USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=20 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 66 LYS NZ :NH3+ 176:sc= 1.53 (180deg=1.26) USER MOD Set 1.2: A 68 ASN : amide:sc= 0.227 K(o=1.8,f=0.13) USER MOD Set 2.1: A 40 TYR OH : rot 151:sc= -2! USER MOD Set 2.2: A 42 SER OG : rot -46:sc= -0.0325 USER MOD Set 2.3: A 56 GLN : amide:sc= -2.2! C(o=-4.2!,f=-9.9!) USER MOD Set 3.1: A 27 TYR OH : rot 180:sc= 0.695 USER MOD Set 3.2: A 55 LYS NZ :NH3+ 168:sc= 1.9 (180deg=1.1) USER MOD Set 4.1: A 33 LYS NZ :NH3+ -160:sc= 2.21 (180deg=1.96) USER MOD Set 4.2: A 64 THR OG1 : rot 84:sc= 0.415 USER MOD Set 5.1: A 1 GLY N :NH3+ 154:sc= 0.645 (180deg=-3.09!) USER MOD Set 5.2: A 46 ASN : amide:sc= 0.894 K(o=1.5,f=-15!) USER MOD Single : A 7 SER OG : rot 72:sc= 1.1 USER MOD Single : A 10 SER OG : rot 158:sc= 0.0276 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -69:sc= -0.711 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0699 USER MOD Single : A 23 SER OG : rot 99:sc= -1.45! USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 143:sc= 1.23 (180deg=-0.494!) USER MOD Single : A 44 SER OG : rot 180:sc=0.000549 USER MOD Single : A 49 HIS : no HE2:sc= 0.156 K(o=0.16,f=-1.8) USER MOD Single : A 53 ASN : amide:sc= -0.687 X(o=-0.69,f=-0.49) USER MOD Single : A 54 ASN : amide:sc= -8.25! C(o=-8.2!,f=-8.8!) USER MOD Single : A 61 ASN : amide:sc= -0.426 K(o=-0.43,f=-1) USER MOD Single : A 70 ASN : amide:sc= -0.622! K(o=-0.62!,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -1.1 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.770 -0.391 -3.504 1.00 63.40 N ATOM 2 CA GLY A 1 2.412 -0.664 -3.981 1.00 3.44 C ATOM 3 C GLY A 1 2.353 -1.874 -4.899 1.00 43.14 C ATOM 4 O GLY A 1 1.285 -2.199 -5.455 1.00 2.42 O ATOM 0 H1 GLY A 1 3.860 0.619 -3.273 1.00 63.40 H new ATOM 0 H2 GLY A 1 3.960 -0.959 -2.654 1.00 63.40 H new ATOM 0 H3 GLY A 1 4.455 -0.639 -4.246 1.00 63.40 H new ATOM 0 HA2 GLY A 1 1.756 -0.827 -3.126 1.00 3.44 H new ATOM 0 HA3 GLY A 1 2.033 0.210 -4.511 1.00 3.44 H new ATOM 5 N CYS A 2 3.468 -2.557 -5.046 1.00 71.54 N ATOM 6 CA CYS A 2 3.583 -3.673 -5.937 1.00 65.01 C ATOM 7 C CYS A 2 3.080 -4.942 -5.230 1.00 53.34 C ATOM 8 O CYS A 2 3.858 -5.718 -4.669 1.00 74.42 O ATOM 9 CB CYS A 2 5.049 -3.818 -6.382 1.00 61.12 C ATOM 10 SG CYS A 2 5.760 -2.317 -7.177 1.00 64.23 S ATOM 0 H CYS A 2 4.327 -2.343 -4.539 1.00 71.54 H new ATOM 0 HA CYS A 2 2.972 -3.515 -6.826 1.00 65.01 H new ATOM 0 HB2 CYS A 2 5.655 -4.075 -5.513 1.00 61.12 H new ATOM 0 HB3 CYS A 2 5.123 -4.652 -7.080 1.00 61.12 H new ATOM 11 N PHE A 3 1.767 -5.123 -5.251 1.00 42.44 N ATOM 12 CA PHE A 3 1.115 -6.156 -4.462 1.00 22.15 C ATOM 13 C PHE A 3 1.228 -7.583 -5.006 1.00 31.24 C ATOM 14 O PHE A 3 1.257 -8.504 -4.220 1.00 12.05 O ATOM 15 CB PHE A 3 -0.395 -5.825 -4.195 1.00 40.41 C ATOM 16 CG PHE A 3 -1.316 -5.886 -5.423 1.00 10.43 C ATOM 17 CD1 PHE A 3 -1.716 -7.091 -5.964 1.00 3.24 C ATOM 18 CD2 PHE A 3 -1.780 -4.720 -6.023 1.00 12.03 C ATOM 19 CE1 PHE A 3 -2.561 -7.124 -7.071 1.00 0.24 C ATOM 20 CE2 PHE A 3 -2.617 -4.757 -7.111 1.00 64.04 C ATOM 21 CZ PHE A 3 -3.007 -5.958 -7.636 1.00 55.55 C ATOM 0 H PHE A 3 1.128 -4.561 -5.813 1.00 42.44 H new ATOM 0 HA PHE A 3 1.679 -6.143 -3.530 1.00 22.15 H new ATOM 0 HB2 PHE A 3 -0.773 -6.519 -3.445 1.00 40.41 H new ATOM 0 HB3 PHE A 3 -0.459 -4.825 -3.765 1.00 40.41 H new ATOM 0 HD1 PHE A 3 -1.371 -8.016 -5.526 1.00 3.24 H new ATOM 0 HD2 PHE A 3 -1.475 -3.764 -5.624 1.00 12.03 H new ATOM 0 HE1 PHE A 3 -2.866 -8.073 -7.486 1.00 0.24 H new ATOM 0 HE2 PHE A 3 -2.968 -3.836 -7.553 1.00 64.04 H new ATOM 0 HZ PHE A 3 -3.664 -5.987 -8.493 1.00 55.55 H new ATOM 22 N GLU A 4 1.306 -7.754 -6.329 1.00 41.32 N ATOM 23 CA GLU A 4 1.071 -9.083 -6.950 1.00 3.25 C ATOM 24 C GLU A 4 2.016 -10.165 -6.435 1.00 2.10 C ATOM 25 O GLU A 4 1.579 -11.070 -5.713 1.00 73.43 O ATOM 26 CB GLU A 4 1.105 -8.976 -8.494 1.00 42.13 C ATOM 27 CG GLU A 4 0.044 -9.824 -9.240 1.00 52.53 C ATOM 28 CD GLU A 4 0.282 -11.335 -9.272 1.00 53.45 C ATOM 29 OE1 GLU A 4 0.588 -11.944 -8.248 1.00 32.04 O ATOM 30 OE2 GLU A 4 0.102 -11.952 -10.349 1.00 2.15 O ATOM 0 H GLU A 4 1.526 -7.009 -6.991 1.00 41.32 H new ATOM 0 HA GLU A 4 0.073 -9.401 -6.648 1.00 3.25 H new ATOM 0 HB2 GLU A 4 0.972 -7.931 -8.772 1.00 42.13 H new ATOM 0 HB3 GLU A 4 2.094 -9.275 -8.841 1.00 42.13 H new ATOM 0 HG2 GLU A 4 -0.926 -9.640 -8.779 1.00 52.53 H new ATOM 0 HG3 GLU A 4 -0.019 -9.466 -10.268 1.00 52.53 H new ATOM 31 N ASP A 5 3.305 -10.026 -6.694 1.00 54.24 N ATOM 32 CA ASP A 5 4.236 -11.087 -6.307 1.00 74.12 C ATOM 33 C ASP A 5 4.365 -11.138 -4.786 1.00 10.14 C ATOM 34 O ASP A 5 4.590 -12.194 -4.204 1.00 41.52 O ATOM 35 CB ASP A 5 5.598 -10.919 -6.985 