOM 1168 O ILE A 78 -8.920 4.187 3.105 1.00 0.00 O ATOM 1169 CB ILE A 78 -10.274 4.044 0.217 1.00 0.00 C ATOM 1170 CG1 ILE A 78 -9.949 4.416 -1.231 1.00 0.00 C ATOM 1171 CG2 ILE A 78 -10.652 5.282 1.016 1.00 0.00 C ATOM 1172 CD1 ILE A 78 -9.205 5.727 -1.366 1.00 0.00 C ATOM 0 H ILE A 78 -9.594 1.712 -0.361 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.168 3.896 0.657 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.126 3.364 0.215 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.351 3.621 -1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.877 4.474 -1.800 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.501 5.775 0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.921 4.991 2.032 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.805 5.968 1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.008 5.927 -2.419 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.810 6.533 -0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.260 5.667 -0.825 1.00 0.00 H new ATOM 1184 N GLU A 79 -9.897 2.178 2.837 1.00 0.00 N ATOM 1185 CA GLU A 79 -10.163 1.996 4.259 1.00 0.00 C ATOM 1186 C GLU A 79 -8.946 1.412 4.970 1.00 0.00 C ATOM 1187 O GLU A 79 -8.738 1.643 6.162 1.00 0.00 O ATOM 1188 CB GLU A 79 -11.373 1.082 4.462 1.00 0.00 C ATOM 1189 CG GLU A 79 -11.002 -0.359 4.772 1.00 0.00 C ATOM 1190 CD GLU A 79 -12.216 -1.235 5.012 1.00 0.00 C ATOM 1191 OE1 GLU A 79 -13.176 -1.149 4.218 1.00 0.00 O ATOM 1192 OE2 GLU A 79 -12.207 -2.007 5.994 1.00 0.00 O ATOM 0 H GLU A 79 -10.212 1.408 2.247 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.379 2.974 4.689 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.982 1.475 5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.990 1.104 3.563 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.422 -0.767 3.944 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.361 -0.384 5.653 1.00 0.00 H new ATOM 1199 N LEU A 80 -8.143 0.654 4.231 1.00 0.00 N ATOM 1200 CA LEU A 80 -6.946 0.036 4.789 1.00 0.00 C ATOM 1201 C LEU A 80 -5.923 1.094 5.190 1.00 0.00 C ATOM 1202 O LEU A 80 -5.255 0.968 6.217 1.00 0.00 O ATOM 1203 CB LEU A 80 -6.328 -0.931 3.777 1.00 0.00 C ATOM 1204 CG LEU A 80 -7.128 -2.202 3.488 1.00 0.00 C ATOM 1205 CD1 LEU A 80 -6.351 -3.121 2.559 1.00 0.00 C ATOM 1206 CD2 LEU A 80 -7.476 -2.920 4.784 1.00 0.00 C ATOM 0 H LEU A 80 -8.300 0.453 3.243 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.236 -0.519 5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.180 -0.397 2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.341 -1.221 4.138 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.057 -1.919 2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.935 -4.020 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.154 -2.606 1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.406 -3.397 3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.045 -3.822 4.559 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.559 -3.191 5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.073 -2.262 5.415 1.00 0.00 H new ATOM 1218 N ILE A 81 -5.806 2.135 4.373 1.00 0.00 N ATOM 1219 CA ILE A 81 -4.867 3.216 4.644 1.00 0.00 C ATOM 1220 C ILE A 81 -5.216 3.936 5.942 1.00 0.00 C ATOM 1221 O ILE A 81 -4.340 4.454 6.634 1.00 0.00 O ATOM 1222 CB ILE A 81 -4.840 4.240 3.494 1.00 0.00 C ATOM 1223 CG1 ILE A 81 -4.629 3.531 2.155 1.00 0.00 