USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 0 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 42 SER OG : rot 84:sc= 0.49 USER MOD Set 1.2: A 54 ASN : amide:sc= -8.35! C(o=-12!,f=-11!) USER MOD Set 1.3: A 56 GLN : amide:sc= -4.09! C(o=-12!,f=-10!) USER MOD Set 2.1: A 1 GLY N :NH3+ 146:sc= 1.29 (180deg=-1.01!) USER MOD Set 2.2: A 46 ASN : amide:sc= 0.983 K(o=2.3,f=-9.9!) USER MOD Set 3.1: A 33 LYS NZ :NH3+ 155:sc= 2 (180deg=0.89) USER MOD Set 3.2: A 64 THR OG1 : rot 86:sc= 0.452 USER MOD Set 4.1: A 15 SER OG : rot -48:sc= 1.1 USER MOD Set 4.2: A 23 SER OG : rot -14:sc= 2.18 USER MOD Set 4.3: A 26 SER OG : rot 120:sc= 1.94 USER MOD Set 5.1: A 10 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 76:sc= 0.216 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 150:sc= 0.273! (180deg=-1.63!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -0.0472 X(o=-0.047,f=-0.068) USER MOD Single : A 53 ASN : amide:sc= -0.435! C(o=-0.43!,f=-4.6!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.814 X(o=-0.81,f=-0.83) USER MOD Single : A 66 LYS NZ :NH3+ 150:sc= 2.44 (180deg=0.822) USER MOD Single : A 68 ASN : amide:sc= -0.0278 X(o=-0.028,f=-0.012) USER MOD Single : A 70 ASN : amide:sc= 1.2 K(o=1.2,f=-0.0095) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.978 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.644 0.549 -3.187 1.00 2.20 N ATOM 2 CA GLY A 1 2.293 0.525 -3.780 1.00 50.05 C ATOM 3 C GLY A 1 2.177 -0.494 -4.901 1.00 30.15 C ATOM 4 O GLY A 1 1.211 -0.490 -5.673 1.00 61.01 O ATOM 0 H1 GLY A 1 3.878 1.520 -2.896 1.00 2.20 H new ATOM 0 H2 GLY A 1 3.670 -0.077 -2.357 1.00 2.20 H new ATOM 0 H3 GLY A 1 4.337 0.222 -3.890 1.00 2.20 H new ATOM 0 HA2 GLY A 1 1.562 0.295 -3.005 1.00 50.05 H new ATOM 0 HA3 GLY A 1 2.049 1.515 -4.165 1.00 50.05 H new ATOM 5 N CYS A 2 3.115 -1.384 -4.957 1.00 22.23 N ATOM 6 CA CYS A 2 3.248 -2.354 -6.004 1.00 11.33 C ATOM 7 C CYS A 2 3.032 -3.742 -5.366 1.00 11.31 C ATOM 8 O CYS A 2 3.684 -4.730 -5.685 1.00 1.45 O ATOM 9 CB CYS A 2 4.652 -2.230 -6.562 1.00 61.44 C ATOM 10 SG CYS A 2 5.187 -0.510 -6.908 1.00 0.32 S ATOM 0 H CYS A 2 3.842 -1.461 -4.246 1.00 22.23 H new ATOM 0 HA CYS A 2 2.528 -2.207 -6.809 1.00 11.33 H new ATOM 0 HB2 CYS A 2 5.350 -2.679 -5.856 1.00 61.44 H new ATOM 0 HB3 CYS A 2 4.715 -2.809 -7.484 1.00 61.44 H new ATOM 11 N PHE A 3 2.010 -3.772 -4.556 1.00 73.31 N ATOM 12 CA PHE A 3 1.640 -4.855 -3.642 1.00 2.25 C ATOM 13 C PHE A 3 1.463 -6.283 -4.202 1.00 70.13 C ATOM 14 O PHE A 3 1.693 -7.247 -3.474 1.00 14.01 O ATOM 15 CB PHE A 3 0.378 -4.448 -2.869 1.00 40.31 C ATOM 16 CG PHE A 3 -0.793 -4.052 -3.766 1.00 24.13 C ATOM 17 CD1 PHE A 3 -1.636 -5.018 -4.328 1.00 75.44 C ATOM 18 CD2 PHE A 3 -1.052 -2.710 -4.042 1.00 51.33 C ATOM 19 CE1 PHE A 3 -2.695 -4.648 -5.135 1.00 2.52 C ATOM 20 CE2 PHE A 3 -2.110 -2.346 -4.849 1.00 45.24 C ATOM 21 CZ PHE A 3 -2.930 -3.313 -5.395 1.00 53.32 C ATOM 0 H PHE A 3 1.357 -2.990 -4.502 1.00 73.31 H new ATOM 0 HA PHE A 3 2.526 -4.958 -3.016 1.00 2.25 H new ATOM 0 HB2 PHE A 3 0.071 -5.277 -2.231 1.00 40.31 H new ATOM 0 HB3 PHE A 3 0.619 -3.612 -2.212 1.00 40.31 H new ATOM 0 HD1 PHE A 3 -1.457 -6.064 -4.129 1.00 75.44 H new ATOM 0 HD2 PHE A 3 -0.417 -1.946 -3.619 1.00 51.33 H new ATOM 0 HE1 PHE A 3 -3.338 -5.403 -5.562 1.00 2.52 H new ATOM 0 HE2 PHE A 3 -2.297 -1.302 -5.054 1.00 45.24 H new ATOM 0 HZ PHE A 3 -3.757 -3.024 -6.027 1.00 53.32 H new ATOM 22 N GLU A 4 1.099 -6.420 -5.447 1.00 32.15 N ATOM 23 CA GLU A 4 0.616 -7.705 -5.941 1.00 51.15 C ATOM 24 C GLU A 4 1.630 -8.867 -5.857 1.00 31.01 C ATOM 25 O GLU A 4 1.302 -9.886 -5.272 1.00 3.21 O ATOM 26 CB GLU A 4 -0.085 -7.544 -7.295 1.00 24.00 C ATOM 27 CG GLU A 4 -0.886 -8.736 -7.764 1.00 43.33 C ATOM 28 CD GLU A 4 -0.114 -9.635 -8.697 1.00 1.21 C ATOM 29 OE1 GLU A 4 -0.160 -9.400 -9.918 1.00 72.21 O ATOM 30 OE2 GLU A 4 0.556 -10.582 -8.233 1.00 45.35 O ATOM 0 H GLU A 4 1.122 -5.673 -6.142 1.00 32.15 H new ATOM 0 HA GLU A 4 -0.146 -8.040 -5.237 1.00 51.15 H new ATOM 0 HB2 GLU A 4 -0.750 -6.682 -7.239 1.00 24.00 H new ATOM 0 HB3 GLU A 4 0.669 -7.317 -8.049 1.00 24.00 H new ATOM 0 HG2 GLU A 4 -1.210 -9.313 -6.898 1.00 43.33 H new ATOM 0 HG3 GLU A 4 -1.787 -8.386 -8.268 1.00 43.33 H new ATOM 31 N ASP A 5 2.877 -8.691 -6.340 1.00 12.05 N ATOM 32 CA ASP A 5 3.862 -9.816 -6.280 1.00 51.31 C ATOM 33 C ASP A 5 4.176 -10.210 -4.840 1.00 22.12 C ATOM 34 O ASP A 5 4.400 -11.379 -4.530 1.00 22.02 O ATOM 35 CB ASP A 5 5.145 -9.534 -7.040 1.00 23.14 C ATOM 36 CG ASP A 5 6.103 -10.735 -7.053 1.00 24.15 C ATOM 37 OD1 ASP A 5 6.909 -10.875 -6.104 1.00 21.25 O ATOM 38 OD2 ASP A 5 6.048 -11.545 -8.011 1.00 33.12 O ATOM 0 H ASP A 5 3.225 -7.828 -6.759 1.00 12.05 H new ATOM 0 HA ASP A 5 3.376 -10.655 -6.778 1.00 51.31 H new ATOM 0 HB2 ASP A 5 4.901 -9.258 -8.066 1.00 23.14 H new ATOM 0 HB3 ASP A 5 5.648 -8.678 -6.590 1.00 23.14 H new ATOM 39 N TRP A 6 4.149 -9.231 -3.957 1.00 13.22 N ATOM 40 CA TRP A 6 4.300 -9.471 -2.544 1.00 10.12 C ATOM 41 C TRP A 6 3.218 -10.456 -2.017 1.00 23.10 C ATOM 42 O TRP A 6 3.527 -11.376 -1.260 1.00 44.45 O ATOM 43 CB TRP A 6 4.350 -8.120 -1.793 1.00 34.34 C ATOM 44 CG TRP A 6 3.952 -8.151 -0.342 1.00 34.13 C ATOM 45 CD1 TRP A 6 4.644 -8.703 0.693 1.00 53.23 C ATOM 46 CD2 TRP A 6 2.770 -7.576 0.233 1.00 74.14 C ATOM 47 NE1 TRP A 6 3.962 -8.524 1.867 1.00 52.41 N ATOM 48 CE2 TRP A 6 2.810 -7.833 1.614 1.00 75.43 C ATOM 49 CE3 TRP A 6 1.682 -6.874 -0.288 1.00 61.35 C ATOM 50 CZ2 TRP A 6 1.804 -7.414 2.480 1.00 31.05 C ATOM 51 CZ3 TRP A 6 0.684 -6.457 0.570 1.00 24.23 C ATOM 52 CH2 TRP A 6 0.752 -6.727 1.942 1.00 62.13 C ATOM 0 H TRP A 6 4.022 -8.249 -4.203 1.00 13.22 H new ATOM 0 HA TRP A 6 5.248 -9.973 -2.351 1.00 10.12 H new ATOM 0 HB2 TRP A 6 5.364 -7.727 -1.862 1.00 34.34 H new ATOM 0 HB3 TRP A 6 3.700 -7.416 -2.312 1.00 34.34 H new ATOM 0 HD1 TRP A 6 5.594 -9.209 0.601 1.00 53.23 H new ATOM 0 HE1 TRP A 6 4.265 -8.854 2.783 1.00 52.41 H new ATOM 0 HE3 TRP A 6 1.622 -6.661 -1.345 1.00 61.35 H new ATOM 0 HZ2 TRP A 6 1.853 -7.624 3.538 1.00 31.05 H new ATOM 0 HZ3 TRP A 6 -0.163 -5.914 0.177 1.00 24.23 H new ATOM 0 HH2 TRP A 6 -0.043 -6.386 2.588 1.00 62.13 H new ATOM 53 N SER A 7 1.981 -10.294 -2.459 1.00 43.12 N ATOM 54 CA SER A 7 0.917 -11.220 -2.080 1.00 23.24 C ATOM 55 C SER A 7 0.903 -12.466 -2.976 1.00 52.34 C ATOM 56 O SER A 7 0.310 -13.474 -2.637 1.00 0.34 O ATOM 57 CB SER A 7 -0.423 -10.548 -2.142 1.00 71.30 C ATOM 58 OG SER A 7 -0.432 -9.377 -1.346 1.00 4.14 O ATOM 0 H SER A 7 1.687 -9.537 -3.076 1.00 43.12 H new ATOM 0 HA SER A 7 1.118 -11.533 -1.055 1.00 23.24 H new ATOM 0 HB2 SER A 7 -0.661 -10.294 -3.175 1.00 71.30 H new ATOM 0 HB3 SER A 7 -1.196 -11.234 -1.797 1.00 71.30 H new ATOM 0 HG SER A 7 -1.313 -8.951 -1.400 1.00 4.14 H new ATOM 59 N ARG A 8 1.561 -12.367 -4.115 1.00 31.42 N ATOM 60 CA ARG A 8 1.650 -13.435 -5.134 1.00 50.32 C ATOM 61 C ARG A 8 2.361 -14.644 -4.558 1.00 60.33 C ATOM 62 O ARG A 8 2.255 -15.752 -5.070 1.00 64.30 O ATOM 63 CB ARG A 8 2.433 -12.867 -6.304 1.00 24.11 C ATOM 64 CG ARG A 8 2.320 -13.556 -7.640 1.00 73.31 C ATOM 65 CD ARG A 8 3.045 -12.693 -8.655 1.00 40.23 C ATOM 66 NE ARG A 8 2.894 -13.122 -10.044 1.00 30.41 N ATOM 67 CZ ARG A 8 2.243 -12.401 -10.962 1.00 53.01 C ATOM 68 NH1 ARG A 8 1.429 -11.445 -10.591 1.00 35.24 N ATOM 69 NH2 ARG A 8 2.388 -12.681 -12.246 1.00 63.13 N ATOM 0 H ARG A 8 2.069 -11.523 -4.380 1.00 31.42 H new ATOM 0 HA ARG A 8 0.659 -13.756 -5.454 1.00 50.32 H new ATOM 0 HB2 ARG A 8 2.126 -11.830 -6.438 1.00 24.11 H new ATOM 0 HB3 ARG A 8 3.486 -12.854 -6.024 1.00 24.11 H new ATOM 0 HG2 ARG A 8 2.761 -14.552 -7.597 1.00 73.31 H new ATOM 0 HG3 ARG A 8 1.274 -13.682 -7.920 1.00 73.31 H new ATOM 0 HD2 ARG A 8 2.683 -11.669 -8.565 1.00 40.23 H new ATOM 0 HD3 ARG A 8 4.106 -12.679 -8.407 1.00 40.23 H new ATOM 0 HE ARG A 8 3.304 -14.012 -10.326 1.00 30.41 H new ATOM 0 HH11 ARG A 8 1.291 -11.249 -9.600 1.00 35.24 H new ATOM 0 HH12 ARG A 8 0.933 -10.896 -11.293 1.00 35.24 H new ATOM 0 HH21 ARG A 8 2.996 -13.447 -12.535 1.00 63.13 H new ATOM 0 HH22 ARG A 8 1.891 -12.131 -12.947 1.00 63.13 H new