1.00 20.21 C ATOM 36 CG ASP A 5 6.366 -12.231 -7.149 1.00 11.23 C ATOM 37 OD1 ASP A 5 6.804 -12.802 -6.145 1.00 61.13 O ATOM 38 OD2 ASP A 5 6.519 -12.706 -8.332 1.00 2.25 O ATOM 0 H ASP A 5 3.727 -9.220 -7.155 1.00 54.24 H new ATOM 0 HA ASP A 5 3.834 -12.040 -6.650 1.00 74.12 H new ATOM 0 HB2 ASP A 5 5.453 -10.468 -7.966 1.00 20.21 H new ATOM 0 HB3 ASP A 5 6.202 -10.225 -6.401 1.00 20.21 H new ATOM 39 N TRP A 6 4.156 -9.982 -4.132 1.00 54.11 N ATOM 40 CA TRP A 6 4.151 -9.931 -2.678 1.00 24.02 C ATOM 41 C TRP A 6 3.008 -10.790 -2.092 1.00 41.05 C ATOM 42 O TRP A 6 3.236 -11.618 -1.203 1.00 31.32 O ATOM 43 CB TRP A 6 4.057 -8.474 -2.189 1.00 42.41 C ATOM 44 CG TRP A 6 3.835 -8.340 -0.707 1.00 14.40 C ATOM 45 CD1 TRP A 6 4.563 -8.919 0.290 1.00 51.24 C ATOM 46 CD2 TRP A 6 2.818 -7.565 -0.058 1.00 31.32 C ATOM 47 NE1 TRP A 6 4.054 -8.572 1.508 1.00 4.32 N ATOM 48 CE2 TRP A 6 2.987 -7.738 1.327 1.00 53.20 C ATOM 49 CE3 TRP A 6 1.780 -6.749 -0.513 1.00 51.33 C ATOM 50 CZ2 TRP A 6 2.159 -7.124 2.262 1.00 14.41 C ATOM 51 CZ3 TRP A 6 0.959 -6.139 0.415 1.00 12.21 C ATOM 52 CH2 TRP A 6 1.153 -6.328 1.788 1.00 52.11 C ATOM 0 H TRP A 6 3.991 -9.086 -4.590 1.00 54.11 H new ATOM 0 HA TRP A 6 5.092 -10.350 -2.321 1.00 24.02 H new ATOM 0 HB2 TRP A 6 4.975 -7.951 -2.457 1.00 42.41 H new ATOM 0 HB3 TRP A 6 3.242 -7.977 -2.715 1.00 42.41 H new ATOM 0 HD1 TRP A 6 5.419 -9.560 0.138 1.00 51.24 H new ATOM 0 HE1 TRP A 6 4.413 -8.885 2.410 1.00 4.32 H new ATOM 0 HE3 TRP A 6 1.622 -6.598 -1.571 1.00 51.33 H new ATOM 0 HZ2 TRP A 6 2.305 -7.271 3.322 1.00 14.41 H new ATOM 0 HZ3 TRP A 6 0.153 -5.505 0.075 1.00 12.21 H new ATOM 0 HH2 TRP A 6 0.495 -5.835 2.488 1.00 52.11 H new ATOM 53 N SER A 7 1.812 -10.642 -2.651 1.00 62.40 N ATOM 54 CA SER A 7 0.620 -11.330 -2.161 1.00 14.24 C ATOM 55 C SER A 7 0.704 -12.838 -2.329 1.00 12.34 C ATOM 56 O SER A 7 -0.019 -13.589 -1.674 1.00 54.43 O ATOM 57 CB SER A 7 -0.634 -10.807 -2.833 1.00 62.52 C ATOM 58 OG SER A 7 -0.802 -9.412 -2.608 1.00 74.15 O ATOM 0 H SER A 7 1.640 -10.041 -3.457 1.00 62.40 H new ATOM 0 HA SER A 7 0.567 -11.118 -1.093 1.00 14.24 H new ATOM 0 HB2 SER A 7 -0.582 -11.000 -3.904 1.00 62.52 H new ATOM 0 HB3 SER A 7 -1.503 -11.345 -2.454 1.00 62.52 H new ATOM 0 HG SER A 7 -0.140 -8.914 -3.132 1.00 74.15 H new ATOM 59 N ARG A 8 1.613 -13.272 -3.175 1.00 32.34 N ATOM 60 CA ARG A 8 1.831 -14.683 -3.416 1.00 75.51 C ATOM 61 C ARG A 8 2.407 -15.351 -2.183 1.00 53.54 C ATOM 62 O ARG A 8 2.324 -16.562 -2.023 1.00 62.30 O ATOM 63 CB ARG A 8 2.753 -14.877 -4.620 1.00 74.21 C ATOM 64 CG ARG A 8 2.172 -14.269 -5.866 1.00 14.11 C ATOM 65 CD ARG A 8 3.055 -14.460 -7.050 1.00 55.35 C ATOM 66 NE ARG A 8 2.463 -13.889 -8.250 1.00 22.15 N ATOM 67 CZ ARG A 8 2.752 -14.250 -9.484 1.00 32.34 C ATOM 68 NH1 ARG A 8 3.657 -15.218 -9.718 1.00 13.21 N ATOM 69 NH2 ARG A 8 2.117 -13.674 -10.481 1.00 45.01 N ATOM 0 H ARG A 8 2.222 -12.657 -3.715 1.00 32.34 H new ATOM 0 HA ARG A 8 0.872 -15.152 -3.637 1.00 75.51 H new ATOM 0 HB2 ARG A 8 3.723 -14.425 -4.412 1.00 74.21 H new ATOM 0 HB3 ARG A 8 2.924 -15.941 -4.780 1.00 74.21 H new ATOM 0 HG2 ARG A 8 1.198 -14.715 -6.066 1.00 14.11 H new ATOM 0 HG3 ARG A 8 2.008 -13.203 -5.706 1.00 14.11 H new ATOM 0 HD2 ARG A 8 4.023 -13.995 -6.863 1.00 55.35 H new ATOM 0 HD3 ARG A 8 3.237 -15.524 -7.203 1.00 55.35 H new ATOM 0 HE ARG A 8 1.770 -13.151 -8.126 1.00 22.15 H new ATOM 0 HH11 ARG A 8 4.125 -15.678 -8.937 1.00 13.21 H new ATOM 0 HH12 ARG A 8 3.875 -15.492 -10.676 1.00 13.21 H new ATOM 0 HH21 ARG A 8 1.413 -12.960 -10.293 1.00 45.01 H new ATOM 0 HH22 ARG A 8 2.328 -13.941 -11.442 1.00 45.01 H new ATOM 70 N CYS A 9 2.985 -14.553 -1.316 1.00 11.45 N ATOM 71 CA CYS A 9 3.570 -15.040 -0.125 1.00 22.54 C ATOM 72 C CYS A 9 3.000 -14.295 1.085 1.00 22.41 C ATOM 73 O CYS A 9 3.466 -14.457 2.214 1.00 75.01 O ATOM 74 CB CYS A 9 5.058 -14.836 -0.244 1.00 61.21 C ATOM 75 SG CYS A 9 5.727 -15.514 -1.815 1.00 15.35 S ATOM 0 H CYS A 9 3.054 -13.542 -1.434 1.00 11.45 H new ATOM 0 HA CYS A 9 3.350 -16.098 0.019 1.00 22.54 H new ATOM 0 HB2 CYS A 9 5.283 -13.771 -0.185 1.00 61.21 H new ATOM 0 HB3 CYS A 9 5.557 -15.315 0.598 1.00 61.21 H new ATOM 76 N SER A 10 1.992 -13.474 0.846 1.00 61.31 N ATOM 77 CA SER A 10 1.341 -12.715 1.887 1.00 74.51 C ATOM 78 C SER A 10 -0.106 -12.447 1.478 1.00 1.21 C ATOM 79 O SER A 10 -0.355 -11.634 0.603 1.00 2.20 O ATOM 80 CB SER A 10 2.088 -11.395 2.145 1.00 31.42 C ATOM 81 OG SER A 10 3.427 -11.642 2.570 1.00 63.41 O ATOM 0 H SER A 10 1.603 -13.318 -0.084 1.00 61.31 H new ATOM 0 HA SER A 10 1.353 -13.288 2.814 1.00 74.51 H new ATOM 0 HB2 SER A 10 2.096 -10.793 1.236 1.00 31.42 H new ATOM 0 HB3 SER A 10 1.562 -10.817 2.905 1.00 31.42 H