C ATOM 1224 CG2 ILE A 81 -3.748 5.273 3.730 1.00 0.00 C ATOM 1225 CD1 ILE A 81 -5.100 4.335 0.964 1.00 0.00 C ATOM 0 H ILE A 81 -6.350 2.253 3.518 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.881 2.761 4.738 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.800 4.755 3.464 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.569 3.307 2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.157 2.578 2.171 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.742 5.990 2.909 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.939 5.796 4.667 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.780 4.774 3.784 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.919 3.770 0.049 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.167 4.537 1.060 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.554 5.278 0.923 1.00 0.00 H new ATOM 1237 N LYS A 82 -6.504 3.963 6.269 1.00 0.00 N ATOM 1238 CA LYS A 82 -6.972 4.615 7.486 1.00 0.00 C ATOM 1239 C LYS A 82 -7.163 3.600 8.609 1.00 0.00 C ATOM 1240 O LYS A 82 -7.265 3.967 9.779 1.00 0.00 O ATOM 1241 CB LYS A 82 -8.286 5.353 7.221 1.00 0.00 C ATOM 1242 CG LYS A 82 -9.224 4.607 6.288 1.00 0.00 C ATOM 1243 CD LYS A 82 -10.525 5.365 6.083 1.00 0.00 C ATOM 1244 CE LYS A 82 -10.281 6.733 5.463 1.00 0.00 C ATOM 1245 NZ LYS A 82 -11.536 7.331 4.928 1.00 0.00 N ATOM 0 H LYS A 82 -7.243 3.540 5.707 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.215 5.335 7.797 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.793 5.527 8.170 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.064 6.331 6.794 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.736 4.454 5.326 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.438 3.620 6.698 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.187 4.786 5.440 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.033 5.483 7.040 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.851 7.399 6.211 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.550 6.642 4.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.328 8.262 4.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.933 6.708 4.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.224 7.441 5.700 1.00 0.00 H new ATOM 1259 N SER A 83 -7.210 2.323 8.244 1.00 0.00 N ATOM 1260 CA SER A 83 -7.392 1.256 9.220 1.00 0.00 C ATOM 1261 C SER A 83 -6.104 1.008 10.000 1.00 0.00 C ATOM 1262 O SER A 83 -6.136 0.675 11.184 1.00 0.00 O ATOM 1263 CB SER A 83 -7.835 -0.032 8.523 1.00 0.00 C ATOM 1264 OG SER A 83 -8.357 -0.963 9.455 1.00 0.00 O ATOM 0 H SER A 83 -7.125 2.002 7.279 1.00 0.00 H new ATOM 0 HA SER A 83 -8.167 1.567 9.921 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.591 0.199 7.772 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.989 -0.474 7.998 1.00 0.00 H new ATOM 0 HG SER A 83 -8.634 -1.777 8.984 1.00 0.00 H new ATOM 1270 N GLY A 84 -4.970 1.173 9.326 1.00 0.00 N ATOM 1271 CA GLY A 84 -3.687 0.963 9.971 1.00 0.00 C ATOM 1272 C GLY A 84 -3.389 2.012 11.024 1.00 0.00 C ATOM 1273 O GLY A 84 -2.903 1.692 12.108 1.00 0.00 O ATOM 0 H GLY A 84 -4.917 1.448 8.345 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -3.673 -0.025 10.432 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -2.899 0.974 9.218 1.00 0.00 H new ATOM 1277 N GLY A 85 -3.678 3.270 10.704 1.00 0.00 N ATOM 1278 CA GLY A 85 -3.430 4.350 11.641 1.00 0.00 C ATOM 