ATOM 70 N CYS A 9 3.081 -14.405 -3.482 1.00 61.44 N ATOM 71 CA CYS A 9 3.782 -15.427 -2.767 1.00 22.15 C ATOM 72 C CYS A 9 2.838 -16.200 -1.831 1.00 42.53 C ATOM 73 O CYS A 9 3.269 -17.104 -1.124 1.00 1.50 O ATOM 74 CB CYS A 9 4.949 -14.803 -2.008 1.00 14.30 C ATOM 75 SG CYS A 9 6.084 -13.886 -3.110 1.00 71.11 S ATOM 0 H CYS A 9 3.191 -13.474 -3.080 1.00 61.44 H new ATOM 0 HA CYS A 9 4.178 -16.153 -3.477 1.00 22.15 H new ATOM 0 HB2 CYS A 9 4.563 -14.128 -1.245 1.00 14.30 H new ATOM 0 HB3 CYS A 9 5.503 -15.586 -1.490 1.00 14.30 H new ATOM 76 N SER A 10 1.552 -15.813 -1.799 1.00 61.05 N ATOM 77 CA SER A 10 0.561 -16.597 -1.094 1.00 12.22 C ATOM 78 C SER A 10 0.426 -17.942 -1.847 1.00 2.23 C ATOM 79 O SER A 10 0.570 -17.965 -3.068 1.00 40.43 O ATOM 80 CB SER A 10 -0.791 -15.838 -1.079 1.00 64.21 C ATOM 81 OG SER A 10 -1.799 -16.530 -0.353 1.00 71.23 O ATOM 0 H SER A 10 1.192 -14.972 -2.250 1.00 61.05 H new ATOM 0 HA SER A 10 0.855 -16.771 -0.059 1.00 12.22 H new ATOM 0 HB2 SER A 10 -0.645 -14.851 -0.639 1.00 64.21 H new ATOM 0 HB3 SER A 10 -1.128 -15.684 -2.104 1.00 64.21 H new ATOM 0 HG SER A 10 -2.630 -16.011 -0.371 1.00 71.23 H new ATOM 82 N PRO A 11 0.139 -19.077 -1.143 1.00 4.11 N ATOM 83 CA PRO A 11 0.044 -20.436 -1.761 1.00 44.34 C ATOM 84 C PRO A 11 -1.068 -20.594 -2.834 1.00 12.40 C ATOM 85 O PRO A 11 -1.362 -21.701 -3.282 1.00 35.12 O ATOM 86 CB PRO A 11 -0.254 -21.351 -0.563 1.00 34.03 C ATOM 87 CG PRO A 11 0.191 -20.581 0.629 1.00 2.00 C ATOM 88 CD PRO A 11 -0.084 -19.144 0.313 1.00 1.33 C ATOM 0 HA PRO A 11 0.961 -20.665 -2.305 1.00 44.34 H new ATOM 0 HB2 PRO A 11 -1.316 -21.591 -0.504 1.00 34.03 H new ATOM 0 HB3 PRO A 11 0.282 -22.296 -0.645 1.00 34.03 H new ATOM 0 HG2 PRO A 11 -0.350 -20.895 1.522 1.00 2.00 H new ATOM 0 HG3 PRO A 11 1.251 -20.742 0.825 1.00 2.00 H new ATOM 0 HD2 PRO A 11 -1.102 -18.860 0.579 1.00 1.33 H new ATOM 0 HD3 PRO A 11 0.585 -18.476 0.855 1.00 1.33 H new ATOM 89 N SER A 12 -1.664 -19.509 -3.233 1.00 72.13 N ATOM 90 CA SER A 12 -2.662 -19.516 -4.244 1.00 53.35 C ATOM 91 C SER A 12 -1.972 -19.378 -5.605 1.00 50.04 C ATOM 92 O SER A 12 -1.658 -18.270 -6.042 1.00 71.23 O ATOM 93 CB SER A 12 -3.628 -18.364 -3.997 1.00 3.23 C ATOM 94 OG SER A 12 -4.084 -18.405 -2.650 1.00 53.42 O ATOM 0 H SER A 12 -1.462 -18.583 -2.855 1.00 72.13 H new ATOM 0 HA SER A 12 -3.229 -20.447 -4.228 1.00 53.35 H new ATOM 0 HB2 SER A 12 -3.134 -17.413 -4.196 1.00 3.23 H new ATOM 0 HB3 SER A 12 -4.474 -18.433 -4.680 1.00 3.23 H new ATOM 0 HG SER A 12 -4.704 -17.663 -2.492 1.00 53.42 H new ATOM 95 N THR A 13 -1.641 -20.526 -6.198 1.00 54.22 N ATOM 96 CA THR A 13 -0.956 -20.631 -7.498 1.00 25.20 C ATOM 97 C THR A 13 0.567 -20.333 -7.359 1.00 24.32 C ATOM 98 O THR A 13 1.400 -21.091 -7.875 1.00 43.11 O ATOM 99 CB THR A 13 -1.624 -19.734 -8.585 1.00 74.21 C ATOM 100 OG1 THR A 13 -3.043 -19.988 -8.593 1.00 73.52 O ATOM 101 CG2 THR A 13 -1.070 -20.046 -9.968 1.00 45.53 C ATOM 0 H THR A 13 -1.845 -21.434 -5.781 1.00 54.22 H new ATOM 0 HA THR A 13 -1.060 -21.662 -7.836 1.00 25.20 H new ATOM 0 HB THR A 13 -1.414 -18.691 -8.348 1.00 74.21 H new ATOM 0 HG1 THR A 13 -3.472 -19.427 -9.272 1.00 73.52 H new ATOM 0 HG21 THR A 13 -1.553 -19.406 -10.706 1.00 45.53 H new ATOM 0 HG22 THR A 13 0.005 -19.865 -9.979 1.00 45.53 H new ATOM 0 HG23 THR A 13 -1.264 -21.091 -10.211 1.00 45.53 H new ATOM 102 N ALA A 14 0.888 -19.236 -6.652 1.00 31.34 N ATOM 103 CA ALA A 14 2.250 -18.788 -6.296 1.00 40.15 C ATOM 104 C ALA A 14 3.293 -18.938 -7.414 1.00 4.25 C ATOM 105 O ALA A 14 3.405 -18.080 -8.299 1.00 43.32 O ATOM 106 CB ALA A 14 2.728 -19.431 -4.992 1.00 32.23 C ATOM 0 H ALA A 14 0.171 -18.605 -6.295 1.00 31.34 H new ATOM 0 HA ALA A 14 2.159 -17.713 -6.143 1.00 40.15 H new ATOM 0 HB1 ALA A 14 3.733 -19.079 -4.760 1.00 32.23 H new ATOM 0 HB2 ALA A 14 2.052 -19.157 -4.182 1.00 32.23 H new ATOM 0 HB3 ALA A 14 2.740 -20.515 -5.104 1.00 32.23 H new ATOM 107 N SER A 15 3.977 -20.070 -7.410 1.00 62.23 N ATOM 108 CA SER A 15 5.073 -20.367 -8.302 1.00 34.04 C ATOM 109 C SER A 15 4.652 -20.445 -9.778 1.00 33.34 C ATOM 110 O SER A 15 5.500 -20.377 -10.676 1.00 32.42 O ATOM 111 CB SER A 15 5.698 -21.677 -7.854 1.00 23.31 C ATOM 112 OG SER A 15 5.976 -21.626 -6.464 1.00 54.13 O ATOM 0 H SER A 15 3.773 -20.830 -6.761 1.00 62.23 H new ATOM 0 HA SER A 15 5.791 -19.549 -8.247 1.00 34.04 H new ATOM 0 HB2 SER A 15 5.023 -22.505 -8.069 1.00 23.31 H new ATOM 0 HB3 SER A 15 6.616 -21.862 -8.411 1.00 23.31 H new ATOM 0 HG SER A 15 6.435 -20.786 -6.253 1.00 54.13 H new ATOM 113 N ALA A 16 3.374 -20.577 -10.035 1.00 4.12 N ATOM 114 CA ALA A 16 2.893 -20.661 -11.399 1.00 60.02 C ATOM 115 C ALA A 16 2.237 -19.352 -11.844 1.00 24.43 C ATOM 116 O ALA A 16 1.761 -19.240 -12.971 1.00 14.43 O ATOM 117 CB ALA A 16 1.926 -21.828 -11.547 1.00 53.34 C ATOM 0 H ALA A 16 2.647 -20.629 -9.322 1.00 4.12 H new ATOM 0 HA ALA A 16 3.751 -20.833 -12.048 1.00 60.02 H new ATOM 0 HB1 ALA A 16 1.572 -21.879 -12.577 1.00 53.34 H new ATOM 0 HB2 ALA A 16 2.435 -22.757 -11.292 1.00 53.34 H new ATOM 0 HB3 ALA A 16 1.077 -21.684 -10.879 1.00 53.34 H new ATOM 118 N THR A 17 2.257 -18.354 -10.991 1.00 31.54 N ATOM 119 CA THR A 17 1.577 -17.120 -11.290 1.00 45.14 C ATOM 120 C THR A 17 2.400 -16.194 -12.224 1.00 73.51 C ATOM 121 O THR A 17 3.266 -15.441 -11.772 1.00 25.15 O ATOM 122 CB THR A 17 1.198 -16.373 -9.996 1.00 4.53 C ATOM 123 OG1 THR A 17 0.677 -17.316 -9.053 1.00 1.10 O ATOM 124 CG2 THR A 17 0.126 -15.326 -10.278 1.00 54.32 C ATOM 0 H THR A 17 2.735 -18.374 -10.090 1.00 31.54 H new ATOM 0 HA THR A 17 0.667 -17.390 -11.825 1.00 45.14 H new ATOM 0 HB THR A 17 2.086 -15.879 -9.601 1.00 4.53 H new ATOM 0 HG1 THR A 17 1.415 -17.828 -8.661 1.00 1.10 H new ATOM 0 HG21 THR A 17 -0.129 -14.808 -9.353 1.00 54.32 H new ATOM 0 HG22 THR A 17 0.503 -14.606 -11.005 1.00 54.32 H new ATOM 0 HG23 THR A 17 -0.763 -15.814 -10.678 1.00 54.32 H new ATOM 125 N GLY A 18 2.172 -16.341 -13.525 1.00 21.32 N ATOM 126 CA GLY A 18 2.711 -15.426 -14.536 1.00 32.43 C ATOM 127 C GLY A 18 4.228 -15.442 -14.704 1.00 51.11 C ATOM 128 O GLY A 18 4.900 -16.399 -14.338 1.00 32.05 O ATOM 0 H GLY A 18 1.608 -17.097 -13.913 1.00 21.32 H new ATOM 0 HA2 GLY A 18 2.255 -15.667 -15.497 1.00 32.43 H new ATOM 0 HA3 GLY A 18 2.403 -14.412 -14.282 1.00 32.43 H new ATOM 129 N VAL A 19 4.745 -14.354 -15.239 1.00 43.14 N ATOM 130 CA VAL A 19 6.162 -14.175 -15.535 1.00 2.21 C ATOM 131 C VAL A 19 6.528 -12.768 -15.061 1.00 11.35 C ATOM 132 O VAL A 19 5.609 -11.992 -14.794 1.00 52.25 O ATOM 133 CB VAL A 19 6.402 -14.271 -17.075 1.00 11.01 C ATOM 134 CG1 VAL A 19 5.735 -13.102 -17.794 1.00 12.52 C ATOM 135 CG2 VAL A 19 7.887 -14.352 -17.418 1.00 74.11 C ATOM 0 H VAL A 19 4.179 -13.543 -15.489 1.00 43.14 H new ATOM 0 HA VAL A 19 6.763 -14.940 -15.043 1.00 2.21 H new ATOM 0 HB VAL A 19 5.945 -15.198 -17.422 1.00 11.01 H new ATOM 0 HG11 VAL A 19 5.913 -13.185 -18.866 1.00 12.52 H new ATOM 0 HG12 VAL A 19 4.662 -13.121 -17.601 1.00 12.52 H new ATOM 0 HG13 VAL A 19 6.153 -12.164 -17.429 1.00 12.52 H new ATOM 0 HG21 VAL A 19 8.008 -14.417 -18.499 1.00 74.11 H new ATOM 0 HG22 VAL A 19 8.395 -13.461 -17.050 1.00 74.11 H new ATOM 0 HG23 VAL A 19 8.321 -15.236 -16.950 1.00 74.11 H new ATOM 136 N LEU A 20 7.844 -12.451 -14.963 1.00 13.31 N ATOM 137 CA LEU A 20 8.378 -11.131 -14.510 1.00 53.44 C ATOM 138 C LEU A 20 8.153 -11.008 -13.017 1.00 71.15 C ATOM 139 O LEU A 20 9.087 -10.999 -12.217 1.00 60.02 O ATOM 140 CB LEU A 20 7.749 -9.947 -15.331 1.00 42.21 C ATOM 141 CG LEU A 20 8.483 -8.576 -15.347 1.00 2.23 C ATOM 142 CD1 LEU A 20 7.781 -7.623 -16.297 1.00 45.04 C ATOM 143 CD2 LEU A 20 8.569 -7.941 -13.969 1.00 33.05 C ATOM 0 H LEU A 20 8.581 -13.115 -15.200 1.00 13.31 H new ATOM 0 HA LEU A 20 9.450 -11.073 -14.699 1.00 53.44 H new ATOM 0 HB2 LEU A 20 7.647 -10.279 -16.364 1.00 42.21 H new ATOM 0 HB3 LEU A 20 6.742 -9.778 -14.949 1.00 42.21 H new ATOM 0 HG LEU A 20 9.502 -8.767 -15.685 1.00 2.23 H new ATOM 0 HD11 LEU A 20 8.301 -6.665 -16.302 1.00 45.04 H new ATOM 0 HD12 LEU A 20 7.785 -8.043 -17.303 1.00 45.04 H new ATOM 0 HD13 LEU A 20 