new ATOM 0 HG SER A 10 3.978 -10.852 2.390 1.00 63.41 H new ATOM 82 N PRO A 11 -1.077 -13.166 2.072 1.00 5.14 N ATOM 83 CA PRO A 11 -2.486 -13.019 1.716 1.00 54.20 C ATOM 84 C PRO A 11 -3.012 -11.601 1.974 1.00 33.21 C ATOM 85 O PRO A 11 -3.230 -11.194 3.117 1.00 71.34 O ATOM 86 CB PRO A 11 -3.212 -14.049 2.597 1.00 12.01 C ATOM 87 CG PRO A 11 -2.256 -14.371 3.695 1.00 13.35 C ATOM 88 CD PRO A 11 -0.877 -14.167 3.137 1.00 12.04 C ATOM 0 HA PRO A 11 -2.648 -13.185 0.651 1.00 54.20 H new ATOM 0 HB2 PRO A 11 -4.143 -13.642 2.992 1.00 12.01 H new ATOM 0 HB3 PRO A 11 -3.471 -14.941 2.027 1.00 12.01 H new ATOM 0 HG2 PRO A 11 -2.424 -13.726 4.557 1.00 13.35 H new ATOM 0 HG3 PRO A 11 -2.388 -15.398 4.035 1.00 13.35 H new ATOM 0 HD2 PRO A 11 -0.185 -13.808 3.899 1.00 12.04 H new ATOM 0 HD3 PRO A 11 -0.463 -15.095 2.742 1.00 12.04 H new ATOM 89 N SER A 12 -3.122 -10.840 0.917 1.00 53.13 N ATOM 90 CA SER A 12 -3.633 -9.491 0.976 1.00 32.01 C ATOM 91 C SER A 12 -4.458 -9.207 -0.277 1.00 44.34 C ATOM 92 O SER A 12 -5.574 -8.712 -0.204 1.00 52.03 O ATOM 93 CB SER A 12 -2.471 -8.495 1.116 1.00 12.41 C ATOM 94 OG SER A 12 -1.705 -8.787 2.277 1.00 20.53 O ATOM 0 H SER A 12 -2.857 -11.141 -0.021 1.00 53.13 H new ATOM 0 HA SER A 12 -4.278 -9.378 1.848 1.00 32.01 H new ATOM 0 HB2 SER A 12 -1.835 -8.542 0.232 1.00 12.41 H new ATOM 0 HB3 SER A 12 -2.860 -7.479 1.175 1.00 12.41 H new ATOM 0 HG SER A 12 -0.968 -8.146 2.352 1.00 20.53 H new ATOM 95 N THR A 13 -3.901 -9.515 -1.423 1.00 61.23 N ATOM 96 CA THR A 13 -4.604 -9.378 -2.667 1.00 50.54 C ATOM 97 C THR A 13 -4.421 -10.703 -3.443 1.00 53.31 C ATOM 98 O THR A 13 -3.716 -11.594 -2.961 1.00 74.42 O ATOM 99 CB THR A 13 -4.039 -8.161 -3.455 1.00 54.21 C ATOM 100 OG1 THR A 13 -3.876 -7.070 -2.538 1.00 12.45 O ATOM 101 CG2 THR A 13 -5.015 -7.704 -4.540 1.00 63.22 C ATOM 0 H THR A 13 -2.948 -9.867 -1.515 1.00 61.23 H new ATOM 0 HA THR A 13 -5.667 -9.192 -2.512 1.00 50.54 H new ATOM 0 HB THR A 13 -3.097 -8.455 -3.918 1.00 54.21 H new ATOM 0 HG1 THR A 13 -3.519 -6.292 -3.015 1.00 12.45 H new ATOM 0 HG21 THR A 13 -4.593 -6.852 -5.074 1.00 63.22 H new ATOM 0 HG22 THR A 13 -5.189 -8.521 -5.240 1.00 63.22 H new ATOM 0 HG23 THR A 13 -5.959 -7.412 -4.080 1.00 63.22 H new ATOM 102 N ALA A 14 -5.062 -10.853 -4.582 1.00 60.14 N ATOM 103 CA ALA A 14 -4.951 -12.066 -5.356 1.00 74.13 C ATOM 104 C ALA A 14 -3.993 -11.868 -6.517 1.00 34.20 C ATOM 105 O ALA A 14 -3.794 -10.739 -6.980 1.00 22.25 O ATOM 106 CB ALA A 14 -6.322 -12.495 -5.864 1.00 62.04 C ATOM 0 H ALA A 14 -5.669 -10.144 -4.993 1.00 60.14 H new ATOM 0 HA ALA A 14 -4.556 -12.854 -4.714 1.00 74.13 H new ATOM 0 HB1 ALA A 14 -6.224 -13.411 -6.446 1.00 62.04 H new ATOM 0 HB2 ALA A 14 -6.985 -12.673 -5.017 1.00 62.04 H new ATOM 0 HB3 ALA A 14 -6.740 -11.709 -6.493 1.00 62.04 H new ATOM 107 N SER A 15 -3.407 -12.950 -6.956 1.00 73.21 N ATOM 108 CA SER A 15 -2.493 -12.955 -8.067 1.00 74.23 C ATOM 109 C SER A 15 -3.244 -13.031 -9.394 1.00 14.24 C ATOM 110 O SER A 15 -4.415 -13.435 -9.431 1.00 54.54 O ATOM 111 CB SER A 15 -1.566 -14.146 -7.916 1.00 62.10 C ATOM 112 OG SER A 15 -0.866 -14.049 -6.694 1.00 42.44 O ATOM 0 H SER A 15 -3.555 -13.871 -6.543 1.00 73.21 H new ATOM 0 HA SER A 15 -1.918 -12.029 -8.070 1.00 74.23 H new ATOM 0 HB2 SER A 15 -2.140 -15.072 -7.946 1.00 62.10 H new ATOM 0 HB3 SER A 15 -0.863 -14.180 -8.748 1.00 62.10 H new ATOM 0 HG SER A 15 -0.228 -13.306 -6.740 1.00 42.44 H new ATOM 113 N ALA A 16 -2.580 -12.645 -10.464 1.00 43.32 N ATOM 114 CA ALA A 16 -3.180 -12.658 -11.771 1.00 60.00 C ATOM 115 C ALA A 16 -2.686 -13.850 -12.582 1.00 70.41 C ATOM 116 O ALA A 16 -3.476 -14.687 -13.011 1.00 25.23 O ATOM 117 CB ALA A 16 -2.889 -11.353 -12.500 1.00 11.44 C ATOM 0 H ALA A 16 -1.615 -12.316 -10.447 1.00 43.32 H new ATOM 0 HA ALA A 16 -4.259 -12.755 -11.653 1.00 60.00 H new ATOM 0 HB1 ALA A 16 -3.349 -11.377 -13.488 1.00 11.44 H new ATOM 0 HB2 ALA A 16 -3.298 -10.519 -11.930 1.00 11.44 H new ATOM 0 HB3 ALA A 16 -1.811 -11.227 -12.605 1.00 11.44 H new ATOM 118 N THR A 17 -1.374 -13.935 -12.783 1.00 41.34 N ATOM 119 CA THR A 17 -0.787 -14.999 -13.582 1.00 33.11 C ATOM 120 C THR A 17 0.749 -14.886 -13.544 1.00 62.33 C ATOM 121 O THR A 17 1.283 -13.936 -13.012 1.00 5.43 O ATOM 122 CB THR A 17 -1.323 -14.971 -15.060 1.00 50.33 C ATOM 123 OG1 THR A 17 -0.796 -16.071 -15.825 1.00 3.45 O ATOM 124 CG2 THR A 17 -0.983 -13.653 -15.753 1.00 35.50 C ATOM 0 H THR A 17 -0.697 -13.275 -12.400 1.00 41.34 H new ATOM 0 HA THR A 17 -1.081 -15.958 -13.156 1.00 33.11 H new ATOM 0 HB THR A 17 -2.408 -15.066 -15.007 1.00 50.33 H new ATOM 0 HG1 THR A 17 -1.146 -16.031 -16.739 1.00 3.45 H new ATOM 0 HG21 THR A 17 -1.368 -13.668 -16.773 1.00 35.50 