1279 C GLY A 85 -2.645 5.487 11.019 1.00 0.00 C ATOM 1280 O GLY A 85 -2.871 5.848 9.864 1.00 0.00 O ATOM 0 H GLY A 85 -4.079 3.560 9.812 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.381 4.730 12.013 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.883 3.963 12.501 1.00 0.00 H new ATOM 1284 N ARG A 86 -1.721 6.056 11.787 1.00 0.00 N ATOM 1285 CA ARG A 86 -0.901 7.161 11.305 1.00 0.00 C ATOM 1286 C ARG A 86 0.218 6.655 10.401 1.00 0.00 C ATOM 1287 O ARG A 86 0.719 7.386 9.547 1.00 0.00 O ATOM 1288 CB ARG A 86 -0.309 7.936 12.483 1.00 0.00 C ATOM 1289 CG ARG A 86 -1.152 9.124 12.917 1.00 0.00 C ATOM 1290 CD ARG A 86 -0.864 9.514 14.358 1.00 0.00 C ATOM 1291 NE ARG A 86 -1.342 10.860 14.667 1.00 0.00 N ATOM 1292 CZ ARG A 86 -0.698 11.967 14.315 1.00 0.00 C ATOM 1293 NH1 ARG A 86 0.444 11.890 13.645 1.00 0.00 N ATOM 1294 NH2 ARG A 86 -1.197 13.155 14.632 1.00 0.00 N ATOM 0 H ARG A 86 -1.522 5.770 12.746 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.539 7.827 10.724 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.189 7.259 13.329 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.686 8.288 12.212 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.952 9.972 12.262 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.209 8.880 12.809 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.338 8.798 15.029 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.209 9.460 14.541 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.218 10.954 15.181 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.830 10.979 13.399 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.936 12.742 13.376 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.076 13.218 15.146 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.702 14.005 14.361 1.00 0.00 H new ATOM 1308 N ARG A 87 0.606 5.398 10.595 1.00 0.00 N ATOM 1309 CA ARG A 87 1.668 4.795 9.798 1.00 0.00 C ATOM 1310 C ARG A 87 1.104 3.736 8.855 1.00 0.00 C ATOM 1311 O ARG A 87 0.456 2.784 9.289 1.00 0.00 O ATOM 1312 CB ARG A 87 2.726 4.170 10.710 1.00 0.00 C ATOM 1313 CG ARG A 87 3.245 5.118 11.779 1.00 0.00 C ATOM 1314 CD ARG A 87 3.991 4.369 12.872 1.00 0.00 C ATOM 1315 NE ARG A 87 3.090 3.581 13.708 1.00 0.00 N ATOM 1316 CZ ARG A 87 3.375 3.213 14.953 1.00 0.00 C ATOM 1317 NH1 ARG A 87 4.531 3.561 15.502 1.00 0.00 N ATOM 1318 NH2 ARG A 87 2.503 2.496 15.650 1.00 0.00 N ATOM 0 H ARG A 87 0.201 4.778 11.297 1.00 0.00 H new ATOM 0 HA ARG A 87 2.131 5.580 9.200 1.00 0.00 H new ATOM 0 HB2 ARG A 87 2.303 3.289 11.192 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.563 3.829 10.101 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.907 5.854 11.324 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.411 5.667 12.216 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.733 3.712 12.419 1.00 0.00 H new ATOM 0 HD3 ARG A 87 4.533 5.081 13.494 1.00 0.00 H new ATOM 0 HE ARG A 87 2.193 3.297 13.315 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.203 4.112 14.969 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.748 3.278 16.458 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.613 2.227 15.230 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.723 2.214 16.605 1.00 0.00 H new ATOM 1332 N VAL A 88 1.355 3.910 7.561 1.00 0.00 N ATOM 1333 CA VAL A 88 0.874 2.969 6.556 1.00 0.00 C ATOM 1334 C VAL A 88 2.032 2.360 5.774 1.00 