6.752 -7.475 -15.969 1.00 45.04 H new ATOM 0 HD21 LEU A 20 9.091 -6.987 -14.040 1.00 33.05 H new ATOM 0 HD22 LEU A 20 7.564 -7.777 -13.581 1.00 33.05 H new ATOM 0 HD23 LEU A 20 9.114 -8.603 -13.297 1.00 33.05 H new ATOM 144 N TRP A 21 6.936 -10.981 -12.696 1.00 13.41 N ATOM 145 CA TRP A 21 6.451 -11.024 -11.339 1.00 41.12 C ATOM 146 C TRP A 21 6.218 -12.524 -11.158 1.00 30.02 C ATOM 147 O TRP A 21 5.312 -13.118 -11.766 1.00 34.24 O ATOM 148 CB TRP A 21 5.117 -10.248 -11.222 1.00 43.00 C ATOM 149 CG TRP A 21 5.068 -8.998 -12.067 1.00 23.10 C ATOM 150 CD1 TRP A 21 5.649 -7.758 -11.827 1.00 54.52 C ATOM 151 CD2 TRP A 21 4.394 -8.889 -13.324 1.00 32.22 C ATOM 152 NE1 TRP A 21 5.351 -6.913 -12.870 1.00 54.35 N ATOM 153 CE2 TRP A 21 4.592 -7.593 -13.804 1.00 51.14 C ATOM 154 CE3 TRP A 21 3.639 -9.785 -14.089 1.00 44.14 C ATOM 155 CZ2 TRP A 21 4.064 -7.170 -15.029 1.00 51.24 C ATOM 156 CZ3 TRP A 21 3.120 -9.364 -15.291 1.00 75.05 C ATOM 157 CH2 TRP A 21 3.337 -8.068 -15.753 1.00 73.31 C ATOM 0 H TRP A 21 6.188 -10.926 -13.387 1.00 13.41 H new ATOM 0 HA TRP A 21 7.120 -10.580 -10.602 1.00 41.12 H new ATOM 0 HB2 TRP A 21 4.297 -10.905 -11.513 1.00 43.00 H new ATOM 0 HB3 TRP A 21 4.954 -9.978 -10.179 1.00 43.00 H new ATOM 0 HD1 TRP A 21 6.240 -7.500 -10.960 1.00 54.52 H new ATOM 0 HE1 TRP A 21 5.644 -5.939 -12.943 1.00 54.35 H new ATOM 0 HE3 TRP A 21 3.466 -10.793 -13.741 1.00 44.14 H new ATOM 0 HZ2 TRP A 21 4.227 -6.165 -15.389 1.00 51.24 H new ATOM 0 HZ3 TRP A 21 2.535 -10.049 -15.886 1.00 75.05 H new ATOM 0 HH2 TRP A 21 2.921 -7.768 -16.704 1.00 73.31 H new ATOM 158 N ARG A 22 7.095 -13.144 -10.453 1.00 70.13 N ATOM 159 CA ARG A 22 7.176 -14.596 -10.381 1.00 73.22 C ATOM 160 C ARG A 22 6.812 -15.122 -9.061 1.00 44.20 C ATOM 161 O ARG A 22 6.900 -16.333 -8.858 1.00 35.30 O ATOM 162 CB ARG A 22 8.610 -14.999 -10.679 1.00 43.44 C ATOM 163 CG ARG A 22 8.984 -14.999 -12.146 1.00 61.32 C ATOM 164 CD ARG A 22 8.718 -16.355 -12.781 1.00 30.41 C ATOM 165 NE ARG A 22 7.309 -16.761 -12.765 1.00 40.01 N ATOM 166 CZ ARG A 22 6.843 -17.906 -12.245 1.00 42.12 C ATOM 167 NH1 ARG A 22 7.635 -18.710 -11.528 1.00 71.10 N ATOM 168 NH2 ARG A 22 5.584 -18.236 -12.429 1.00 32.33 N ATOM 0 H ARG A 22 7.800 -12.666 -9.891 1.00 70.13 H new ATOM 0 HA ARG A 22 6.470 -15.008 -11.102 1.00 73.22 H new ATOM 0 HB2 ARG A 22 9.279 -14.321 -10.149 1.00 43.44 H new ATOM 0 HB3 ARG A 22 8.782 -15.997 -10.276 1.00 43.44 H new ATOM 0 HG2 ARG A 22 8.414 -14.231 -12.669 1.00 61.32 H new ATOM 0 HG3 ARG A 22 10.038 -14.744 -12.255 1.00 61.32 H new ATOM 0 HD2 ARG A 22 9.067 -16.335 -13.813 1.00 30.41 H new ATOM 0 HD3 ARG A 22 9.308 -17.109 -12.260 1.00 30.41 H new ATOM 0 HE ARG A 22 6.631 -16.123 -13.182 1.00 40.01 H new ATOM 0 HH11 ARG A 22 8.610 -18.456 -11.369 1.00 71.10 H new ATOM 0 HH12 ARG A 22 7.264 -19.577 -11.140 1.00 71.10 H new ATOM 0 HH21 ARG A 22 4.969 -17.623 -12.964 1.00 32.33 H new ATOM 0 HH22 ARG A 22 5.222 -19.105 -12.037 1.00 32.33 H new ATOM 169 N SER A 23 6.363 -14.234 -8.201 1.00 21.32 N ATOM 170 CA SER A 23 6.246 -14.437 -6.782 1.00 33.24 C ATOM 171 C SER A 23 7.633 -14.574 -6.292 1.00 41.10 C ATOM 172 O SER A 23 8.327 -15.563 -6.589 1.00 25.32 O ATOM 173 CB SER A 23 5.317 -15.575 -6.289 1.00 13.24 C ATOM 174 OG SER A 23 5.730 -16.874 -6.672 1.00 23.34 O ATOM 0 H SER A 23 6.056 -13.306 -8.492 1.00 21.32 H new ATOM 0 HA SER A 23 5.720 -13.580 -6.361 1.00 33.24 H new ATOM 0 HB2 SER A 23 5.256 -15.532 -5.202 1.00 13.24 H new ATOM 0 HB3 SER A 23 4.312 -15.399 -6.672 1.00 13.24 H new ATOM 0 HG SER A 23 6.414 -16.807 -7.370 1.00 23.34 H new ATOM 175 N CYS A 24 8.053 -13.568 -5.636 1.00 72.44 N ATOM 176 CA CYS A 24 9.456 -13.402 -5.247 1.00 30.30 C ATOM 177 C CYS A 24 10.133 -14.672 -4.678 1.00 15.12 C ATOM 178 O CYS A 24 11.279 -14.990 -5.046 1.00 44.44 O ATOM 179 CB CYS A 24 9.646 -12.223 -4.327 1.00 22.32 C ATOM 180 SG CYS A 24 11.370 -11.936 -3.916 1.00 44.31 S ATOM 0 H CYS A 24 7.448 -12.805 -5.333 1.00 72.44 H new ATOM 0 HA CYS A 24 9.974 -13.202 -6.185 1.00 30.30 H new ATOM 0 HB2 CYS A 24 9.235 -11.330 -4.798 1.00 22.32 H new ATOM 0 HB3 CYS A 24 9.081 -12.388 -3.410 1.00 22.32 H new ATOM 181 N ASP A 25 9.427 -15.432 -3.848 1.00 40.43 N ATOM 182 CA ASP A 25 10.015 -16.648 -3.292 1.00 11.15 C ATOM 183 C ASP A 25 10.351 -17.663 -4.378 1.00 61.20 C ATOM 184 O ASP A 25 11.451 -18.237 -4.395 1.00 11.04 O ATOM 185 CB ASP A 25 9.151 -17.286 -2.218 1.00 75.31 C ATOM 186 CG ASP A 25 9.883 -18.439 -1.583 1.00 43.01 C ATOM 187 OD1 ASP A 25 10.934 -18.209 -0.948 1.00 21.11 O ATOM 188 OD2 ASP A 25 9.473 -19.585 -1.723 1.00 22.42 O ATOM 0 H ASP A 25 8.471 -15.236 -3.550 1.00 40.43 H new ATOM 0 HA ASP A 25 10.943 -16.335 -2.815 1.00 11.15 H new ATOM 0 HB2 ASP A 25 8.894 -16.546 -1.460 1.00 75.31 H new ATOM 0 HB3 ASP A 25 8.215 -17.635 -2.653 1.00 75.31 H new ATOM 189 N SER A 26 9.446 -17.813 -5.325 1.00 23.42 N ATOM 190 CA SER A 26 9.624 -18.732 -6.415 1.00 2.43 C ATOM 191 C SER A 26 10.744 -18.218 -7.321 1.00 45.42 C ATOM 192 O SER A 26 11.633 -18.975 -7.721 1.00 10.22 O ATOM 193 CB SER A 26 8.322 -18.847 -7.197 1.00 24.54 C ATOM 194 OG SER A 26 7.234 -19.151 -6.332 1.00 64.03 O ATOM 0 H SER A 26 8.567 -17.297 -5.354 1.00 23.42 H new ATOM 0 HA SER A 26 9.894 -19.717 -6.035 1.00 2.43 H new ATOM 0 HB2 SER A 26 8.124 -17.912 -7.721 1.00 24.54 H new ATOM 0 HB3 SER A 26 8.416 -19.624 -7.956 1.00 24.54 H new ATOM 0 HG SER A 26 6.561 -18.441 -6.391 1.00 64.03 H new ATOM 195 N TYR A 27 10.683 -16.920 -7.637 1.00 44.04 N ATOM 196 CA TYR A 27 11.709 -16.239 -8.419 1.00 34.01 C ATOM 197 C TYR A 27 13.108 -16.503 -7.854 1.00 65.30 C ATOM 198 O TYR A 27 13.949 -17.061 -8.541 1.00 40.42 O ATOM 199 CB TYR A 27 11.420 -14.757 -8.405 1.00 5.42 C ATOM 200 CG TYR A 27 12.273 -13.915 -9.342 1.00 0.51 C ATOM 201 CD1 TYR A 27 12.267 -14.156 -10.694 1.00 14.24 C ATOM 202 CD2 TYR A 27 13.085 -12.893 -8.866 1.00 11.21 C ATOM 203 CE1 TYR A 27 13.041 -13.427 -11.556 1.00 53.34 C ATOM 204 CE2 TYR A 27 13.866 -12.139 -9.723 1.00 2.44 C ATOM 205 CZ TYR A 27 13.848 -12.411 -11.068 1.00 54.42 C ATOM 206 OH TYR A 27 14.644 -11.664 -11.932 1.00 12.32 O ATOM 0 H TYR A 27 9.914 -16.313 -7.354 1.00 44.04 H new ATOM 0 HA TYR A 27 11.688 -16.621 -9.440 1.00 34.01 H new ATOM 0 HB2 TYR A 27 10.372 -14.606 -8.662 1.00 5.42 H new ATOM 0 HB3 TYR A 27 11.555 -14.388 -7.388 1.00 5.42 H new ATOM 0 HD1 TYR A 27 11.636 -14.940 -11.087 1.00 14.24 H new ATOM 0 HD2 TYR A 27 13.107 -12.683 -7.807 1.00 11.21 H new ATOM 0 HE1 TYR A 27 13.023 -13.643 -12.614 1.00 53.34 H new ATOM 0 HE2 TYR A 27 14.485 -11.343 -9.337 1.00 2.44 H new ATOM 0 HH TYR A 27 15.143 -10.994 -11.420 1.00 12.32 H new ATOM 207 N CYS A 28 13.342 -16.137 -6.610 1.00 23.23 N ATOM 208 CA CYS A 28 14.622 -16.370 -5.986 1.00 52.33 C ATOM 209 C CYS A 28 15.024 -17.841 -5.957 1.00 62.53 C ATOM 210 O CYS A 28 16.191 -18.144 -6.180 1.00 71.53 O ATOM 211 CB CYS A 28 14.693 -15.771 -4.591 1.00 21.32 C ATOM 212 SG CYS A 28 14.651 -13.963 -4.541 1.00 34.21 S ATOM 0 H CYS A 28 12.657 -15.675 -6.012 1.00 23.23 H new ATOM 0 HA CYS A 28 15.346 -15.857 -6.619 1.00 52.33 H new ATOM 0 HB2 CYS A 28 13.861 -16.157 -4.002 1.00 21.32 H new ATOM 0 HB3 CYS A 28 15.609 -16.113 -4.110 1.00 21.32 H new ATOM 213 N LYS A 29 14.078 -18.759 -5.741 1.00 25.04 N ATOM 214 CA LYS A 29 14.424 -20.176 -5.656 1.00 75.51 C ATOM 215 C LYS A 29 14.855 -20.763 -6.985 1.00 74.35 C ATOM 216 O LYS A 29 15.786 -21.546 -7.049 1.00 54.43 O ATOM 217 CB LYS A 29 13.265 -20.962 -5.116 1.00 4.44 C ATOM 218 CG LYS A 29 13.122 -20.934 -3.615 1.00 20.41 C ATOM 219 CD LYS A 29 11.773 -21.474 -3.257 1.00 32.14 C ATOM 220 CE LYS A 29 11.642 -21.834 -1.772 1.00 55.21 C ATOM 221 NZ LYS A 29 11.880 -20.693 -0.872 1.00 4.21 N ATOM 0 H LYS A 29 13.086 -18.551 -5.624 1.00 25.04 H new ATOM 0 HA LYS A 29 15.276 -20.245 -4.980 1.00 75.51 H new ATOM 0 HB2 LYS A 29 12.347 -20.579 -5.561 1.00 4.44 H new ATOM 0 HB3 LYS A 29 13.367 -21.999 -5.437 1.00 4.44 H new ATOM 0 HG2 LYS A 29 13.905 -21.531 -3.149 1.00 20.41 H new ATOM 0 HG3 LYS A 29 13.234 -19.916 -3.243 1.00 20.41 H new ATOM 0 HD2 LYS A 29 11.013 -20.736 -3.514 1.00 32.14 H new ATOM 0 HD3 LYS A 29 11.572 -22.361 -3.858 1.00 32.14 H new ATOM 0 HE2 LYS A 29 10.643 -22.230 -1.588 1.00 55.21 H new ATOM 0 HE3 LYS A 29 12.349 -22.629 -1.534 1.00 55.21 H new ATOM 0 HZ1 LYS A 29 11.321 -20.813 -0.003 1.00 4.21 H new ATOM 0 HZ2 LYS A 29 12.890 -20.647 -0.630 1.00 4.21 H new ATOM 0 HZ3 LYS A 29 11.597 -19.812 -1.346 1.00 4.21 H new ATOM 222 N VAL A 30 14.184 -20.391 -8.030 1.00 62.20 N ATOM 223 CA VAL A 30 14.433 -20.908 -9.298 1.00 1.42 C ATOM 224 C VAL A 30 15.542 -20.124 -10.010 1.00 44.11 C ATOM 225 O VAL A 30 16.532 -20.698 -10.509 1.00 53.14 O ATOM 226 CB VAL A 30 13.125 -20.813 -10.081 1.00 31.34 C ATOM 227 CG1 VAL A 30 13.330 -21.204 -11.479 1.00 41.34 C ATOM 228 CG2 VAL A 30 12.043 -21.658 -9.423 1.00 71.14 C ATOM 0 H VAL A 30 13.433 -19.701 -8.002 1.00 62.20 H new ATOM 0 HA VAL A 30 14.774 -21.941 -9.226 1.00 1.42 H new ATOM 0 HB VAL A 30 12.790 -19.776 -10.071 1.00 31.34 H new ATOM 0 HG11 VAL A 30 12.387 -21.130 -12.020 1.00 41.34 H new ATOM 0 HG12 VAL A 30 14.064 -20.542 -11.938 1.00 41.34 H new ATOM 0 HG13 VAL A 30 13.692 -22.231 -11.520 1.00 41.34 H new ATOM 0 HG21 VAL A 30 11.119 -21.577 -9.996 1.00 71.14 H new ATOM 0 HG22 VAL A 30 12.362 -22.700 -9.395 1.00 71.14 H new ATOM 0 HG23 VAL A 30 11.872 -21.303 -8.407 1.00 71.14 H new ATOM 229 N CYS A 31 15.404 -18.832 -10.012 1.00 72.25 N ATOM 230 CA CYS A 31 16.273 -17.982 -10.772 1.00 23.32 C ATOM 231 C CYS A 31 17.660 -17.827 -10.134 1.00 13.22 C ATOM 232 O CYS A 31 18.663 -18.135 -10.760 1.00 63.11 O ATOM 233 CB CYS A 31 15.586 -16.639 -11.057 1.00 73.12 C ATOM 234 SG CYS A 31 13.866 -16.808 -11.701 1.00 22.40 S ATOM 0 H CYS A 31 14.685 -18.336 -9.486 1.00 72.25 H new ATOM 0 HA CYS A 31 16.462 -18.465 -11.731 1.00 23.32 H new ATOM 0 HB2 CYS A 31 15.565 -16.050 -10.140 1.00 73.12 H new ATOM 0 HB3 CYS A 31 16.182 -16.082 -11.780 1.00 73.12 H new ATOM 235 N PHE A 32 17.713 -17.442 -8.884 1.00 73.22 N ATOM 236 CA PHE A 32 18.989 -17.198 -8.220 1.00 32.04 C ATOM 237 C PHE A 32 19.323 -18.356 -7.288 1.00 50.02 C ATOM 238 O PHE A 32 20.290 -18.309 -6.532 1.00 41.44 O ATOM 239 CB PHE A 32 18.928 -15.896 -7.427 1.00 63.43 C ATOM 240 CG PHE A 32 18.618 -14.671 -8.242 1.00 42.40 C ATOM 241 CD1 PHE A 32 17.310 -14.301 -8.501 1.00 14.33 C ATOM 242 CD2 PHE A 32 19.637 -13.870 -8.718 1.00 73.43 C ATOM 243 CE1 PHE A 32 17.027 -13.163 -9.214 1.00 4.24 C ATOM 244 CE2 PHE A 32 19.357 -12.732 -9.440 1.00 45.22 C ATOM 245 CZ PHE A 32 18.051 -12.376 -9.686 1.00 72.54 C ATOM 0 H PHE A 32 16.893 -17.288 -8.297 1.00 73.22 H new ATOM 0 HA PHE A 32 19.768 -17.115 -8.978 1.00 32.04 H new ATOM 0 HB2 PHE A 32 18.172 -15.997 -6.648 1.00 63.43 H new ATOM 0 HB3 PHE A 32 19.884 -15.748 -6.925 1.00 63.43 H new ATOM 0 HD1 PHE A 32 16.501 -14.916 -8.137 1.00 14.33 H new ATOM 0 HD2 PHE A 32 20.664 -14.139 -8.522 1.00 73.43 H new ATOM 0 HE1 PHE A 32 16.001 -12.886 -9.404 1.00 4.24 H new ATOM 0 HE2 PHE A 32 20.163 -12.118 -9.814 1.00 45.22 H new ATOM 0 HZ PHE A 32 17.831 -11.481 -10.248 1.00 72.54 H new ATOM 246 N LYS A 33 18.516 -19.406 -7.408 1.00 54.21 N ATOM 247 CA LYS A 33 18.561 -20.630 -6.602 1.00 13.10 C ATOM 248 C LYS A 33 18.844 -20.358 -5.130 1.00 10.43 C ATOM 249 O LYS A 33 19.659 -21.011 -4.486 1.00 24.42 O ATOM 250 CB LYS A 33 19.481 -21.625 -7.280 1.00 1.30 C ATOM 251 CG LYS A 33 18.960 -21.876 -8.690 1.00 22.23 C ATOM 252 CD LYS A 33 19.918 -22.603 -9.587 1.00 25.51 C ATOM 253 CE LYS A 33 19.435 -22.540 -11.040 1.00 53.54 C ATOM 254 NZ LYS A 33 19.152 -21.132 -11.473 1.00 71.11 N ATOM 0 H LYS A 33 17.773 -19.431 -8.106 1.00 54.21 H new ATOM 0 HA LYS A 33 17.574 -21.092 -6.562 1.00 13.10 H new ATOM 0 HB2 LYS A 33 20.499 -21.238 -7.315 1.00 1.30 H new ATOM 0 HB3 LYS A 33 19.514 -22.557 -6.716 1.00 1.30 H new ATOM 0 HG2 LYS A 33 18.036 -22.450 -8.625 1.00 22.23 H new ATOM 0 HG3 LYS A 33 18.709 -20.919 -9.147 1.00 22.23 H new ATOM 0 HD2 LYS A 33 20.910 -22.160 -9.507 1.00 25.51 H new ATOM 0 HD3 LYS A 33 20.007 -23.642 -9.270 1.00 25.51 H new ATOM 0 HE2 LYS A 33 20.191 -22.976 -11.693 1.00 53.54 H new ATOM 0 HE3 LYS A 33 18.533 -23.142 -11.150 1.00 53.54 H new ATOM 0 HZ1 LYS A 33 19.244 -21.062 -12.507 1.00 71.11 H new ATOM 0 HZ2 LYS A 33 18.185 -20.870 -11.193 1.00 71.11 H new ATOM 0 HZ3 LYS A 33 19.830 -20.487 -11.020 1.00 71.11 H new ATOM 255 N ALA A 34 18.111 -19.384 -4.629 1.00 74.11 N ATOM 256 CA ALA A 34 18.196 -18.874 -3.278 1.00 30.32 C ATOM 257 C ALA A 34 17.499 -19.775 -2.267 1.00 24.15 C ATOM 258 O ALA A 34 16.966 -20.834 -2.606 1.00 31.24 O ATOM 259 CB ALA A 34 17.595 -17.461 -3.249 1.00 25.22 C ATOM 0 H ALA A 34 17.403 -18.903 -5.184 1.00 74.11 H new ATOM 0 HA ALA A 34 19.246 -18.846 -2.987 1.00 30.32 H new ATOM 0 HB1 ALA A 34 17.652 -17.062 -2.236 1.00 25.22 H new ATOM 0 HB2 ALA A 34 18.154 -16.814 -3.925 1.00 25.22 H new ATOM 0 HB3 ALA A 34 16.553 -17.502 -3.565 1.00 25.22 H new ATOM 260 N ASP A 35 17.535 -19.351 -1.023 1.00 53.42 N ATOM 261 CA ASP A 35 16.885 -20.033 0.072 1.00 41.34 C ATOM 262 C ASP A 35 15.458 -19.667 -0.014 1.00 63.22 C ATOM 263 O ASP A 35 14.561 -20.523 -0.063 1.00 53.10 O ATOM 264 CB ASP A 35 17.478 -19.530 1.394 1.00 3.55 C ATOM 265 CG ASP A 35 16.799 -20.030 2.649 1.00 31.04 C ATOM 266 OD1 ASP A 35 15.806 -19.400 3.101 1.00 73.52 O ATOM 267 OD2 ASP A 35 17.305 -20.981 3.233 1.00 52.32 O ATOM 0 H ASP A 35 18.028 -18.504 -0.739 1.00 53.42 H new ATOM 0 HA ASP A 35 17.019 -21.114 0.025 1.00 41.34 H new ATOM 0 HB2 ASP A 35 18.529 -19.817 1.432 1.00 3.55 H new ATOM 0 HB3 ASP A 35 17.445 -18.440 1.395 1.00 3.55 H new ATOM 268 N ARG A 36 15.237 -18.388 -0.139 1.00 20.02 N ATOM 269 CA ARG A 36 13.908 -17.909 -0.257 1.00 31.21 C ATOM 270 C ARG A 36 13.944 -16.588 -0.957 1.00 21.04 C ATOM 271 O ARG A 36 15.038 -16.006 -1.153 1.00 24.12 O ATOM 272 CB ARG A 36 13.263 -17.765 1.139 1.00 12.24 C ATOM 273 CG ARG A 36 13.518 -16.435 1.806 1.00 11.41 C ATOM 274 CD ARG A 36 13.306 -16.493 3.283 1.00 52.20 C ATOM 275 NE ARG A 36 14.369 -17.259 3.906 1.00 23.13 N ATOM 276 CZ ARG A 36 15.096 -16.859 4.928 1.00 43.12 C ATOM 277 NH1 ARG A 36 14.954 -15.607 5.429 1.00 30.41 N ATOM 278 NH2 ARG A 36 16.028 -17.684 5.398 1.00 74.42 N ATOM 0 H ARG A 36 15.962 -17.671 -0.161 1.00 20.02 H new ATOM 0 HA ARG A 36 13.307 -18.615 -0.830 1.00 31.21 H new ATOM 0 HB2 ARG A 36 12.187 -17.911 1.046 1.00 12.24 H new ATOM 0 HB3 ARG A 36 13.638 -18.560 1.784 1.00 12.24 H new ATOM 0 HG2 ARG A 36 14.540 -16.118 1.600 1.00 11.41 H new ATOM 0 HG3 ARG A 36 12.858 -15.682 1.375 1.00 11.41 H new ATOM 0 HD2 ARG A 36 13.283 -15.484 3.696 1.00 52.20 H new ATOM 0 HD3 ARG A 36 12.341 -16.949 3.503 1.00 52.20 H new ATOM 0 HE ARG A 36 14.569 -18.182 3.521 1.00 23.13 H new ATOM 0 HH11 ARG A 36 14.279 -14.965 5.014 1.00 30.41 H new ATOM 0 HH12 ARG A 36 15.522 -15.307 6.221 1.00 30.41 H new ATOM 0 HH21 ARG A 36 16.164 -18.599 4.967 1.00 74.42 H new ATOM 0 HH22 ARG A 36 16.607 -17.402 6.189 1.00 74.42 H new ATOM 279 N GLY A 37 12.805 -16.149 -1.348 1.00 3.34 N ATOM 280 CA GLY A 37 12.655 -14.859 -1.898 1.00 60.21 C ATOM 281 C GLY A 37 11.678 -14.127 -1.066 1.00 25.00 C ATOM 282 O GLY A 37 10.555 -14.583 -0.888 1.00 30.32 O ATOM 0 H GLY A 37 11.939 -16.686 -1.293 1.00 3.34 H new ATOM 0 HA2 GLY A 37 13.611 -14.336 -1.914 1.00 60.21 H new ATOM 0 HA3 GLY A 37 12.308 -14.921 -2.930 1.00 60.21 H new ATOM 283 N GLU A 38 12.077 -13.038 -0.518 1.00 42.11 N ATOM 284 CA GLU A 38 11.192 -12.326 0.336 1.00 14.33 C ATOM 285 C GLU A 38 10.580 -11.185 -0.436 1.00 61.40 C ATOM 286 O GLU A 38 11.245 -10.195 -0.787 1.00 33.33 O ATOM 287 CB GLU A 38 11.922 -11.873 1.597 1.00 2.51 C ATOM 288 CG GLU A 38 12.609 -13.043 2.307 1.00 62.40 C ATOM 289 CD GLU A 38 13.442 -12.647 3.495 1.00 20.51 C ATOM 290 OE1 GLU A 38 13.986 -11.528 3.491 1.00 42.11 O ATOM 291 OE2 GLU A 38 13.585 -13.467 4.444 1.00 33.32 O ATOM 0 H GLU A 38 13.000 -12.621 -0.642 1.00 42.11 H new ATOM 0 HA GLU A 38 10.380 -12.972 0.671 1.00 14.33 H new ATOM 0 HB2 GLU A 38 12.665 -11.119 1.336 1.00 2.51 H new ATOM 0 HB3 GLU A 38 11.214 -11.400 2.277 1.00 2.51 H new ATOM 0 HG2 GLU A 38 11.848 -13.752 2.633 