H new ATOM 0 HG22 THR A 17 -1.437 -12.827 -15.206 1.00 35.50 H new ATOM 0 HG23 THR A 17 0.099 -13.522 -15.776 1.00 35.50 H new ATOM 125 N GLY A 18 1.448 -15.821 -14.130 1.00 35.04 N ATOM 126 CA GLY A 18 2.896 -15.826 -14.039 1.00 53.11 C ATOM 127 C GLY A 18 3.573 -15.294 -15.281 1.00 11.11 C ATOM 128 O GLY A 18 4.542 -15.874 -15.752 1.00 35.32 O ATOM 0 H GLY A 18 1.049 -16.587 -14.673 1.00 35.04 H new ATOM 0 HA2 GLY A 18 3.202 -15.227 -13.182 1.00 53.11 H new ATOM 0 HA3 GLY A 18 3.238 -16.844 -13.854 1.00 53.11 H new ATOM 129 N VAL A 19 3.086 -14.181 -15.804 1.00 1.45 N ATOM 130 CA VAL A 19 3.661 -13.613 -17.024 1.00 40.31 C ATOM 131 C VAL A 19 5.021 -12.937 -16.796 1.00 73.14 C ATOM 132 O VAL A 19 6.018 -13.331 -17.406 1.00 64.12 O ATOM 133 CB VAL A 19 2.683 -12.681 -17.810 1.00 20.00 C ATOM 134 CG1 VAL A 19 1.555 -13.497 -18.421 1.00 63.10 C ATOM 135 CG2 VAL A 19 2.107 -11.576 -16.922 1.00 75.23 C ATOM 0 H VAL A 19 2.304 -13.655 -15.413 1.00 1.45 H new ATOM 0 HA VAL A 19 3.839 -14.478 -17.663 1.00 40.31 H new ATOM 0 HB VAL A 19 3.257 -12.202 -18.604 1.00 20.00 H new ATOM 0 HG11 VAL A 19 0.881 -12.836 -18.966 1.00 63.10 H new ATOM 0 HG12 VAL A 19 1.970 -14.236 -19.106 1.00 63.10 H new ATOM 0 HG13 VAL A 19 1.004 -14.005 -17.630 1.00 63.10 H new ATOM 0 HG21 VAL A 19 1.433 -10.952 -17.509 1.00 75.23 H new ATOM 0 HG22 VAL A 19 1.558 -12.024 -16.094 1.00 75.23 H new ATOM 0 HG23 VAL A 19 2.919 -10.964 -16.530 1.00 75.23 H new ATOM 136 N LEU A 20 5.079 -11.966 -15.902 1.00 24.41 N ATOM 137 CA LEU A 20 6.327 -11.244 -15.645 1.00 33.54 C ATOM 138 C LEU A 20 6.729 -11.384 -14.190 1.00 71.30 C ATOM 139 O LEU A 20 7.751 -10.854 -13.747 1.00 53.13 O ATOM 140 CB LEU A 20 6.165 -9.762 -16.013 1.00 12.22 C ATOM 141 CG LEU A 20 5.795 -9.460 -17.475 1.00 25.11 C ATOM 142 CD1 LEU A 20 5.561 -7.973 -17.671 1.00 31.22 C ATOM 143 CD2 LEU A 20 6.885 -9.951 -18.421 1.00 74.55 C ATOM 0 H LEU A 20 4.286 -11.656 -15.341 1.00 24.41 H new ATOM 0 HA LEU A 20 7.114 -11.675 -16.264 1.00 33.54 H new ATOM 0 HB2 LEU A 20 5.397 -9.332 -15.370 1.00 12.22 H new ATOM 0 HB3 LEU A 20 7.098 -9.248 -15.783 1.00 12.22 H new ATOM 0 HG LEU A 20 4.872 -9.991 -17.706 1.00 25.11 H new ATOM 0 HD11 LEU A 20 5.300 -7.780 -18.712 1.00 31.22 H new ATOM 0 HD12 LEU A 20 4.746 -7.645 -17.026 1.00 31.22 H new ATOM 0 HD13 LEU A 20 6.468 -7.425 -17.416 1.00 31.22 H new ATOM 0 HD21 LEU A 20 6.602 -9.727 -19.450 1.00 74.55 H new ATOM 0 HD22 LEU A 20 7.824 -9.450 -18.185 1.00 74.55 H new ATOM 0 HD23 LEU A 20 7.009 -11.028 -18.305 1.00 74.55 H new ATOM 144 N TRP A 21 5.935 -12.120 -13.464 1.00 40.21 N ATOM 145 CA TRP A 21 6.127 -12.306 -12.041 1.00 75.54 C ATOM 146 C TRP A 21 6.325 -13.792 -11.846 1.00 21.52 C ATOM 147 O TRP A 21 5.811 -14.595 -12.654 1.00 23.42 O ATOM 148 CB TRP A 21 4.904 -11.753 -11.271 1.00 40.23 C ATOM 149 CG TRP A 21 4.398 -10.480 -11.905 1.00 40.21 C ATOM 150 CD1 TRP A 21 5.057 -9.282 -12.027 1.00 62.51 C ATOM 151 CD2 TRP A 21 3.127 -10.296 -12.539 1.00 52.02 C ATOM 152 NE1 TRP A 21 4.294 -8.419 -12.757 1.00 52.05 N ATOM 153 CE2 TRP A 21 3.102 -9.002 -13.058 1.00 53.21 C ATOM 154 CE3 TRP A 21 2.022 -11.107 -12.731 1.00 10.42 C ATOM 155 CZ2 TRP A 21 2.009 -8.499 -13.757 1.00 54.52 C ATOM 156 CZ3 TRP A 21 0.934 -10.612 -13.416 1.00 52.34 C ATOM 157 CH2 TRP A 21 0.936 -9.317 -13.924 1.00 55.11 C ATOM 0 H TRP A 21 5.127 -12.615 -13.841 1.00 40.21 H new ATOM 0 HA TRP A 21 6.990 -11.764 -11.653 1.00 75.54 H new ATOM 0 HB2 TRP A 21 4.109 -12.499 -11.259 1.00 40.23 H new ATOM 0 HB3 TRP A 21 5.178 -11.563 -10.233 1.00 40.23 H new ATOM 0 HD1 TRP A 21 6.028 -9.058 -11.610 1.00 62.51 H new ATOM 0 HE1 TRP A 21 4.575 -7.479 -13.035 1.00 52.05 H new ATOM 0 HE3 TRP A 21 2.013 -12.117 -12.348 1.00 10.42 H new ATOM 0 HZ2 TRP A 21 2.013 -7.494 -14.153 1.00 54.52 H new ATOM 0 HZ3 TRP A 21 0.066 -11.239 -13.561 1.00 52.34 H new ATOM 0 HH2 TRP A 21 0.071 -8.955 -14.460 1.00 55.11 H new ATOM 158 N ARG A 22 7.051 -14.185 -10.835 1.00 40.14 N ATOM 159 CA ARG A 22 7.521 -15.572 -10.760 1.00 73.31 C ATOM 160 C ARG A 22 7.185 -16.234 -9.492 1.00 4.33 C ATOM 161 O ARG A 22 7.366 -17.446 -9.394 1.00 35.13 O ATOM 162 CB ARG A 22 9.041 -15.609 -10.920 1.00 23.23 C ATOM 163 CG ARG A 22 9.555 -14.966 -12.199 1.00 33.15 C ATOM 164 CD ARG A 22 8.963 -15.616 -13.426 1.00 73.42 C ATOM 165 NE ARG A 22 9.334 -14.898 -14.645 1.00 24.50 N ATOM 166 CZ ARG A 22 8.500 -14.658 -15.662 1.00 52.31 C ATOM 167 NH1 ARG A 22 7.257 -15.120 -15.626 1.00 22.02 N ATOM 168 NH2 ARG A 22 8.911 -13.960 -16.718 1.00 51.24 N ATOM 0 H ARG A 22 7.334 -13.589 -10.057 1.00 40.14 H new ATOM 0 HA ARG A 22 7.015 -16.107 -11.564 1.00 73.31 H new ATOM 0 HB2 ARG A 22 9.496 -15.106 -10.067 1.00 23.23 