0.00 C ATOM 1335 O VAL A 88 2.972 3.058 5.393 1.00 0.00 O ATOM 1336 CB VAL A 88 -0.095 3.649 5.571 1.00 0.00 C ATOM 1337 CG1 VAL A 88 0.597 4.789 4.841 1.00 0.00 C ATOM 1338 CG2 VAL A 88 -0.650 2.632 4.584 1.00 0.00 C ATOM 0 H VAL A 88 1.888 4.694 7.184 1.00 0.00 H new ATOM 0 HA VAL A 88 0.345 2.179 7.089 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.928 4.066 6.137 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.104 5.257 4.150 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.942 5.528 5.564 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.450 4.400 4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.333 3.129 3.895 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.170 2.185 4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.185 1.853 5.127 1.00 0.00 H new ATOM 1348 N ARG A 89 1.958 1.054 5.538 1.00 0.00 N ATOM 1349 CA ARG A 89 3.001 0.351 4.802 1.00 0.00 C ATOM 1350 C ARG A 89 2.397 -0.526 3.709 1.00 0.00 C ATOM 1351 O ARG A 89 1.728 -1.520 3.994 1.00 0.00 O ATOM 1352 CB ARG A 89 3.838 -0.506 5.754 1.00 0.00 C ATOM 1353 CG ARG A 89 4.764 -1.479 5.043 1.00 0.00 C ATOM 1354 CD ARG A 89 5.134 -2.651 5.938 1.00 0.00 C ATOM 1355 NE ARG A 89 6.251 -3.421 5.397 1.00 0.00 N ATOM 1356 CZ ARG A 89 6.779 -4.477 6.007 1.00 0.00 C ATOM 1357 NH1 ARG A 89 6.293 -4.887 7.170 1.00 0.00 N ATOM 1358 NH2 ARG A 89 7.794 -5.126 5.451 1.00 0.00 N ATOM 0 H ARG A 89 1.187 0.462 5.846 1.00 0.00 H new ATOM 0 HA ARG A 89 3.645 1.095 4.333 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.433 0.149 6.391 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.170 -1.066 6.408 1.00 0.00 H new ATOM 0 HG2 ARG A 89 4.280 -1.849 4.139 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.669 -0.959 4.730 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.395 -2.282 6.930 1.00 0.00 H new ATOM 0 HD3 ARG A 89 4.269 -3.303 6.058 1.00 0.00 H new ATOM 0 HE ARG A 89 6.647 -3.133 4.502 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.512 -4.392 7.599 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.700 -5.698 7.636 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.169 -4.814 4.555 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.199 -5.936 5.919 1.00 0.00 H new ATOM 1372 N LEU A 90 2.638 -0.152 2.457 1.00 0.00 N ATOM 1373 CA LEU A 90 2.118 -0.904 1.320 1.00 0.00 C ATOM 1374 C LEU A 90 3.244 -1.313 0.376 1.00 0.00 C ATOM 1375 O LEU A 90 4.220 -0.582 0.204 1.00 0.00 O ATOM 1376 CB LEU A 90 1.081 -0.071 0.564 1.00 0.00 C ATOM 1377 CG LEU A 90 1.274 1.445 0.611 1.00 0.00 C ATOM 1378 CD1 LEU A 90 0.830 2.080 -0.697 1.00 0.00 C ATOM 1379 CD2 LEU A 90 0.509 2.044 1.783 1.00 0.00 C ATOM 0 H LEU A 90 3.190 0.667 2.204 1.00 0.00 H new ATOM 0 HA LEU A 90 1.642 -1.808 1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.083 -0.385 -0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.095 -0.304 0.965 1.00 0.00 H new ATOM 0 HG LEU A 90 2.335 1.653 0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.975 3.159 -0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.421 1.674 -1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.225 1.863 -0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.658 3.124 1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.553 1.826 1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.874 1.612 2.715 1.00 0.00 H new ATOM 1391 N LEU A 91 3.102 -2.485 -0.233 