1.00 62.40 H new ATOM 0 HG3 GLU A 38 13.244 -13.564 1.591 1.00 62.40 H new ATOM 292 N CYS A 39 9.328 -11.394 -0.740 1.00 0.33 N ATOM 293 CA CYS A 39 8.491 -10.512 -1.514 1.00 74.12 C ATOM 294 C CYS A 39 8.041 -9.389 -0.614 1.00 23.12 C ATOM 295 O CYS A 39 7.517 -9.646 0.470 1.00 32.31 O ATOM 296 CB CYS A 39 7.248 -11.322 -1.906 1.00 13.30 C ATOM 297 SG CYS A 39 7.519 -13.142 -1.892 1.00 24.33 S ATOM 0 H CYS A 39 8.834 -12.233 -0.437 1.00 0.33 H new ATOM 0 HA CYS A 39 9.015 -10.120 -2.386 1.00 74.12 H new ATOM 0 HB2 CYS A 39 6.436 -11.079 -1.221 1.00 13.30 H new ATOM 0 HB3 CYS A 39 6.927 -11.019 -2.902 1.00 13.30 H new ATOM 298 N TYR A 40 8.270 -8.174 -1.005 1.00 23.12 N ATOM 299 CA TYR A 40 7.819 -7.059 -0.208 1.00 44.42 C ATOM 300 C TYR A 40 7.310 -5.977 -1.133 1.00 73.32 C ATOM 301 O TYR A 40 7.633 -5.977 -2.297 1.00 71.45 O ATOM 302 CB TYR A 40 8.952 -6.530 0.705 1.00 52.12 C ATOM 303 CG TYR A 40 9.970 -5.634 0.006 1.00 30.02 C ATOM 304 CD1 TYR A 40 10.669 -6.106 -1.090 1.00 41.13 C ATOM 305 CD2 TYR A 40 10.261 -4.349 0.458 1.00 34.31 C ATOM 306 CE1 TYR A 40 11.623 -5.339 -1.713 1.00 73.12 C ATOM 307 CE2 TYR A 40 11.216 -3.583 -0.168 1.00 2.42 C ATOM 308 CZ TYR A 40 11.895 -4.083 -1.247 1.00 42.23 C ATOM 309 OH TYR A 40 12.859 -3.317 -1.867 1.00 52.12 O ATOM 0 H TYR A 40 8.762 -7.923 -1.863 1.00 23.12 H new ATOM 0 HA TYR A 40 7.011 -7.384 0.448 1.00 44.42 H new ATOM 0 HB2 TYR A 40 8.506 -5.974 1.530 1.00 52.12 H new ATOM 0 HB3 TYR A 40 9.476 -7.381 1.140 1.00 52.12 H new ATOM 0 HD1 TYR A 40 10.461 -7.098 -1.464 1.00 41.13 H new ATOM 0 HD2 TYR A 40 9.731 -3.950 1.310 1.00 34.31 H new ATOM 0 HE1 TYR A 40 12.156 -5.727 -2.568 1.00 73.12 H new ATOM 0 HE2 TYR A 40 11.431 -2.587 0.191 1.00 2.42 H new ATOM 0 HH TYR A 40 12.929 -2.451 -1.414 1.00 52.12 H new ATOM 310 N ASP A 41 6.513 -5.092 -0.652 1.00 55.03 N ATOM 311 CA ASP A 41 6.076 -4.022 -1.506 1.00 41.32 C ATOM 312 C ASP A 41 7.128 -2.971 -1.602 1.00 4.22 C ATOM 313 O ASP A 41 7.632 -2.489 -0.591 1.00 31.41 O ATOM 314 CB ASP A 41 4.755 -3.437 -1.081 1.00 5.34 C ATOM 315 CG ASP A 41 4.371 -2.208 -1.873 1.00 55.30 C ATOM 316 OD1 ASP A 41 4.641 -2.152 -3.073 1.00 10.30 O ATOM 317 OD2 ASP A 41 3.746 -1.289 -1.328 1.00 51.51 O ATOM 0 H ASP A 41 6.152 -5.076 0.302 1.00 55.03 H new ATOM 0 HA ASP A 41 5.914 -4.448 -2.496 1.00 41.32 H new ATOM 0 HB2 ASP A 41 3.977 -4.192 -1.192 1.00 5.34 H new ATOM 0 HB3 ASP A 41 4.801 -3.181 -0.023 1.00 5.34 H new ATOM 318 N SER A 42 7.488 -2.691 -2.818 1.00 4.13 N ATOM 319 CA SER A 42 8.467 -1.691 -3.162 1.00 41.23 C ATOM 320 C SER A 42 8.090 -0.278 -2.609 1.00 41.22 C ATOM 321 O SER A 42 7.116 0.343 -3.061 1.00 44.41 O ATOM 322 CB SER A 42 8.602 -1.658 -4.681 1.00 32.50 C ATOM 323 OG SER A 42 8.999 -2.935 -5.181 1.00 10.33 O ATOM 0 H SER A 42 7.097 -3.167 -3.631 1.00 4.13 H new ATOM 0 HA SER A 42 9.418 -1.956 -2.701 1.00 41.23 H new ATOM 0 HB2 SER A 42 7.652 -1.366 -5.129 1.00 32.50 H new ATOM 0 HB3 SER A 42 9.335 -0.905 -4.969 1.00 32.50 H new ATOM 0 HG SER A 42 8.208 -3.504 -5.291 1.00 10.33 H new ATOM 324 N PRO A 43 8.846 0.228 -1.596 1.00 71.14 N ATOM 325 CA PRO A 43 8.609 1.541 -1.021 1.00 24.44 C ATOM 326 C PRO A 43 9.417 2.643 -1.726 1.00 30.10 C ATOM 327 O PRO A 43 8.929 3.750 -1.920 1.00 61.55 O ATOM 328 CB PRO A 43 9.071 1.383 0.435 1.00 24.21 C ATOM 329 CG PRO A 43 9.940 0.152 0.478 1.00 53.34 C ATOM 330 CD PRO A 43 9.929 -0.473 -0.900 1.00 63.02 C ATOM 0 HA PRO A 43 7.567 1.846 -1.120 1.00 24.44 H new ATOM 0 HB2 PRO A 43 9.627 2.262 0.763 1.00 24.21 H new ATOM 0 HB3 PRO A 43 8.217 1.278 1.104 1.00 24.21 H new ATOM 0 HG2 PRO A 43 10.957 0.413 0.771 1.00 53.34 H new ATOM 0 HG3 PRO A 43 9.566 -0.553 1.220 1.00 53.34 H new ATOM 0 HD2 PRO A 43 10.884 -0.338 -1.408 1.00 63.02 H new ATOM 0 HD3 PRO A 43 9.744 -1.546 -0.851 1.00 63.02 H new ATOM 331 N SER A 44 10.657 2.322 -2.108 1.00 12.10 N ATOM 332 CA SER A 44 11.529 3.250 -2.803 1.00 2.22 C ATOM 333 C SER A 44 10.996 3.495 -4.215 1.00 71.00 C ATOM 334 O SER A 44 11.271 4.509 -4.836 1.00 23.13 O ATOM 335 CB SER A 44 12.928 2.655 -2.850 1.00 54.23 C ATOM 336 OG SER A 44 13.318 2.228 -1.549 1.00 70.43 O ATOM 0 H SER A 44 11.077 1.408 -1.940 1.00 12.10 H new ATOM 0 HA SER A 44 11.562 4.206 -2.281 1.00 2.22 H new ATOM 0 HB2 SER A 44 12.951 1.812 -3.541 1.00 54.23 H new ATOM 0 HB3 SER A 44 13.635 3.395 -3.226 1.00 54.23 H new ATOM 0 HG SER A 44 14.219 1.844 -1.587 1.00 70.43 H new ATOM 337 N LEU A 45 10.219 2.553 -4.687 1.00 13.21 N ATOM 338 CA LEU A 45 9.548 2.668 -5.937 1.00 3.41 C ATOM 339 C LEU A 45 8.085 2.503 -5.593 1.00 13.24 C ATOM 340 O LEU A 45 7.484 1.463 -5.827 1.00 11.11 O ATOM 341 CB LEU A 45 10.044 1.579 -6.937 1.00 24.23 C ATOM 342 CG LEU A 45 9.791 1.797 -8.462 1.00 24.24 C ATOM 343 CD1 LEU A 45 10.438 0.679 -9.259 1.00 63.11 C ATOM 344 CD2 LEU A 45 8.307 1.879 -8.814 1.00 22.32 C ATOM 0 H LEU A 45 10.039 1.676 -4.199 1.00 13.21 H new ATOM 0 HA LEU A 45 9.739 3.619 -6.434 1.00 3.41 H new ATOM 0 HB2 LEU A 45 11.118 1.461 -6.793 1.00 24.23 H new ATOM 0 HB3 LEU A 45 9.579 0.634 -6.656 1.00 24.23 H new ATOM 0 HG LEU A 45 10.238 2.757 -8.720 1.00 24.24 H new ATOM 0 HD11 LEU A 45 10.257 0.838 -10.322 1.00 63.11 H new ATOM 0 HD12 LEU A 45 11.512 0.672 -9.071 1.00 63.11 H new ATOM 0 HD13 LEU A 45 10.011 -0.277 -8.957 1.00 63.11 H new ATOM 0 HD21 LEU A 45 8.196 2.031 -9.888 1.00 22.32 H new ATOM 0 HD22 LEU A 45 7.813 0.951 -8.526 1.00 22.32 H new ATOM 0 HD23 LEU A 45 7.852 2.713 -8.280 1.00 22.32 H new ATOM 345 N ASN A 46 7.563 3.486 -4.900 1.00 63.33 N ATOM 346 CA ASN A 46 6.184 3.457 -4.469 1.00 22.11 C ATOM 347 C ASN A 46 5.296 3.826 -5.626 1.00 61.22 C ATOM 348 O ASN A 46 5.036 5.000 -5.887 1.00 64.32 O ATOM 349 CB ASN A 46 5.941 4.399 -3.278 1.00 60.04 C ATOM 350 CG ASN A 46 4.520 4.316 -2.734 1.00 0.31 C ATOM 351 OD1 ASN A 46 3.876 3.264 -2.778 1.00 61.25 O ATOM 352 ND2 ASN A 46 4.021 5.417 -2.220 1.00 34.43 N ATOM 0 H ASN A 46 8.076 4.322 -4.620 1.00 63.33 H new ATOM 0 HA ASN A 46 5.947 2.448 -4.132 1.00 22.11 H new ATOM 0 HB2 ASN A 46 6.644 4.157 -2.481 1.00 60.04 H new ATOM 0 HB3 ASN A 46 6.148 5.424 -3.585 1.00 60.04 H new ATOM 0 HD21 ASN A 46 3.074 5.419 -1.841 1.00 34.43 H new ATOM 0 HD22 ASN A 46 4.581 6.269 -2.199 1.00 34.43 H new ATOM 353 N CYS A 47 4.911 2.837 -6.368 1.00 2.33 N ATOM 354 CA CYS A 47 4.103 3.052 -7.515 1.00 61.23 C ATOM 355 C CYS A 47 2.626 3.127 -7.125 1.00 5.51 C ATOM 356 O CYS A 47 2.181 2.419 -6.220 1.00 52.55 O ATOM 357 CB CYS A 47 4.335 1.927 -8.533 1.00 32.44 C ATOM 358 SG CYS A 47 3.708 0.276 -8.046 1.00 1.30 S ATOM 0 H CYS A 47 5.150 1.861 -6.192 1.00 2.33 H new ATOM 0 HA CYS A 47 4.382 4.002 -7.970 1.00 61.23 H new ATOM 0 HB2 CYS A 47 3.865 2.211 -9.475 1.00 32.44 H new ATOM 0 HB3 CYS A 47 5.406 1.848 -8.722 1.00 32.44 H new ATOM 359 N PRO A 48 1.845 4.014 -7.762 1.00 12.32 N ATOM 360 CA PRO A 48 0.400 4.081 -7.540 1.00 43.14 C ATOM 361 C PRO A 48 -0.312 2.905 -8.241 1.00 2.11 C ATOM 362 O PRO A 48 -1.014 3.082 -9.240 1.00 35.13 O ATOM 363 CB PRO A 48 0.000 5.423 -8.170 1.00 60.34 C ATOM 364 CG PRO A 48 1.040 5.681 -9.209 1.00 72.30 C ATOM 365 CD PRO A 48 2.313 5.063 -8.696 1.00 11.42 C ATOM 0 HA PRO A 48 0.125 4.013 -6.487 1.00 43.14 H new ATOM 0 HB2 PRO A 48 -0.996 5.372 -8.611 1.00 60.34 H new ATOM 0 HB3 PRO A 48 -0.021 6.219 -7.425 1.00 60.34 H new ATOM 0 HG2 PRO A 48 0.752 5.242 -10.164 1.00 72.30 H new ATOM 0 HG3 PRO A 48 1.167 6.751 -9.375 1.00 72.30 H new ATOM 0 HD2 PRO A 48 2.908 4.641 -9.506 1.00 11.42 H new ATOM 0 HD3 PRO A 48 2.939 5.798 -8.191 1.00 11.42 H new ATOM 366 N HIS A 49 -0.069 1.697 -7.718 1.00 10.15 N ATOM 367 CA HIS A 49 -0.577 0.408 -8.232 1.00 70.22 C ATOM 368 C HIS A 49 -0.250 0.137 -9.696 1.00 13.53 C ATOM 369 O HIS A 49 -0.927 -0.668 -10.346 1.00 14.13 O ATOM 370 CB HIS A 49 -2.069 0.087 -7.914 1.00 21.05 C ATOM 371 CG HIS A 49 -3.102 0.998 -8.519 1.00 32.31 C ATOM 372 ND1 HIS A 49 -3.531 0.878 -9.824 1.00 44.14 N ATOM 373 CD2 HIS A 49 -3.788 2.045 -7.997 1.00 30.41 C ATOM 374 CE1 HIS A 49 -4.426 1.807 -10.083 1.00 11.41 C ATOM 375 NE2 HIS A 49 -4.605 2.531 -8.992 1.00 74.55 N ATOM 0 H HIS A 49 