H new ATOM 0 HB3 ARG A 22 9.372 -16.647 -10.892 1.00 23.23 H new ATOM 0 HG2 ARG A 22 9.311 -13.904 -12.196 1.00 33.15 H new ATOM 0 HG3 ARG A 22 10.642 -15.043 -12.234 1.00 33.15 H new ATOM 0 HD2 ARG A 22 9.305 -16.649 -13.493 1.00 73.42 H new ATOM 0 HD3 ARG A 22 7.877 -15.645 -13.336 1.00 73.42 H new ATOM 0 HE ARG A 22 10.292 -14.558 -14.724 1.00 24.50 H new ATOM 0 HH11 ARG A 22 6.936 -15.659 -14.822 1.00 22.02 H new ATOM 0 HH12 ARG A 22 6.622 -14.936 -16.403 1.00 22.02 H new ATOM 0 HH21 ARG A 22 9.867 -13.605 -16.754 1.00 51.24 H new ATOM 0 HH22 ARG A 22 8.270 -13.780 -17.491 1.00 51.24 H new ATOM 169 N SER A 23 6.674 -15.460 -8.546 1.00 71.32 N ATOM 170 CA SER A 23 6.525 -15.861 -7.193 1.00 64.14 C ATOM 171 C SER A 23 7.919 -15.982 -6.652 1.00 65.22 C ATOM 172 O SER A 23 8.686 -16.882 -7.022 1.00 74.44 O ATOM 173 CB SER A 23 5.758 -17.131 -7.037 1.00 0.11 C ATOM 174 OG SER A 23 4.496 -17.070 -7.712 1.00 64.31 O ATOM 0 H SER A 23 6.348 -14.510 -8.725 1.00 71.32 H new ATOM 0 HA SER A 23 5.937 -15.127 -6.641 1.00 64.14 H new ATOM 0 HB2 SER A 23 6.343 -17.961 -7.432 1.00 0.11 H new ATOM 0 HB3 SER A 23 5.596 -17.331 -5.978 1.00 0.11 H new ATOM 0 HG SER A 23 4.568 -17.517 -8.581 1.00 64.31 H new ATOM 175 N CYS A 24 8.242 -15.067 -5.840 1.00 20.24 N ATOM 176 CA CYS A 24 9.604 -14.843 -5.385 1.00 23.14 C ATOM 177 C CYS A 24 10.332 -16.096 -4.882 1.00 34.21 C ATOM 178 O CYS A 24 11.526 -16.293 -5.182 1.00 11.40 O ATOM 179 CB CYS A 24 9.662 -13.724 -4.380 1.00 54.23 C ATOM 180 SG CYS A 24 11.328 -13.299 -3.890 1.00 62.41 S ATOM 0 H CYS A 24 7.567 -14.414 -5.442 1.00 20.24 H new ATOM 0 HA CYS A 24 10.157 -14.546 -6.276 1.00 23.14 H new ATOM 0 HB2 CYS A 24 9.178 -12.842 -4.800 1.00 54.23 H new ATOM 0 HB3 CYS A 24 9.092 -14.009 -3.496 1.00 54.23 H new ATOM 181 N ASP A 25 9.630 -16.972 -4.178 1.00 42.22 N ATOM 182 CA ASP A 25 10.270 -18.187 -3.697 1.00 74.12 C ATOM 183 C ASP A 25 10.657 -19.100 -4.852 1.00 44.14 C ATOM 184 O ASP A 25 11.758 -19.650 -4.877 1.00 34.41 O ATOM 185 CB ASP A 25 9.421 -18.946 -2.686 1.00 50.23 C ATOM 186 CG ASP A 25 10.199 -20.106 -2.108 1.00 24.05 C ATOM 187 OD1 ASP A 25 11.150 -19.867 -1.336 1.00 15.01 O ATOM 188 OD2 ASP A 25 9.935 -21.263 -2.449 1.00 74.32 O ATOM 0 H ASP A 25 8.645 -16.870 -3.932 1.00 42.22 H new ATOM 0 HA ASP A 25 11.174 -17.867 -3.179 1.00 74.12 H new ATOM 0 HB2 ASP A 25 9.110 -18.274 -1.886 1.00 50.23 H new ATOM 0 HB3 ASP A 25 8.513 -19.312 -3.166 1.00 50.23 H new ATOM 189 N SER A 26 9.799 -19.172 -5.857 1.00 2.05 N ATOM 190 CA SER A 26 10.033 -20.020 -6.988 1.00 54.24 C ATOM 191 C SER A 26 11.158 -19.408 -7.822 1.00 72.32 C ATOM 192 O SER A 26 12.065 -20.111 -8.285 1.00 5.43 O ATOM 193 CB SER A 26 8.741 -20.137 -7.786 1.00 75.43 C ATOM 194 OG SER A 26 7.669 -20.506 -6.920 1.00 13.12 O ATOM 0 H SER A 26 8.928 -18.642 -5.901 1.00 2.05 H new ATOM 0 HA SER A 26 10.334 -21.022 -6.681 1.00 54.24 H new ATOM 0 HB2 SER A 26 8.517 -19.188 -8.273 1.00 75.43 H new ATOM 0 HB3 SER A 26 8.856 -20.881 -8.574 1.00 75.43 H new ATOM 0 HG SER A 26 6.840 -20.578 -7.438 1.00 13.12 H new ATOM 195 N TYR A 27 11.092 -18.088 -7.985 1.00 41.23 N ATOM 196 CA TYR A 27 12.132 -17.317 -8.639 1.00 62.54 C ATOM 197 C TYR A 27 13.509 -17.585 -8.016 1.00 53.32 C ATOM 198 O TYR A 27 14.400 -18.072 -8.697 1.00 22.45 O ATOM 199 CB TYR A 27 11.798 -15.845 -8.522 1.00 74.42 C ATOM 200 CG TYR A 27 12.732 -14.903 -9.258 1.00 2.01 C ATOM 201 CD1 TYR A 27 12.820 -14.931 -10.637 1.00 74.13 C ATOM 202 CD2 TYR A 27 13.535 -14.006 -8.573 1.00 0.41 C ATOM 203 CE1 TYR A 27 13.681 -14.105 -11.316 1.00 31.10 C ATOM 204 CE2 TYR A 27 14.398 -13.164 -9.244 1.00 62.22 C ATOM 205 CZ TYR A 27 14.470 -13.219 -10.619 1.00 34.15 C ATOM 206 OH TYR A 27 15.353 -12.393 -11.299 1.00 31.21 O ATOM 0 H TYR A 27 10.306 -17.524 -7.662 1.00 41.23 H new ATOM 0 HA TYR A 27 12.177 -17.615 -9.686 1.00 62.54 H new ATOM 0 HB2 TYR A 27 10.786 -15.689 -8.894 1.00 74.42 H new ATOM 0 HB3 TYR A 27 11.794 -15.574 -7.466 1.00 74.42 H new ATOM 0 HD1 TYR A 27 12.198 -15.617 -11.192 1.00 74.13 H new ATOM 0 HD2 TYR A 27 13.485 -13.965 -7.495 1.00 0.41 H new ATOM 0 HE1 TYR A 27 13.739 -14.150 -12.393 1.00 31.10 H new ATOM 0 HE2 TYR A 27 15.013 -12.466 -8.695 1.00 62.22 H new ATOM 0 HH TYR A 27 15.833 -11.828 -10.658 1.00 31.21 H new ATOM 207 N CYS A 28 13.663 -17.311 -6.725 1.00 73.44 N ATOM 208 CA CYS A 28 14.940 -17.484 -6.059 1.00 14.43 C ATOM 209 C CYS A 28 15.431 -18.929 -6.066 1.00 61.15 C ATOM 210 O CYS A 28 16.642 -19.158 -6.110 1.00 10.04 O ATOM 211 CB CYS A 28 14.922 -16.918 -4.640 1.00 12.24 C ATOM 212 SG CYS A 28 14.706 -15.112 -4.545 1.00 32.35 S ATOM 0 H CYS A 28 12.915 -16.968 -6.122 1.00 73.44 H new ATOM 0 HA CYS A 28 15.658 -16.909 -6.644 1.00 14.43 H new ATOM 0 HB2 CYS A 28 14.117 -17.397 -4.083 1.00 12.24 H new ATOM 0 HB3 CYS A 28 15.855 -17.185 -4.145 1.00 12.24 H new ATOM 213 N LYS A 29 14.506 -19.895 -6.080 1.00 12.05 N ATOM 214 CA LYS A 29 14.866 -21.307 -6.088 1.00 43.43 C ATOM 215 C LYS A 29 15.642 -21.638 -7.352 1.00 42.41 C ATOM 216 O LYS A 29 16.758 -22.134 -7.307 1.00 54.30 O ATOM 217 CB LYS A 29 13.603 -22.172 -6.068 1.00 35.25 C ATOM 218 CG LYS A 29 13.366 -22.995 -4.810 1.00 73.22 C ATOM 219 CD LYS A 29 13.116 -22.153 -3.573 1.00 62.31 C ATOM 220 CE LYS A 29 12.642 -23.031 -2.423 1.00 5.14 C ATOM 221 NZ LYS A 29 12.313 -22.252 -1.216 1.00 44.43 N ATOM 0 H LYS A 29 13.501 -19.718 -6.086 1.00 12.05 H new ATOM 0 HA LYS A 29 15.475 -21.509 -5.206 1.00 43.43 H new ATOM 0 HB2 LYS A 29 12.741 -21.522 -6.218 1.00 35.25 H new ATOM 0 HB3 LYS A 29 13.641 -22.852 -6.919 1.00 35.25 H new ATOM 0 HG2 LYS A 29 12.511 -23.652 -4.971 1.00 73.22 H new ATOM 0 HG3 LYS A 29 14.231 -23.634 -4.636 1.00 73.22 H new ATOM 0 HD2 LYS A 29 14.030 -21.632 -3.289 1.00 62.31 H new ATOM 0 HD3 LYS A 29 12.368 -21.390 -3.789 1.00 62.31 H new ATOM 0 HE2 LYS A 29 11.764 -23.594 -2.738 1.00 5.14 H new ATOM 0 HE3 LYS A 29 13.417 -23.758 -2.182 1.00 5.14 H new ATOM 0 HZ1 LYS A 29 11.487 -22.674 -0.745 1.00 44.43 H new ATOM 0 HZ2 LYS A 29 13.125 -22.260 -0.566 1.00 44.43 H new ATOM 0 HZ3 LYS A 29 12.095 -21.271 -1.485 1.00 44.43 H new ATOM 222 N VAL A 30 15.047 -21.311 -8.467 1.00 64.32 N ATOM 223 CA VAL A 30 15.542 -21.623 -9.729 1.00 23.53 C ATOM 224 C VAL A 30 16.648 -20.659 -10.165 1.00 71.34 C ATOM 225 O VAL A 30 17.708 -21.070 -10.605 1.00 11.24 O ATOM 226 CB VAL A 30 14.364 -21.518 -10.693 1.00 4.34 C ATOM 227 CG1 VAL A 30 14.801 -21.771 -12.066 1.00 22.43 C ATOM 228 CG2 VAL A 30 13.241 -22.455 -10.282 1.00 71.25 C ATOM 0 H VAL A 30 14.166 -20.797 -8.494 1.00 64.32 H new ATOM 0 HA VAL A 30 15.980 -22.621 -9.719 1.00 23.53 H new ATOM 0 HB VAL A 30 13.972 -20.502 -10.650 1.00 4.34 H new ATOM 0 HG11 VAL A 30 13.948 -21.692 -12.740 1.00 22.43 H new ATOM 0 HG12 VAL A 30 15.556 -21.037 -12.349 1.00 22.43 H new ATOM 0 HG13 VAL A 30 15.225 -22.773 -12.134 1.00 22.43 H new ATOM 0 HG21 VAL A 30 12.413 -22.361 -10.985 1.00 71.25 H new ATOM 0 HG22 VAL A 30 13.605 -23.482 -10.285 1.00 71.25 H new ATOM 0 HG23 VAL A 30 12.898 -22.195 -9.281 1.00 71.25 H new ATOM 229 N CYS A 31 16.388 -19.400 -10.017 1.00 43.11 N ATOM 230 CA CYS A 31 17.250 -18.359 -10.541 1.00 33.10 C ATOM 231 C CYS A 31 18.588 -18.259 -9.799 1.00 24.22 C ATOM 232 O CYS A 31 19.646 -18.436 -10.395 1.00 35.14 O ATOM 233 CB CYS A 31 16.502 -17.024 -10.519 1.00 62.32 C ATOM 234 SG CYS A 31 16.903 -15.880 -11.860 1.00 3.23 S ATOM 0 H CYS A 31 15.566 -19.049 -9.526 1.00 43.11 H new ATOM 0 HA CYS A 31 17.502 -18.621 -11.569 1.00 33.10 H new ATOM 0 HB2 CYS A 31 15.432 -17.228 -10.547 1.00 62.32 H new ATOM 0 HB3 CYS A 31 16.707 -16.529 -9.570 1.00 62.32 H new ATOM 235 N PHE A 32 18.536 -18.058 -8.509 1.00 35.25 N ATOM 236 CA PHE A 32 19.748 -17.792 -7.716 1.00 4.24 C ATOM 237 C PHE A 32 20.152 -18.995 -6.882 1.00 64.11 C ATOM 238 O PHE A 32 21.128 -18.941 -6.134 1.00 61.42 O ATOM 239 CB PHE A 32 19.514 -16.618 -6.773 1.00 3.21 C ATOM 240 CG PHE A 32 19.211 -15.298 -7.427 1.00 24.41 C ATOM 241 CD1 PHE A 32 17.939 -15.005 -7.879 1.00 42.43 C ATOM 242 CD2 PHE A 32 20.195 -14.340 -7.558 1.00 61.51 C ATOM 243 CE1 PHE A 32 17.655 -13.786 -8.447 1.00 73.21 C ATOM 244 CE2 PHE A 32 19.917 -13.118 -8.131 1.00 74.30 C ATOM 245 CZ PHE A 32 18.642 -12.841 -8.575 1.00 23.14 C ATOM 0 H PHE A 32 17.673 -18.070 -7.966 1.00 35.25 H new ATOM 0 HA PHE A 32 20.546 -17.565 -8.423 1.00 4.24 H new ATOM 0 HB2 PHE A 32 18.687 -16.870 -6.109 1.00 3.21 H new ATOM 0 HB3 PHE A 32 20.399 -16.497 -6.149 1.00 3.21 H new ATOM 0 HD1 PHE A 32 17.157 -15.744 -7.785 1.00 42.43 H new ATOM 0 HD2 PHE A 32 21.195 -14.550 -7.207 1.00 61.51 H new ATOM 0 HE1 PHE A 32 16.655 -13.572 -8.793 1.00 73.21 H new ATOM 0 HE2 PHE A 32 20.697 -12.378 -8.232 1.00 74.30 H new ATOM 0 HZ PHE A 32 18.420 -11.883 -9.022 1.00 23.14 H new ATOM 246 N LYS A 33 19.434 -20.077 -7.074 1.00 0.43 N ATOM 247 CA LYS A 33 19.548 -21.304 -6.283 1.00 24.42 C ATOM 248 C LYS A 33 19.623 -20.997 -4.795 1.00 45.52 C ATOM 249 O LYS A 33 20.634 -21.191 -4.125 1.00 43.11 O ATOM 250 CB LYS A 33 20.650 -22.258 -6.793 1.00 60.12 C ATOM 251 CG LYS A 33 20.429 -22.701 -8.249 1.00 11.34 C ATOM 252 CD LYS A 33 20.778 -21.580 -9.234 1.00 54.00 C ATOM 253 CE LYS A 33 20.564 -21.916 -10.699 1.00 4.05 C ATOM 254 NZ LYS A 33 20.776 -20.697 -11.533 1.00 5.11 N ATOM 0 H LYS A 33 18.728 -20.141 -7.807 1.00 0.43 H new ATOM 0 HA LYS A 33 18.628 -21.871 -6.428 1.00 24.42 H new ATOM 0 HB2 