1.00 0.00 N ATOM 1392 CA LEU A 91 4.106 -2.991 -1.162 1.00 0.00 C ATOM 1393 C LEU A 91 3.858 -2.465 -2.573 1.00 0.00 C ATOM 1394 O LEU A 91 2.902 -2.867 -3.238 1.00 0.00 O ATOM 1395 CB LEU A 91 4.100 -4.520 -1.168 1.00 0.00 C ATOM 1396 CG LEU A 91 5.358 -5.195 -1.715 1.00 0.00 C ATOM 1397 CD1 LEU A 91 5.180 -6.705 -1.756 1.00 0.00 C ATOM 1398 CD2 LEU A 91 5.692 -4.658 -3.099 1.00 0.00 C ATOM 0 H LEU A 91 2.301 -3.103 -0.100 1.00 0.00 H new ATOM 0 HA LEU A 91 5.082 -2.639 -0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.941 -4.867 -0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.246 -4.858 -1.756 1.00 0.00 H new ATOM 0 HG LEU A 91 6.189 -4.966 -1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.086 -7.168 -2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.990 -7.076 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.337 -6.955 -2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.590 -5.149 -3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.861 -4.856 -3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.864 -3.583 -3.040 1.00 0.00 H new ATOM 1410 N LEU A 92 4.725 -1.565 -3.024 1.00 0.00 N ATOM 1411 CA LEU A 92 4.602 -0.985 -4.357 1.00 0.00 C ATOM 1412 C LEU A 92 5.649 -1.565 -5.302 1.00 0.00 C ATOM 1413 O LEU A 92 6.696 -2.046 -4.867 1.00 0.00 O ATOM 1414 CB LEU A 92 4.747 0.536 -4.288 1.00 0.00 C ATOM 1415 CG LEU A 92 4.113 1.324 -5.434 1.00 0.00 C ATOM 1416 CD1 LEU A 92 2.596 1.307 -5.318 1.00 0.00 C ATOM 1417 CD2 LEU A 92 4.632 2.754 -5.451 1.00 0.00 C ATOM 0 H LEU A 92 5.521 -1.221 -2.486 1.00 0.00 H new ATOM 0 HA LEU A 92 3.614 -1.232 -4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.309 0.880 -3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.809 0.778 -4.251 1.00 0.00 H new ATOM 0 HG LEU A 92 4.391 0.847 -6.374 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.162 1.873 -6.142 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.240 0.278 -5.357 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.298 1.758 -4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.169 3.299 -6.274 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.385 3.242 -4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.714 2.747 -5.584 1.00 0.00 H new ATOM 1429 N LYS A 93 5.360 -1.516 -6.598 1.00 0.00 N ATOM 1430 CA LYS A 93 6.278 -2.033 -7.607 1.00 0.00 C ATOM 1431 C LYS A 93 6.579 -0.973 -8.662 1.00 0.00 C ATOM 1432 O LYS A 93 5.667 -0.381 -9.238 1.00 0.00 O ATOM 1433 CB LYS A 93 5.687 -3.277 -8.273 1.00 0.00 C ATOM 1434 CG LYS A 93 6.505 -3.785 -9.447 1.00 0.00 C ATOM 1435 CD LYS A 93 5.628 -4.460 -10.488 1.00 0.00 C ATOM 1436 CE LYS A 93 5.030 -5.755 -9.959 1.00 0.00 C ATOM 1437 NZ LYS A 93 3.707 -5.531 -9.311 1.00 0.00 N ATOM 0 H LYS A 93 4.497 -1.124 -6.975 1.00 0.00 H new ATOM 0 HA LYS A 93 7.211 -2.302 -7.111 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.601 -4.070 -7.530 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.677 -3.050 -8.615 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.041 -2.954 -9.905 1.00 0.00 H new ATOM 0 HG3 LYS A 93 7.256 -4.490 -9.090 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.827 -3.783 -10.785 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.217 -4.668 -11.381 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.917 -6.465 -10.779 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.715 -6.204 -9.