0.512 1.580 -6.888 1.00 10.15 H new ATOM 0 HA HIS A 49 0.001 -0.301 -7.639 1.00 70.22 H new ATOM 0 HB2 HIS A 49 -2.276 -0.930 -8.247 1.00 21.05 H new ATOM 0 HB3 HIS A 49 -2.196 0.100 -6.832 1.00 21.05 H new ATOM 0 HD2 HIS A 49 -3.708 2.426 -6.990 1.00 30.41 H new ATOM 0 HE1 HIS A 49 -4.929 1.953 -11.027 1.00 11.41 H new ATOM 0 HE2 HIS A 49 -5.244 3.321 -8.902 1.00 74.55 H new ATOM 376 N ARG A 50 0.791 0.772 -10.223 1.00 32.24 N ATOM 377 CA ARG A 50 1.298 0.374 -11.529 1.00 4.33 C ATOM 378 C ARG A 50 2.242 -0.793 -11.307 1.00 0.35 C ATOM 379 O ARG A 50 3.465 -0.706 -11.459 1.00 30.51 O ATOM 380 CB ARG A 50 1.928 1.522 -12.370 1.00 13.43 C ATOM 381 CG ARG A 50 2.969 2.355 -11.655 1.00 4.35 C ATOM 382 CD ARG A 50 3.650 3.351 -12.586 1.00 21.12 C ATOM 383 NE ARG A 50 4.618 2.700 -13.493 1.00 11.33 N ATOM 384 CZ ARG A 50 5.182 3.270 -14.577 1.00 53.42 C ATOM 385 NH1 ARG A 50 4.763 4.470 -15.011 1.00 63.43 N ATOM 386 NH2 ARG A 50 6.152 2.631 -15.227 1.00 52.43 N ATOM 0 H ARG A 50 1.289 1.544 -9.780 1.00 32.24 H new ATOM 0 HA ARG A 50 0.456 0.074 -12.153 1.00 4.33 H new ATOM 0 HB2 ARG A 50 2.383 1.089 -13.261 1.00 13.43 H new ATOM 0 HB3 ARG A 50 1.129 2.182 -12.709 1.00 13.43 H new ATOM 0 HG2 ARG A 50 2.498 2.893 -10.832 1.00 4.35 H new ATOM 0 HG3 ARG A 50 3.720 1.697 -11.218 1.00 4.35 H new ATOM 0 HD2 ARG A 50 2.894 3.869 -13.176 1.00 21.12 H new ATOM 0 HD3 ARG A 50 4.164 4.107 -11.992 1.00 21.12 H new ATOM 0 HE ARG A 50 4.882 1.738 -13.281 1.00 11.33 H new ATOM 0 HH11 ARG A 50 4.013 4.957 -14.520 1.00 63.43 H new ATOM 0 HH12 ARG A 50 5.195 4.895 -15.832 1.00 63.43 H new ATOM 0 HH21 ARG A 50 6.465 1.715 -14.904 1.00 52.43 H new ATOM 0 HH22 ARG A 50 6.583 3.057 -16.048 1.00 52.43 H new ATOM 387 N LEU A 51 1.610 -1.851 -10.850 1.00 15.53 N ATOM 388 CA LEU A 51 2.201 -3.094 -10.415 1.00 54.01 C ATOM 389 C LEU A 51 3.224 -3.675 -11.372 1.00 14.44 C ATOM 390 O LEU A 51 4.208 -4.206 -10.897 1.00 21.13 O ATOM 391 CB LEU A 51 1.138 -4.123 -10.231 1.00 51.21 C ATOM 392 CG LEU A 51 1.084 -4.797 -8.902 1.00 34.44 C ATOM 393 CD1 LEU A 51 2.430 -5.444 -8.617 1.00 3.12 C ATOM 394 CD2 LEU A 51 0.664 -3.787 -7.830 1.00 63.15 C ATOM 0 H LEU A 51 0.593 -1.864 -10.767 1.00 15.53 H new ATOM 0 HA LEU A 51 2.716 -2.850 -9.486 1.00 54.01 H new ATOM 0 HB2 LEU A 51 0.172 -3.652 -10.413 1.00 51.21 H new ATOM 0 HB3 LEU A 51 1.269 -4.888 -10.996 1.00 51.21 H new ATOM 0 HG LEU A 51 0.336 -5.590 -8.898 1.00 34.44 H new ATOM 0 HD11 LEU A 51 2.398 -5.939 -7.646 1.00 3.12 H new ATOM 0 HD12 LEU A 51 2.652 -6.178 -9.391 1.00 3.12 H new ATOM 0 HD13 LEU A 51 3.207 -4.679 -8.609 1.00 3.12 H new ATOM 0 HD21 LEU A 51 0.625 -4.282 -6.859 1.00 63.15 H new ATOM 0 HD22 LEU A 51 1.388 -2.973 -7.794 1.00 63.15 H new ATOM 0 HD23 LEU A 51 -0.320 -3.387 -8.073 1.00 63.15 H new ATOM 395 N PRO A 52 2.926 -3.716 -12.718 1.00 74.44 N ATOM 396 CA PRO A 52 3.830 -4.114 -13.806 1.00 64.54 C ATOM 397 C PRO A 52 5.350 -3.863 -13.637 1.00 1.54 C ATOM 398 O PRO A 52 6.145 -4.337 -14.436 1.00 73.24 O ATOM 399 CB PRO A 52 3.298 -3.312 -14.983 1.00 64.51 C ATOM 400 CG PRO A 52 1.831 -3.167 -14.725 1.00 73.31 C ATOM 401 CD PRO A 52 1.592 -3.550 -13.280 1.00 40.43 C ATOM 0 HA PRO A 52 3.812 -5.201 -13.891 1.00 64.54 H new ATOM 0 HB2 PRO A 52 3.785 -2.339 -15.049 1.00 64.51 H new ATOM 0 HB3 PRO A 52 3.483 -3.826 -15.926 1.00 64.51 H new ATOM 0 HG2 PRO A 52 1.507 -2.143 -14.911 1.00 73.31 H new ATOM 0 HG3 PRO A 52 1.257 -3.809 -15.393 1.00 73.31 H new ATOM 0 HD2 PRO A 52 1.033 -2.777 -12.752 1.00 40.43 H new ATOM 0 HD3 PRO A 52 1.013 -4.470 -13.204 1.00 40.43 H new ATOM 402 N ASN A 53 5.746 -3.175 -12.625 1.00 62.20 N ATOM 403 CA ASN A 53 7.166 -2.909 -12.423 1.00 62.52 C ATOM 404 C ASN A 53 7.697 -3.445 -11.140 1.00 54.33 C ATOM 405 O ASN A 53 8.892 -3.323 -10.875 1.00 71.45 O ATOM 406 CB ASN A 53 7.534 -1.460 -12.541 1.00 22.25 C ATOM 407 CG ASN A 53 7.259 -0.883 -13.920 1.00 54.11 C ATOM 408 OD1 ASN A 53 6.934 0.304 -14.076 1.00 75.11 O ATOM 409 ND2 ASN A 53 7.382 -1.708 -14.928 1.00 14.12 N ATOM 0 H ASN A 53 5.128 -2.779 -11.916 1.00 62.20 H new ATOM 0 HA ASN A 53 7.639 -3.448 -13.244 1.00 62.52 H new ATOM 0 HB2 ASN A 53 6.978 -0.889 -11.798 1.00 22.25 H new ATOM 0 HB3 ASN A 53 8.592 -1.340 -12.309 1.00 22.25 H new ATOM 0 HD21 ASN A 53 7.209 -1.381 -15.879 1.00 14.12 H new ATOM 0 HD22 ASN A 53 7.651 -2.678 -14.763 1.00 14.12 H new ATOM 410 N ASN A 54 6.855 -4.045 -10.337 1.00 62.25 N ATOM 411 CA ASN A 54 7.339 -4.632 -9.111 1.00 30.13 C ATOM 412 C ASN A 54 8.031 -5.933 -9.404 1.00 40.41 C ATOM 413 O ASN A 54 7.422 -6.988 -9.453 1.00 20.53 O ATOM 414 CB ASN A 54 6.250 -4.810 -8.002 1.00 61.45 C ATOM 415 CG ASN A 54 6.691 -5.647 -6.809 1.00 71.22 C ATOM 416 OD1 ASN A 54 7.105 -5.118 -5.786 1.00 51.34 O ATOM 417 ND2 ASN A 54 6.634 -6.950 -6.960 1.00 14.55 N ATOM 0 H ASN A 54 5.853 -4.140 -10.503 1.00 62.25 H new ATOM 0 HA ASN A 54 8.050 -3.919 -8.693 1.00 30.13 H new ATOM 0 HB2 ASN A 54 5.948 -3.825 -7.646 1.00 61.45 H new ATOM 0 HB3 ASN A 54 5.369 -5.272 -8.447 1.00 61.45 H new ATOM 0 HD21 ASN A 54 6.942 -7.565 -6.207 1.00 14.55 H new ATOM 0 HD22 ASN A 54 6.281 -7.348 -7.831 1.00 14.55 H new ATOM 418 N LYS A 55 9.219 -5.816 -9.810 1.00 51.44 N ATOM 419 CA LYS A 55 10.098 -6.949 -9.795 1.00 73.02 C ATOM 420 C LYS A 55 11.129 -6.738 -8.694 1.00 12.50 C ATOM 421 O LYS A 55 12.165 -6.102 -8.922 1.00 23.23 O ATOM 422 CB LYS A 55 10.819 -7.186 -11.125 1.00 4.32 C ATOM 423 CG LYS A 55 11.609 -8.500 -11.122 1.00 72.10 C ATOM 424 CD LYS A 55 12.567 -8.637 -12.297 1.00 61.21 C ATOM 425 CE LYS A 55 13.654 -7.569 -12.256 1.00 61.04 C ATOM 426 NZ LYS A 55 14.738 -7.848 -13.219 1.00 63.13 N ATOM 0 H LYS A 55 9.631 -4.952 -10.164 1.00 51.44 H new ATOM 0 HA LYS A 55 9.487 -7.834 -9.617 1.00 73.02 H new ATOM 0 HB2 LYS A 55 10.090 -7.203 -11.935 1.00 4.32 H new ATOM 0 HB3 LYS A 55 11.497 -6.356 -11.323 1.00 4.32 H new ATOM 0 HG2 LYS A 55 12.174 -8.572 -10.193 1.00 72.10 H new ATOM 0 HG3 LYS A 55 10.909 -9.335 -11.135 1.00 72.10 H new ATOM 0 HD2 LYS A 55 13.026 -9.626 -12.281 1.00 61.21 H new ATOM 0 HD3 LYS A 55 12.012 -8.558 -13.232 1.00 61.21 H new ATOM 0 HE2 LYS A 55 13.215 -6.596 -12.476 1.00 61.04 H new ATOM 0 HE3 LYS A 55 14.069 -7.512 -11.250 1.00 61.04 H new ATOM 0 HZ1 LYS A 55 15.457 -7.099 -13.160 1.00 63.13 H new ATOM 0 HZ2 LYS A 55 15.174 -8.765 -12.994 1.00 63.13 H new ATOM 0 HZ3 LYS A 55 14.347 -7.877 -14.182 1.00 63.13 H new ATOM 427 N GLN A 56 10.839 -7.210 -7.506 1.00 62.00 N ATOM 428 CA GLN A 56 11.755 -7.089 -6.412 1.00 55.02 C ATOM 429 C GLN A 56 11.960 -8.423 -5.839 1.00 74.14 C ATOM 430 O GLN A 56 11.122 -9.291 -6.058 1.00 41.12 O ATOM 431 CB GLN A 56 11.281 -6.074 -5.344 1.00 23.30 C ATOM 432 CG GLN A 56 9.796 -6.137 -4.929 1.00 12.11 C ATOM 433 CD GLN A 56 9.305 -7.432 -4.268 1.00 34.12 C ATOM 434 OE1 GLN A 56 10.038 -8.129 -3.579 1.00 11.30 O ATOM 435 NE2 GLN A 56 8.024 -7.698 -4.411 1.00 51.23 N ATOM 0 H GLN A 56 9.966 -7.685 -7.277 1.00 62.00 H new ATOM 0 HA GLN A 56 12.700 -6.692 -6.783 1.00 55.02 H new ATOM 0 HB2 GLN A 56 11.889 -6.214 -4.450 1.00 23.30 H new ATOM 0 HB3 GLN A 56 11.487 -5.070 -5.716 1.00 23.30 H new ATOM 0 HG2 GLN A 56 9.602 -5.313 -4.242 1.00 12.11 H new ATOM 0 HG3 GLN A 56 9.190 -5.961 -5.817 1.00 12.11 H new ATOM 0 HE21 GLN A 56 7.440 -7.097 -4.993 1.00 51.23 H new ATOM 0 HE22 GLN A 56 7.615 -8.505 -3.940 1.00 51.23 H new ATOM 436 N CYS A 57 13.058 -8.611 -5.144 1.00 53.15 N ATOM 437 CA CYS A 57 13.331 -9.863 -4.539 1.00 34.32 C ATOM 438 C CYS A 57 14.468 -9.819 -3.579 1.00 33.44 C ATOM 439 O CYS A 57 15.558 -9.341 -3.908 1.00 54.14 O ATOM 440 CB CYS A 57 13.609 -10.921 -5.586 1.00 14.15 C ATOM 441 SG CYS A 57 12.266 -12.099 -5.729 1.00 42.23 S ATOM 0 H CYS A 57 13.772 -7.898 -4.992 1.00 53.15 H new ATOM 0 HA CYS A 57 12.433 -10.118 -3.976 1.00 34.32 H new ATOM 0 HB2 CYS A 57 13.774 -10.441 -6.551 1.00 14.15 H new ATOM 0 HB3 CYS A 57 14.528 -11.449 -5.332 1.00 14.15 H new ATOM 442 N ARG A 58 14.215 -10.242 -2.362 1.00 74.25 N ATOM 443 CA ARG A 58 15.306 -10.522 -1.483 1.00 50.23 C ATOM 444 C ARG A 58 15.616 -11.988 -1.593 1.00 53.41 C ATOM 445 O ARG