LYS A 33 21.618 -21.764 -6.712 1.00 60.12 H new ATOM 0 HB3 LYS A 33 20.687 -23.139 -6.152 1.00 60.12 H new ATOM 0 HG2 LYS A 33 21.041 -23.577 -8.461 1.00 11.34 H new ATOM 0 HG3 LYS A 33 19.389 -22.998 -8.387 1.00 11.34 H new ATOM 0 HD2 LYS A 33 20.180 -20.703 -8.988 1.00 54.00 H new ATOM 0 HD3 LYS A 33 21.823 -21.304 -9.090 1.00 54.00 H new ATOM 0 HE2 LYS A 33 21.254 -22.702 -11.006 1.00 4.05 H new ATOM 0 HE3 LYS A 33 19.555 -22.300 -10.850 1.00 4.05 H new ATOM 0 HZ1 LYS A 33 20.315 -20.824 -12.457 1.00 5.11 H new ATOM 0 HZ2 LYS A 33 20.366 -19.871 -11.052 1.00 5.11 H new ATOM 0 HZ3 LYS A 33 21.795 -20.545 -11.673 1.00 5.11 H new ATOM 255 N ALA A 34 18.576 -20.371 -4.366 1.00 62.24 N ATOM 256 CA ALA A 34 18.403 -19.896 -3.006 1.00 1.54 C ATOM 257 C ALA A 34 17.624 -20.844 -2.114 1.00 20.21 C ATOM 258 O ALA A 34 16.993 -21.795 -2.582 1.00 42.14 O ATOM 259 CB ALA A 34 17.722 -18.540 -3.040 1.00 62.43 C ATOM 0 H ALA A 34 17.779 -20.162 -4.967 1.00 62.24 H new ATOM 0 HA ALA A 34 19.398 -19.826 -2.567 1.00 1.54 H new ATOM 0 HB1 ALA A 34 17.588 -18.175 -2.022 1.00 62.43 H new ATOM 0 HB2 ALA A 34 18.339 -17.837 -3.599 1.00 62.43 H new ATOM 0 HB3 ALA A 34 16.749 -18.633 -3.523 1.00 62.43 H new ATOM 260 N ASP A 35 17.640 -20.510 -0.822 1.00 51.14 N ATOM 261 CA ASP A 35 16.944 -21.228 0.234 1.00 32.10 C ATOM 262 C ASP A 35 15.517 -20.915 0.065 1.00 51.34 C ATOM 263 O ASP A 35 14.657 -21.798 0.013 1.00 32.31 O ATOM 264 CB ASP A 35 17.441 -20.687 1.590 1.00 12.22 C ATOM 265 CG ASP A 35 16.675 -21.109 2.840 1.00 63.42 C ATOM 266 OD1 ASP A 35 15.519 -20.667 3.042 1.00 35.42 O ATOM 267 OD2 ASP A 35 17.269 -21.790 3.674 1.00 44.12 O ATOM 0 H ASP A 35 18.158 -19.702 -0.476 1.00 51.14 H new ATOM 0 HA ASP A 35 17.116 -22.304 0.195 1.00 32.10 H new ATOM 0 HB2 ASP A 35 18.480 -20.992 1.713 1.00 12.22 H new ATOM 0 HB3 ASP A 35 17.432 -19.598 1.541 1.00 12.22 H new ATOM 268 N ARG A 36 15.257 -19.643 -0.104 1.00 44.31 N ATOM 269 CA ARG A 36 13.912 -19.210 -0.309 1.00 14.24 C ATOM 270 C ARG A 36 13.928 -17.868 -0.984 1.00 32.14 C ATOM 271 O ARG A 36 15.003 -17.232 -1.106 1.00 40.02 O ATOM 272 CB ARG A 36 13.162 -19.121 1.041 1.00 2.14 C ATOM 273 CG ARG A 36 13.325 -17.797 1.755 1.00 21.34 C ATOM 274 CD ARG A 36 13.009 -17.895 3.214 1.00 41.21 C ATOM 275 NE ARG A 36 14.053 -18.634 3.899 1.00 73.11 N ATOM 276 CZ ARG A 36 14.691 -18.231 4.979 1.00 74.21 C ATOM 277 NH1 ARG A 36 14.467 -16.999 5.493 1.00 5.04 N ATOM 278 NH2 ARG A 36 15.620 -19.036 5.502 1.00 51.42 N ATOM 0 H ARG A 36 15.957 -18.901 -0.103 1.00 44.31 H new ATOM 0 HA ARG A 36 13.391 -19.931 -0.940 1.00 14.24 H new ATOM 0 HB2 ARG A 36 12.101 -19.299 0.867 1.00 2.14 H new ATOM 0 HB3 ARG A 36 13.516 -19.919 1.694 1.00 2.14 H new ATOM 0 HG2 ARG A 36 14.348 -17.443 1.630 1.00 21.34 H new ATOM 0 HG3 ARG A 36 12.673 -17.055 1.293 1.00 21.34 H new ATOM 0 HD2 ARG A 36 12.917 -16.897 3.643 1.00 41.21 H new ATOM 0 HD3 ARG A 36 12.049 -18.391 3.354 1.00 41.21 H new ATOM 0 HE ARG A 36 14.315 -19.541 3.512 1.00 73.11 H new ATOM 0 HH11 ARG A 36 13.799 -16.373 5.044 1.00 5.04 H new ATOM 0 HH12 ARG A 36 14.966 -16.697 6.330 1.00 5.04 H new ATOM 0 HH21 ARG A 36 15.819 -19.936 5.065 1.00 51.42 H new ATOM 0 HH22 ARG A 36 16.130 -18.751 6.338 1.00 51.42 H new ATOM 279 N GLY A 37 12.788 -17.466 -1.431 1.00 5.21 N ATOM 280 CA GLY A 37 12.607 -16.165 -1.963 1.00 24.34 C ATOM 281 C GLY A 37 11.559 -15.476 -1.163 1.00 44.15 C ATOM 282 O GLY A 37 10.434 -15.962 -1.071 1.00 23.33 O ATOM 0 H GLY A 37 11.946 -18.042 -1.436 1.00 5.21 H new ATOM 0 HA2 GLY A 37 13.542 -15.606 -1.926 1.00 24.34 H new ATOM 0 HA3 GLY A 37 12.310 -16.221 -3.010 1.00 24.34 H new ATOM 283 N GLU A 38 11.902 -14.377 -0.569 1.00 32.21 N ATOM 284 CA GLU A 38 10.969 -13.686 0.274 1.00 24.44 C ATOM 285 C GLU A 38 10.344 -12.536 -0.494 1.00 31.23 C ATOM 286 O GLU A 38 10.997 -11.533 -0.836 1.00 14.15 O ATOM 287 CB GLU A 38 11.655 -13.241 1.565 1.00 21.20 C ATOM 288 CG GLU A 38 12.343 -14.417 2.266 1.00 44.31 C ATOM 289 CD GLU A 38 13.042 -14.078 3.564 1.00 62.22 C ATOM 290 OE1 GLU A 38 13.652 -13.003 3.650 1.00 74.04 O ATOM 291 OE2 GLU A 38 13.050 -14.957 4.488 1.00 73.22 O ATOM 0 H GLU A 38 12.819 -13.937 -0.650 1.00 32.21 H new ATOM 0 HA GLU A 38 10.159 -14.354 0.567 1.00 24.44 H new ATOM 0 HB2 GLU A 38 12.390 -12.468 1.340 1.00 21.20 H new ATOM 0 HB3 GLU A 38 10.919 -12.796 2.235 1.00 21.20 H new ATOM 0 HG2 GLU A 38 11.597 -15.187 2.465 1.00 44.31 H new ATOM 0 HG3 GLU A 38 13.073 -14.850 1.582 1.00 44.31 H new ATOM 292 N CYS A 39 9.096 -12.758 -0.814 1.00 43.35 N ATOM 293 CA CYS A 39 8.265 -11.890 -1.620 1.00 14.11 C ATOM 294 C CYS A 39 7.837 -10.685 -0.804 1.00 33.23 C ATOM 295 O CYS A 39 7.162 -10.829 0.212 1.00 