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.579 -6.214 -8.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.667 -4.564 -8.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.951 -5.658 -10.013 1.00 0.00 H new ATOM 1451 N ARG A 94 7.864 -0.741 -8.911 1.00 0.00 N ATOM 1452 CA ARG A 94 8.285 0.246 -9.897 1.00 0.00 C ATOM 1453 C ARG A 94 8.612 -0.421 -11.229 1.00 0.00 C ATOM 1454 O ARG A 94 9.365 -1.394 -11.280 1.00 0.00 O ATOM 1455 CB ARG A 94 9.503 1.019 -9.389 1.00 0.00 C ATOM 1456 CG ARG A 94 10.086 1.980 -10.412 1.00 0.00 C ATOM 1457 CD ARG A 94 9.203 3.205 -10.591 1.00 0.00 C ATOM 1458 NE ARG A 94 9.680 4.071 -11.666 1.00 0.00 N ATOM 1459 CZ ARG A 94 9.010 5.128 -12.110 1.00 0.00 C ATOM 1460 NH1 ARG A 94 7.840 5.449 -11.575 1.00 0.00 N ATOM 1461 NH2 ARG A 94 9.510 5.868 -13.092 1.00 0.00 N ATOM 0 H ARG A 94 8.631 -1.224 -8.443 1.00 0.00 H new ATOM 0 HA ARG A 94 7.460 0.942 -10.052 1.00 0.00 H new ATOM 0 HB2 ARG A 94 9.221 1.579 -8.497 1.00 0.00 H new ATOM 0 HB3 ARG A 94 10.274 0.309 -9.090 1.00 0.00 H new ATOM 0 HG2 ARG A 94 11.082 2.291 -10.095 1.00 0.00 H new ATOM 0 HG3 ARG A 94 10.201 1.470 -11.368 1.00 0.00 H new ATOM 0 HD2 ARG A 94 8.183 2.888 -10.807 1.00 0.00 H new ATOM 0 HD3 ARG A 94 9.171 3.769 -9.659 1.00 0.00 H new ATOM 0 HE ARG A 94 10.577 3.852 -12.099 1.00 0.00 H new ATOM 0 HH11 ARG A 94 7.452 4.883 -10.820 1.00 0.00 H new ATOM 0 HH12 ARG A 94 7.328 6.262 -11.918 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.410 5.625 -13.506 1.00 0.00 H new ATOM 0 HH22 ARG A 94 8.994 6.680 -13.432 1.00 0.00 H new ATOM 1475 N GLY A 95 8.041 0.108 -12.307 1.00 0.00 N ATOM 1476 CA GLY A 95 8.283 -0.450 -13.625 1.00 0.00 C ATOM 1477 C GLY A 95 9.495 0.163 -14.300 1.00 0.00 C ATOM 1478 O GLY A 95 9.436 0.548 -15.468 1.00 0.00 O ATOM 0 H GLY A 95 7.415 0.913 -12.291 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.424 -1.527 -13.540 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.404 -0.292 -14.250 1.00 0.00 H new ATOM 1482 N THR A 96 10.597 0.255 -13.563 1.00 0.00 N ATOM 1483 CA THR A 96 11.827 0.828 -14.096 1.00 0.00 C ATOM 1484 C THR A 96 12.504 -0.131 -15.069 1.00 0.00 C ATOM 1485 O THR A 96 13.419 0.251 -15.796 1.00 0.00 O ATOM 1486 CB THR A 96 12.816 1.181 -12.969 1.00 0.00 C ATOM 1487 OG1 THR A 96 13.985 1.800 -13.520 1.00 0.00 O ATOM 1488 CG2 THR A 96 13.215 -0.063 -12.189 1.00 0.00 C ATOM 0 H THR A 96 10.663 -0.060 -12.595 1.00 0.00 H new ATOM 0 HA THR A 96 11.548 1.740 -14.624 1.00 0.00 H new ATOM 0 HB THR A 96 12.324 1.875 -12.288 1.00 0.00 H new ATOM 0 HG1 THR A 96 14.072 1.552 -14.464 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.914 0.212 -11.399 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.327 -0.516 -11.747 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.690 -0.777 -12.861 1.00 0.00 H new ATOM 1496 N GLY A 97 12.046 -1.379 -15.077 1.00 0.00 N ATOM 1497 CA GLY A 97 12.618 -2.373 -15.966 1.00 0.00 C ATOM 1498 C GLY A 97 12.142 -2.216 -17.396 1.00 0.00 C ATOM 1499 O GLY A 97 11.296 -1.370 -17.686 1.00 0.00 O ATOM 0 H GLY A 97 11.289 -1.719 -14.484 1.00 0.00 H new ATOM 0 HA2 GLY A 97 13.705 -2.298 -15.938 1.00 0.00 H new ATOM 0 HA3 GLY A 97 12.358 -3.369 -15.607 1.00 0.00 H new ATOM 1503 N SER A 98 12.687 -3.031 -18.293 1.00 0.00 N ATOM 1504 CA SER A 98 12.316 -2.975 -19.702 1.00 0.00 C ATOM 1505 C SER A 98 11.114 -3.871 -19.984 1.00 