A 58 14.875 -12.823 -1.093 1.00 60.01 O ATOM 446 CB ARG A 58 15.038 -10.170 -0.037 1.00 33.42 C ATOM 447 CG ARG A 58 14.796 -8.710 0.220 1.00 73.21 C ATOM 448 CD ARG A 58 15.441 -8.300 1.526 1.00 62.04 C ATOM 449 NE ARG A 58 14.936 -9.048 2.699 1.00 45.32 N ATOM 450 CZ ARG A 58 14.968 -8.628 3.972 1.00 31.14 C ATOM 451 NH1 ARG A 58 15.406 -7.398 4.278 1.00 24.32 N ATOM 452 NH2 ARG A 58 14.556 -9.446 4.928 1.00 14.33 N ATOM 0 H ARG A 58 13.285 -10.394 -1.973 1.00 74.25 H new ATOM 0 HA ARG A 58 16.145 -9.897 -1.789 1.00 50.23 H new ATOM 0 HB2 ARG A 58 14.170 -10.734 0.305 1.00 33.42 H new ATOM 0 HB3 ARG A 58 15.887 -10.495 0.565 1.00 33.42 H new ATOM 0 HG2 ARG A 58 15.203 -8.116 -0.598 1.00 73.21 H new ATOM 0 HG3 ARG A 58 13.725 -8.511 0.256 1.00 73.21 H new ATOM 0 HD2 ARG A 58 16.519 -8.445 1.450 1.00 62.04 H new ATOM 0 HD3 ARG A 58 15.273 -7.235 1.685 1.00 62.04 H new ATOM 0 HE ARG A 58 14.527 -9.966 2.523 1.00 45.32 H new ATOM 0 HH11 ARG A 58 15.720 -6.770 3.538 1.00 24.32 H new ATOM 0 HH12 ARG A 58 15.425 -7.091 5.250 1.00 24.32 H new ATOM 0 HH21 ARG A 58 14.221 -10.380 4.691 1.00 14.33 H new ATOM 0 HH22 ARG A 58 14.574 -9.142 5.902 1.00 14.33 H new ATOM 453 N CYS A 59 16.686 -12.287 -2.244 1.00 63.11 N ATOM 454 CA CYS A 59 17.081 -13.631 -2.479 1.00 43.44 C ATOM 455 C CYS A 59 18.101 -13.998 -1.459 1.00 33.01 C ATOM 456 O CYS A 59 19.270 -13.634 -1.558 1.00 50.52 O ATOM 457 CB CYS A 59 17.638 -13.802 -3.889 1.00 41.24 C ATOM 458 SG CYS A 59 16.472 -13.379 -5.231 1.00 55.02 S ATOM 0 H CYS A 59 17.322 -11.592 -2.635 1.00 63.11 H new ATOM 0 HA CYS A 59 16.216 -14.289 -2.397 1.00 43.44 H new ATOM 0 HB2 CYS A 59 18.528 -13.181 -3.991 1.00 41.24 H new ATOM 0 HB3 CYS A 59 17.956 -14.837 -4.016 1.00 41.24 H new ATOM 459 N ILE A 60 17.653 -14.670 -0.465 1.00 33.04 N ATOM 460 CA ILE A 60 18.488 -15.023 0.657 1.00 13.35 C ATOM 461 C ILE A 60 19.253 -16.205 0.265 1.00 62.03 C ATOM 462 O ILE A 60 18.671 -17.091 -0.322 1.00 53.10 O ATOM 463 CB ILE A 60 17.645 -15.446 1.864 1.00 54.33 C ATOM 464 CG1 ILE A 60 16.430 -14.556 1.996 1.00 33.04 C ATOM 465 CG2 ILE A 60 18.486 -15.433 3.135 1.00 60.24 C ATOM 466 CD1 ILE A 60 16.731 -13.095 2.168 1.00 3.42 C ATOM 0 H ILE A 60 16.691 -15.001 -0.392 1.00 33.04 H new ATOM 0 HA ILE A 60 19.107 -14.165 0.921 1.00 13.35 H new ATOM 0 HB ILE A 60 17.296 -16.467 1.708 1.00 54.33 H new ATOM 0 HG12 ILE A 60 15.808 -14.682 1.110 1.00 33.04 H new ATOM 0 HG13 ILE A 60 15.842 -14.894 2.849 1.00 33.04 H new ATOM 0 HG21 ILE A 60 17.870 -15.736 3.982 1.00 60.24 H new ATOM 0 HG22 ILE A 60 19.320 -16.126 3.026 1.00 60.24 H new ATOM 0 HG23 ILE A 60 18.870 -14.427 3.307 1.00 60.24 H new ATOM 0 HD11 ILE A 60 15.798 -12.539 2.254 1.00 3.42 H new ATOM 0 HD12 ILE A 60 17.324 -12.950 3.071 1.00 3.42 H new ATOM 0 HD13 ILE A 60 17.290 -12.735 1.304 1.00 3.42 H new ATOM 467 N ASN A 61 20.545 -16.223 0.540 1.00 64.12 N ATOM 468 CA ASN A 61 21.371 -17.398 0.254 1.00 24.25 C ATOM 469 C ASN A 61 21.335 -17.733 -1.223 1.00 33.50 C ATOM 470 O ASN A 61 21.389 -18.908 -1.589 1.00 42.23 O ATOM 471 CB ASN A 61 20.867 -18.617 1.067 1.00 35.22 C ATOM 472 CG ASN A 61 21.151 -18.542 2.555 1.00 25.51 C ATOM 473 OD1 ASN A 61 22.113 -17.927 2.980 1.00 41.22 O ATOM 474 ND2 ASN A 61 20.324 -19.183 3.360 1.00 33.03 N ATOM 0 H ASN A 61 21.050 -15.443 0.960 1.00 64.12 H new ATOM 0 HA ASN A 61 22.397 -17.167 0.541 1.00 24.25 H new ATOM 0 HB2 ASN A 61 19.792 -18.716 0.920 1.00 35.22 H new ATOM 0 HB3 ASN A 61 21.328 -19.520 0.667 1.00 35.22 H new ATOM 0 HD21 ASN A 61 20.482 -19.172 4.368 1.00 33.03 H new ATOM 0 HD22 ASN A 61 19.527 -19.689 2.974 1.00 33.03 H new ATOM 475 N ALA A 62 21.202 -16.704 -2.074 1.00 70.31 N ATOM 476 CA ALA A 62 21.189 -16.921 -3.493 1.00 4.24 C ATOM 477 C ALA A 62 22.489 -17.536 -3.936 1.00 73.21 C ATOM 478 O ALA A 62 23.568 -17.066 -3.581 1.00 50.22 O ATOM 479 CB ALA A 62 20.877 -15.669 -4.254 1.00 73.22 C ATOM 0 H ALA A 62 21.104 -15.730 -1.789 1.00 70.31 H new ATOM 0 HA ALA A 62 20.384 -17.621 -3.718 1.00 4.24 H new ATOM 0 HB1 ALA A 62 20.878 -15.883 -5.323 1.00 73.22 H new ATOM 0 HB2 ALA A 62 19.895 -15.299 -3.959 1.00 73.22 H new ATOM 0 HB3 ALA A 62 21.630 -14.912 -4.034 1.00 73.22 H new ATOM 480 N ARG A 63 22.376 -18.583 -4.678 1.00 44.20 N ATOM 481 CA ARG A 63 23.507 -19.391 -5.029 1.00 73.11 C ATOM 482 C ARG A 63 23.922 -19.161 -6.445 1.00 24.22 C ATOM 483 O ARG A 63 25.035 -19.499 -6.843 1.00 0.45 O ATOM 484 CB ARG A 63 23.136 -20.839 -4.801 1.00 3.32 C ATOM 485 CG ARG A 63 22.785 -21.090 -3.352 1.00 14.12 C ATOM 486 CD ARG A 63 22.153 -22.444 -3.110 1.00 72.12 C ATOM 487 NE ARG A 63 21.729 -22.594 -1.692 1.00 53.22 N ATOM 488 CZ ARG A 63 20.439 -22.571 -1.260 1.00 20.10 C ATOM 489 NH1 ARG A 63 19.456 -22.311 -2.114 1.00 34.50 N ATOM 490 NH2 ARG A 63 20.157 -22.756 0.040 1.00 1.24 N ATOM 0 H ARG A 63 21.491 -18.911 -5.065 1.00 44.20 H new ATOM 0 HA ARG A 63 24.360 -19.120 -4.406 1.00 73.11 H new ATOM 0 HB2 ARG A 63 22.290 -21.105 -5.435 1.00 3.32 H new ATOM 0 HB3 ARG A 63 23.967 -21.481 -5.093 1.00 3.32 H new ATOM 0 HG2 ARG A 63 23.688 -21.006 -2.748 1.00 14.12 H new ATOM 0 HG3 ARG A 63 22.101 -20.312 -3.012 1.00 14.12 H new ATOM 0 HD2 ARG A 63 21.291 -22.568 -3.765 1.00 72.12 H new ATOM 0 HD3 ARG A 63 22.863 -23.231 -3.365 1.00 72.12 H new ATOM 0 HE ARG A 63 22.459 -22.724 -0.992 1.00 53.22 H new ATOM 0 HH11 ARG A 63 19.668 -22.128 -3.095 1.00 34.50 H new ATOM 0 HH12 ARG A 63 18.489 -22.294 -1.789 1.00 34.50 H new ATOM 0 HH21 ARG A 63 20.911 -22.915 0.708 1.00 1.24 H new ATOM 0 HH22 ARG A 63 19.188 -22.738 0.359 1.00 1.24 H new ATOM 491 N THR A 64 23.038 -18.613 -7.215 1.00 34.31 N ATOM 492 CA THR A 64 23.362 -18.347 -8.584 1.00 72.22 C ATOM 493 C THR A 64 23.086 -16.929 -8.962 1.00 43.03 C ATOM 494 O THR A 64 22.445 -16.169 -8.232 1.00 4.41 O ATOM 495 CB THR A 64 22.629 -19.281 -9.615 1.00 12.11 C ATOM 496 OG1 THR A 64 21.206 -19.063 -9.633 1.00 22.23 O ATOM 497 CG2 THR A 64 22.865 -20.710 -9.298 1.00 51.22 C ATOM 0 H THR A 64 22.097 -18.343 -6.927 1.00 34.31 H new ATOM 0 HA THR A 64 24.431 -18.554 -8.642 1.00 72.22 H new ATOM 0 HB THR A 64 23.043 -19.032 -10.592 1.00 12.11 H new ATOM 0 HG1 THR A 64 20.996 -18.323 -10.240 1.00 22.23 H new ATOM 0 HG21 THR A 64 22.347 -21.335 -10.026 1.00 51.22 H new ATOM 0 HG22 THR A 64 23.934 -20.919 -9.336 1.00 51.22 H new ATOM 0 HG23 THR A 64 22.487 -20.928 -8.299 1.00 51.22 H new ATOM 498 N ALA A 65 23.570 -16.601 -10.123 1.00 71.04 N ATOM 499 CA ALA A 65 23.271 -15.359 -10.784 1.00 33.23 C ATOM 500 C ALA A 65 21.873 -15.511 -11.359 1.00 13.53 C ATOM 501 O ALA A 65 21.298 -16.620 -11.264 1.00 0.13 O ATOM 502 CB ALA A 65 24.283 -15.087 -11.888 1.00 23.23 C ATOM 0 H ALA A 65 24.200 -17.203 -10.653 1.00 71.04 H new ATOM 0 HA ALA A 65 23.322 -14.517 -10.093 1.00 33.23 H new ATOM 0 HB1 ALA A 65 24.042 -14.144 -12.378 1.00 23.23 H new ATOM 0 HB2 ALA A 65 25.283 -15.028 -11.458 1.00 23.23 H new ATOM 0 HB3 ALA A 65 24.249 -15.895 -12.619 1.00 23.23 H new ATOM 503 N LYS A 66 21.294 -14.440 -11.903 1.00 12.13 N ATOM 504 CA LYS A 66 19.946 -14.541 -12.448 1.00 4.53 C ATOM 505 C LYS A 66 19.904 -15.643 -13.519 1.00 50.43 C ATOM 506 O LYS A 66 20.898 -15.903 -14.211 1.00 73.02 O ATOM 507 CB LYS A 66 19.440 -13.231 -13.046 1.00 70.10 C ATOM 508 CG LYS A 66 17.911 -13.179 -13.051 1.00 23.32 C ATOM 509 CD LYS A 66 17.330 -12.431 -14.218 1.00 51.34 C ATOM 510 CE LYS A 66 17.674 -13.127 -15.519 1.00 4.03 C ATOM 511 NZ LYS A 66 16.765 -12.725 -16.605 1.00 51.51 N ATOM 0 H LYS A 66 21.725 -13.518 -11.976 1.00 12.13 H new ATOM 0 HA LYS A 66 19.287 -14.786 -11.616 1.00 4.53 H new ATOM 0 HB2 LYS A 66 19.833 -12.391 -12.473 1.00 70.10 H new ATOM 0 HB3 LYS A 66 19.813 -13.125 -14.065 1.00 70.10 H new ATOM 0 HG2 LYS A 66 17.523 -14.198 -13.055 1.00 23.32 H new ATOM 0 HG3 LYS A 66 17.570 -12.712 -12.127 1.00 23.32 H new ATOM 0 HD2 LYS A 66 16.247 -12.362 -14.111 1.00 51.34 H new ATOM 0 HD3 LYS A 66 17.714 -11.411 -14.232 1.00 51.34 H new ATOM 0 HE2 LYS A 66 18.701 -12.892 -15.798 1.00 4.03 H new ATOM 0 HE3 LYS A 66 17.621 -14.207 -15.380 1.00 4.03 H new ATOM 0 HZ1 LYS A 66 17.268 -12.774 -17.514 1.00 51.51 H new ATOM 0 HZ2 LYS A 66 15.946 -13.366 -16.627 1.00 51.51 H new ATOM 0 HZ3 LYS A 66 16.438 -11.751 -16.442 1.00 51.51 H new ATOM 512 N ASP A 67 18.773 -16.238 -13.684 1.00 33.44 N ATOM 513 CA ASP A 67 18.694 -17.432 -14.492 1.00 10.51 C ATOM 514 C ASP A 67 18.097 -17.159 -15.847 1.00 22.34 C ATOM 515 O ASP A 67 17.170 -16.359 -15.978 1.00 4.44 O ATOM 516 CB ASP A 67 17.897 -18.498 -13.775 1.00 33.53 C ATOM 517 CG ASP A 67 18.017 -19.826 -14.431 1.00 73.04 C ATOM 518 OD1 ASP A 67 18.980 -20.563 -14.112 1.00 11.33 O ATOM 519 OD2 ASP A 67 17.198 -20.147 -15.279 1.00 1.30 O ATOM 0 H ASP A 67 17.889 -15.930 -13.279 1.00 33.44 H new ATOM 0 HA ASP A 67 19.712 -17.787 -14.649 1.00 10.51 H new ATOM 0 HB2 ASP A 67 18.239 -18.572 -12.743 1.00 33.53 H new ATOM 0 HB3 ASP A 67 16.848 -18.204 -13.742 1.00 33.53 H new ATOM 520 N ASN A 68 18.692 -17.743 -16.857 1.00 10.42 N ATOM 521 CA ASN A 68 18.191 -17.643 -18.210 1.00 70.23 C ATOM 522 C ASN A 68 17.738 -18.997 -18.739 1.00 64.41 C ATOM 523 O ASN A 68 17.356 -19.110 -19.904 1.00 52.40 O ATOM 524 CB ASN A 68 19.244 -17.064 -19.144 1.00 14.43 C ATOM 525 CG ASN A 68 20.429 -17.997 -19.395 1.00 14.02 C ATOM 526 OD1 ASN A 68 21.386 -18.023 -18.633 1.00 62.45 O ATOM 527 ND2 ASN A 68 20.375 -18.752 -20.470 1.00 13.10 N ATOM 0 H ASN A 68 19.540 -18.303 -16.767 1.00 10.42 H new ATOM 0 HA ASN A 68 17.332 -16.973 -18.180 1.00 70.23 H new ATOM 0 HB2 ASN A 68 18.776 -16.822 -20.098 1.00 14.43 H new ATOM 0 HB3 ASN A 68 19.613 -16.128 -18.724 1.00 14.43 H new ATOM 0 HD21 ASN A 68 21.146 -19.383 -20.689 1.00 13.10 H new ATOM 0 HD22 ASN A 68 19.562 -18.706 -21.085 1.00 13.10 H new ATOM 528 N ARG A 69 17.779 -20.026 -17.903 1.00 20.45 N ATOM 529 CA ARG A 69 17.471 -21.378 -18.370 1.00 52.41 C ATOM 530 C ARG A 69 15.977 -21.516 -18.345 1.00 31.13 C ATOM 531 O ARG A 69 15.378 -22.267 -19.104 1.00 14.40 O ATOM 532 CB ARG A 69 18.072 -22.474 -17.445 1.00 44.41 C ATOM 533 CG ARG A 69 19.466 -22.201 -16.872 1.00 63.31 C ATOM 534 CD ARG A 69 20.444 -21.690 -17.913 1.00 11.21 C ATOM 535 NE ARG A 69 21.800 -21.389 -17.367 1.00 31.03 N ATOM 536 CZ ARG A 69 22.121 -20.349 -16.531 1.00 14.25 C ATOM 537 NH1 ARG A 69 21.230 -19.859 -15.640 1.00 34.43 N ATOM 538 NH2 ARG A 69 23.383 -19.914 -16.479 1.00 1.14 N ATOM 0 H ARG A 69 18.018 -19.957 -16.914 1.00 20.45 H new ATOM 0 HA ARG A 69 17.897 -21.514 -19.364 1.00 52.41 H new ATOM 0 HB2 ARG A 69 17.386 -22.630 -16.612 1.00 44.41 H new ATOM 0 HB3 ARG A 69 18.111 -23.408 -18.005 1.00 44.41 H new ATOM 0 HG2 ARG A 69 19.385 -21.470 -16.067 1.00 63.31 H new ATOM 0 HG3 ARG A 69 19.858 -23.118 -16.432 1.00 63.31 H new ATOM 0 HD2 ARG A 69 20.538 -22.432 -18.706 1.00 11.21 H new ATOM 0 HD3 ARG A 69 20.037 -20.787 -18.369 1.00 11.21 H new ATOM 0 HE ARG A 69 22.558 -22.014 -17.640 1.00 31.03 H new ATOM 0 HH11 ARG A 69 20.295 -20.263 -15.578 1.00 34.43 H new ATOM 0 HH12 ARG A 69 21.492 -19.085 -15.029 1.00 34.43 H new ATOM 0 HH21 ARG A 69 24.098 -20.354 -17.058 1.00 1.14 H new ATOM 0 HH22 ARG A 69 23.631 -19.142 -15.861 1.00 1.14 H new ATOM 539 N ASN A 70 15.403 -20.751 -17.473 1.00 32.43 N ATOM 540 CA ASN A 70 13.997 -20.736 -17.247 1.00 11.22 C ATOM 541 C ASN A 70 13.400 -19.568 -17.964 1.00 51.21 C ATOM 542 O ASN A 70 13.760 -18.426 -17.667 1.00 12.21 O ATOM 543 CB ASN A 70 13.694 -20.585 -15.757 1.00 44.24 C ATOM 544 CG ASN A 70 14.014 -21.800 -14.923 1.00 53.01 C ATOM 545 OD1 ASN A 70 13.169 -22.661 -14.723 1.00 3.32 O ATOM 546 ND2 ASN A 70 15.221 -21.883 -14.423 1.00 54.03 N ATOM 0 H ASN A 70 15.918 -20.100 -16.881 1.00 32.43 H new ATOM 0 HA ASN A 70 13.577 -21.674 -17.610 1.00 11.22 H new ATOM 0 HB2 ASN A 70 14.258 -19.736 -15.370 1.00 44.24 H new ATOM 0 HB3 ASN A 70 12.637 -20.347 -15.637 1.00 44.24 H new ATOM 0 HD21 ASN A 70 15.480 -22.684 -13.847 1.00 54.03 H new ATOM 0 HD22 ASN A 70 15.902 -21.147 -14.609 1.00 54.03 H new ATOM 547 N PRO A 71 12.474 -19.812 -18.922 1.00 23.34 N ATOM 548 CA PRO A 71 11.767 -18.737 -19.649 1.00 54.13 C ATOM 549 C PRO A 71 11.021 -17.815 -18.679 1.00 1.44 C ATOM 550 O PRO A 71 10.806 -16.640 -18.943 1.00 24.22 O ATOM 551 CB PRO A 71 10.762 -19.503 -20.521 1.00 34.30 C ATOM 552 CG PRO A 71 11.352 -20.860 -20.682 1.00 11.31 C ATOM 553 CD PRO A 71 12.070 -21.153 -19.397 1.00 61.11 C ATOM 0 HA PRO A 71 12.444 -18.099 -20.218 1.00 54.13 H new ATOM 0 HB2 PRO A 71 9.783 -19.552 -20.045 1.00 34.30 H new ATOM 0 HB3 PRO A 71 10.624 -19.015 -21.486 1.00 34.30 H new ATOM 0 HG2 PRO A 71 10.577 -21.602 -20.874 1.00 11.31 H new ATOM 0 HG3 PRO A 71 12.038 -20.889 -21.528 1.00 11.31 H new ATOM 0 HD2 PRO A 71 11.422 -21.656 -18.679 1.00 61.11 H new ATOM 0 HD3 PRO A 71 12.932 -21.800 -19.556 1.00 61.11 H new ATOM 554 N THR A 72 10.684 -18.367 -17.540 1.00 13.52 N ATOM 555 CA THR A 72 10.002 -17.682 -16.491 1.00 71.25 C ATOM 556 C THR A 72 10.906 -16.644 -15.799 1.00 50.04 C ATOM 557 O THR A 72 10.420 -15.669 -15.226 1.00 51.21 O ATOM 558 CB THR A 72 9.520 -18.733 -15.491 1.00 41.03 C ATOM 559 OG1 THR A 72 10.502 -19.792 -15.455 1.00 74.41 O ATOM 560 CG2 THR A 72 8.169 -19.302 -15.907 1.00 11.54 C ATOM 0 H THR A 72 10.888 -19.341 -17.318 1.00 13.52 H new ATOM 0 HA THR A 72 9.160 -17.127 -16.904 1.00 71.25 H new ATOM 0 HB THR A 72 9.402 -18.277 -14.508 1.00 41.03 H new ATOM 0 HG1 THR A 72 10.217 -20.480 -14.818 1.00 74.41 H new ATOM 0 HG21 THR A 72 7.848 -20.047 -15.179 1.00 11.54 H new ATOM 0 HG22 THR A 72 7.434 -18.498 -15.951 1.00 11.54 H new ATOM 0 HG23 THR A 72 8.257 -19.768 -16.889 1.00 11.54 H new ATOM 561 N CYS A 73 12.209 -16.837 -15.890 1.00 22.42 N ATOM 562 CA CYS A 73 13.160 -15.942 -15.256 1.00 51.42 C ATOM 563 C CYS A 73 13.638 -14.869 -16.228 1.00 50.21 C ATOM 564 O CYS A 73 14.556 -14.094 -15.914 1.00 62.55 O ATOM 565 CB CYS A 73 14.366 -16.708 -14.703 1.00 21.14 C ATOM 566 SG CYS A 73 13.997 -17.924 -13.392 1.00 74.54 S ATOM 0 H CYS A 73 12.635 -17.611 -16.400 1.00 22.42 H new ATOM 0 HA CYS A 73 12.642 -15.462 -14.426 1.00 51.42 H new ATOM 0 HB2 CYS A 73 14.853 -17.227 -15.528 1.00 21.14 H new ATOM 0 HB3 CYS A 73 15.084 -15.987 -14.313 1.00 21.14 H new ATOM 567 N TRP A 74 13.044 -14.814 -17.404 1.00 55.25 N ATOM 568 CA TRP A 74 13.399 -13.795 -18.365 1.00 2.21 C ATOM 569 C TRP A 74 12.696 -12.489 -18.062 1.00 3.14 C ATOM 570 O TRP A 74 11.558 -12.261 -18.461 1.00 11.05 O ATOM 571 CB TRP A 74 13.192 -14.248 -19.815 1.00 73.15 C ATOM 572 CG TRP A 74 14.245 -15.208 -20.298 1.00 63.32 C ATOM 573 CD1 TRP A 74 14.398 -16.509 -19.939 1.00 74.14 C ATOM 574 CD2 TRP A 74 15.290 -14.933 -21.241 1.00 73.14 C ATOM 575 NE1 TRP A 74 15.473 -17.059 -20.586 1.00 44.20 N ATOM 576 CE2 TRP A 74 16.035 -16.116 -21.395 1.00 23.21 C ATOM 577 CE3 TRP A 74 15.667 -13.800 -21.971 1.00 24.55 C ATOM 578 CZ2 TRP A 74 17.134 -16.203 -22.245 1.00 45.52 C ATOM 579 CZ3 TRP A 74 16.759 -13.888 -22.815 1.00 14.52 C ATOM 580 CH2 TRP A 74 17.479 -15.081 -22.946 1.00 2.22 C ATOM 0 H TRP A 74 12.318 -15.460 -17.713 1.00 55.25 H new ATOM 0 HA TRP A 74 14.470 -13.620 -18.263 1.00 2.21 H new ATOM 0 HB2 TRP A 74 12.213 -14.719 -19.904 1.00 73.15 H new ATOM 0 HB3 TRP A 74 13.185 -13.372 -20.464 1.00 73.15 H new ATOM 0 HD1 TRP A 74 13.762 -17.035 -19.242 1.00 74.14 H new ATOM 0 HE1 TRP A 74 15.800 -18.019 -20.480 1.00 44.20 H new ATOM 0 HE3 TRP A 74 15.116 -12.876 -21.877 1.00 24.55 H new ATOM 0 HZ2 TRP A 74 17.693 -17.122 -22.347 1.00 45.52 H new ATOM 0 HZ3 TRP A 74 17.062 -13.021 -23.383 1.00 14.52 H new ATOM 0 HH2 TRP A 74 18.326 -15.116 -23.616 1.00 2.22 H new ATOM 581 N ALA A 75 13.386 -11.691 -17.285 1.00 70.53 N ATOM 582 CA ALA A 75 13.005 -10.396 -16.846 1.00 74.33 C ATOM 583 C ALA A 75 14.224 -9.887 -16.132 1.00 51.12 C ATOM 584 O ALA A 75 15.272 -10.615 -16.188 1.00 44.34 O ATOM 585 CB ALA A 75 11.822 -10.469 -15.877 1.00 51.52 C ATOM 0 H ALA A 75 14.299 -11.964 -16.921 1.00 70.53 H new ATOM 0 HA ALA A 75 12.688 -9.756 -17.670 1.00 74.33 H new ATOM 0 HB1 ALA A 75 11.551 -9.463 -15.557 1.00 51.52 H new ATOM 0 HB2 ALA A 75 10.971 -10.932 -16.376 1.00 51.52 H new ATOM 0 HB3 ALA A 75 12.100 -11.064 -15.007 1.00 51.52 H new TER 586 ALA A 75