0.00 C ATOM 1506 O SER A 98 10.708 -4.041 -21.133 1.00 0.00 O ATOM 1507 CB SER A 98 13.497 -3.396 -20.579 1.00 0.00 C ATOM 1508 OG SER A 98 13.540 -4.804 -20.734 1.00 0.00 O ATOM 0 H SER A 98 13.387 -3.738 -18.069 1.00 0.00 H new ATOM 0 HA SER A 98 12.044 -1.947 -19.940 1.00 0.00 H new ATOM 0 HB2 SER A 98 13.415 -2.922 -21.557 1.00 0.00 H new ATOM 0 HB3 SER A 98 14.428 -3.047 -20.132 1.00 0.00 H new ATOM 0 HG SER A 98 14.302 -5.048 -21.300 1.00 0.00 H new ATOM 1514 N GLY A 99 10.548 -4.442 -18.925 1.00 0.00 N ATOM 1515 CA GLY A 99 9.398 -5.314 -19.078 1.00 0.00 C ATOM 1516 C GLY A 99 9.481 -6.169 -20.327 1.00 0.00 C ATOM 1517 O GLY A 99 10.144 -7.206 -20.353 1.00 0.00 O ATOM 0 H GLY A 99 10.865 -4.316 -17.964 1.00 0.00 H new ATOM 0 HA2 GLY A 99 9.317 -5.960 -18.204 1.00 0.00 H new ATOM 0 HA3 GLY A 99 8.491 -4.711 -19.114 1.00 0.00 H new ATOM 1521 N PRO A 100 8.794 -5.734 -21.394 1.00 0.00 N ATOM 1522 CA PRO A 100 8.776 -6.453 -22.671 1.00 0.00 C ATOM 1523 C PRO A 100 10.119 -6.392 -23.389 1.00 0.00 C ATOM 1524 O PRO A 100 10.757 -5.340 -23.445 1.00 0.00 O ATOM 1525 CB PRO A 100 7.704 -5.715 -23.478 1.00 0.00 C ATOM 1526 CG PRO A 100 7.668 -4.344 -22.896 1.00 0.00 C ATOM 1527 CD PRO A 100 7.981 -4.506 -21.434 1.00 0.00 C ATOM 0 HA PRO A 100 8.573 -7.516 -22.538 1.00 0.00 H new ATOM 0 HB2 PRO A 100 7.955 -5.688 -24.538 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.735 -6.207 -23.392 1.00 0.00 H new ATOM 0 HG2 PRO A 100 8.397 -3.695 -23.381 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.689 -3.886 -23.037 1.00 0.00 H new ATOM 0 HD2 PRO A 100 8.528 -3.649 -21.043 1.00 0.00 H new ATOM 0 HD3 PRO A 100 7.074 -4.605 -20.837 1.00 0.00 H new ATOM 1535 N SER A 101 10.544 -7.525 -23.938 1.00 0.00 N ATOM 1536 CA SER A 101 11.814 -7.601 -24.651 1.00 0.00 C ATOM 1537 C SER A 101 11.664 -7.097 -26.083 1.00 0.00 C ATOM 1538 O SER A 101 12.190 -7.695 -27.022 1.00 0.00 O ATOM 1539 CB SER A 101 12.334 -9.040 -24.656 1.00 0.00 C ATOM 1540 OG SER A 101 12.512 -9.523 -23.336 1.00 0.00 O ATOM 0 H SER A 101 10.027 -8.404 -23.903 1.00 0.00 H new ATOM 0 HA SER A 101 12.532 -6.964 -24.134 1.00 0.00 H new ATOM 0 HB2 SER A 101 11.633 -9.681 -25.190 1.00 0.00 H new ATOM 0 HB3 SER A 101 13.281 -9.086 -25.194 1.00 0.00 H new ATOM 0 HG SER A 101 12.843 -10.445 -23.367 1.00 0.00 H new ATOM 1546 N SER A 102 10.943 -5.992 -26.242 1.00 0.00 N ATOM 1547 CA SER A 102 10.720 -5.408 -27.560 1.00 0.00 C ATOM 1548 C SER A 102 11.678 -4.247 -27.808 1.00 0.00 C ATOM 1549 O SER A 102 12.165 -3.617 -26.870 1.00 0.00 O ATOM 1550 CB SER A 102 9.274 -4.927 -27.690 1.00 0.00 C ATOM 1551 OG SER A 102 8.957 -3.985 -26.680 1.00 0.00 O ATOM 0 H SER A 102 10.503 -5.483 -25.475 1.00 0.00 H new ATOM 0 HA SER A 102 10.908 -6.178 -28.308 1.00 0.00 H new ATOM 0 HB2 SER A 102 9.124 -4.477 -28.671 1.00 0.00 H new ATOM 0 HB3 SER A 102 8.597 -5.778 -27.623 1.00 0.00 H new ATOM 0 HG SER A 102 8.028 -3.692 -26.786 1.00 0.00 H new ATOM 1557 N GLY A 103 11.944 -3.969 -29.081 1.00 0.00 N ATOM 1558 CA GLY A 103 12.843 -2.885 -29.432 1.00 0.00 C ATOM 1559 C GLY A 103 13.976 -3.339 -30.331 1.00 0.00 C ATOM 1560 O GLY A 103 14.042 -4.507 -30.715 1.00 0.00 O ATOM 0 H GLY A 103 11.553 -4.475 -29.875 1.00 0.00 H new ATOM 0 HA2 GLY A 103 12.280 -2.098 -29.932 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.257 -2.451 -28.522 1.00 0.00 H new TER 1564 GLY A 103