40.31 O ATOM 296 CB CYS A 39 7.036 -12.708 -2.011 1.00 32.35 C ATOM 297 SG CYS A 39 7.436 -14.498 -2.181 1.00 25.33 S ATOM 0 H CYS A 39 8.601 -13.594 -0.504 1.00 43.35 H new ATOM 0 HA CYS A 39 8.802 -11.533 -2.499 1.00 14.11 H new ATOM 0 HB2 CYS A 39 6.258 -12.579 -1.258 1.00 32.35 H new ATOM 0 HB3 CYS A 39 6.634 -12.334 -2.953 1.00 32.35 H new ATOM 298 N TYR A 40 8.250 -9.522 -1.220 1.00 12.42 N ATOM 299 CA TYR A 40 7.910 -8.301 -0.523 1.00 11.43 C ATOM 300 C TYR A 40 7.627 -7.255 -1.570 1.00 3.33 C ATOM 301 O TYR A 40 8.058 -7.425 -2.685 1.00 4.34 O ATOM 302 CB TYR A 40 9.092 -7.840 0.382 1.00 44.45 C ATOM 303 CG TYR A 40 10.207 -7.106 -0.382 1.00 54.53 C ATOM 304 CD1 TYR A 40 10.897 -7.744 -1.405 1.00 33.33 C ATOM 305 CD2 TYR A 40 10.610 -5.814 -0.031 1.00 21.43 C ATOM 306 CE1 TYR A 40 11.949 -7.132 -2.048 1.00 51.40 C ATOM 307 CE2 TYR A 40 11.653 -5.197 -0.679 1.00 44.04 C ATOM 308 CZ TYR A 40 12.322 -5.861 -1.684 1.00 3.12 C ATOM 309 OH TYR A 40 13.398 -5.252 -2.312 1.00 24.44 O ATOM 0 H TYR A 40 8.830 -9.387 -2.048 1.00 12.42 H new ATOM 0 HA TYR A 40 7.043 -8.458 0.118 1.00 11.43 H new ATOM 0 HB2 TYR A 40 8.706 -7.184 1.162 1.00 44.45 H new ATOM 0 HB3 TYR A 40 9.518 -8.711 0.880 1.00 44.45 H new ATOM 0 HD1 TYR A 40 10.602 -8.740 -1.702 1.00 33.33 H new ATOM 0 HD2 TYR A 40 10.094 -5.293 0.762 1.00 21.43 H new ATOM 0 HE1 TYR A 40 12.479 -7.649 -2.835 1.00 51.40 H new ATOM 0 HE2 TYR A 40 11.947 -4.196 -0.402 1.00 44.04 H new ATOM 0 HH TYR A 40 13.272 -4.280 -2.308 1.00 24.44 H new ATOM 310 N ASP A 41 6.915 -6.216 -1.225 1.00 2.51 N ATOM 311 CA ASP A 41 6.702 -5.101 -2.146 1.00 62.33 C ATOM 312 C ASP A 41 7.861 -4.178 -2.092 1.00 22.21 C ATOM 313 O ASP A 41 8.293 -3.776 -1.015 1.00 1.31 O ATOM 314 CB ASP A 41 5.399 -4.372 -1.854 1.00 41.22 C ATOM 315 CG ASP A 41 5.277 -2.955 -2.435 1.00 43.41 C ATOM 316 OD1 ASP A 41 5.651 -2.707 -3.593 1.00 22.20 O ATOM 317 OD2 ASP A 41 4.738 -2.070 -1.758 1.00 22.24 O ATOM 0 H ASP A 41 6.467 -6.106 -0.315 1.00 2.51 H new ATOM 0 HA ASP A 41 6.618 -5.500 -3.157 1.00 62.33 H new ATOM 0 HB2 ASP A 41 4.575 -4.973 -2.238 1.00 41.22 H new ATOM 0 HB3 ASP A 41 5.273 -4.312 -0.773 1.00 41.22 H new ATOM 318 N SER A 42 8.386 -3.880 -3.233 1.00 12.33 N ATOM 319 CA SER A 42 9.528 -3.032 -3.321 1.00 3.41 C ATOM 320 C SER A 42 9.157 -1.550 -3.265 1.00 2.44 C ATOM 321 O SER A 42 8.568 -1.012 -4.211 1.00 5.33 O ATOM 322 CB SER A 42 10.302 -3.336 -4.581 1.00 61.40 C ATOM 323 OG SER A 42 10.788 -4.655 -4.553 1.00 60.00 O ATOM 0 H SER A 42 8.036 -4.217 -4.130 1.00 12.33 H new ATOM 0 HA SER A 42 10.155 -3.236 -2.453 1.00 3.41 H new ATOM 0 HB2 SER A 42 9.661 -3.197 -5.451 1.00 61.40 H new ATOM 0 HB3 SER A 42 11.133 -2.638 -4.682 1.00 61.40 H new ATOM 0 HG SER A 42 11.190 -4.837 -3.678 1.00 60.00 H new ATOM 324 N PRO A 43 9.546 -0.842 -2.173 1.00 24.11 N ATOM 325 CA PRO A 43 9.278 0.591 -2.025 1.00 55.51 C ATOM 326 C PRO A 43 10.173 1.401 -2.958 1.00 3.11 C ATOM 327 O PRO A 43 9.980 2.589 -3.156 1.00 22.41 O ATOM 328 CB PRO A 43 9.619 0.878 -0.559 1.00 32.41 C ATOM 329 CG PRO A 43 10.601 -0.177 -0.176 1.00 51.25 C ATOM 330 CD PRO A 43 10.262 -1.392 -0.994 1.00 31.54 C ATOM 0 HA PRO A 43 8.252 0.860 -2.278 1.00 55.51 H new ATOM 0 HB2 PRO A 43 10.045 1.875 -0.441 1.00 32.41 H new ATOM 0 HB3 PRO A 43 8.729 0.835 0.069 1.00 32.41 H new ATOM 0 HG2 PRO A 43 11.621 0.152 -0.374 1.00 51.25 H new ATOM 0 HG3 PRO A 43 10.538 -0.397 0.890 1.00 51.25 H new ATOM 0 HD2 PRO A 43 11.158 -1.937 -1.290 1.00 31.54 H new ATOM 0 HD3 PRO A 43 9.636 -2.088 -0.435 1.00 31.54 H new ATOM 331 N SER A 44 11.159 0.714 -3.522 1.00 10.05 N ATOM 332 CA SER A 44 12.067 1.268 -4.492 1.00 35.52 C ATOM 333 C SER A 44 11.331 1.451 -5.826 1.00 21.14 C ATOM 334 O SER A 44 11.774 2.178 -6.699 1.00 24.23 O ATOM 335 CB SER A 44 13.220 0.292 -4.655 1.00 72.22 C ATOM 336 OG SER A 44 13.702 -0.107 -3.372 1.00 40.45 O ATOM 0 H SER A 44 11.345 -0.265 -3.306 1.00 10.05 H new ATOM 0 HA SER A 44 12.443 2.239 -4.168 1.00 35.52 H new ATOM 0 HB2 SER A 44 12.892 -0.582 -5.218 1.00 72.22 H new ATOM 0 HB3 SER A 44 14.023 0.756 -5.227 1.00 72.22 H new ATOM 0 HG SER A 44 14.444 -0.737 -3.483 1.00 40.45 H new ATOM 337 N LEU A 45 10.218 0.755 -5.961 1.00 14.12 N ATOM 338 CA LEU A 45 9.376 0.877 -7.117 1.00 75.14 C ATOM 339 C LEU A 45 8.109 1.575 -6.701 1.00 43.52 C ATOM 340 O LEU A 45 7.769 2.624 -7.229 1.00 74.43 O ATOM 341 CB LEU A 45 9.017 -0.500 -7.697 1.00 25.45 C ATOM 342 CG LEU A 45 10.167 -1.367 -8.213 1.00 20.13 C ATOM 343 CD1 LEU A 45 9.621 -2.688 -8.725 1.00 62.34 C ATOM 344 CD2 LEU A 45 10.934 -0.648 -9.315 1.00 34.04 C ATOM 0 H LEU A 45 9.879 0.090 -5.266 1.00 14.12 H new ATOM 0 HA LEU A 45 9.908 1.440 -7.884 1.00 75.14 H new ATOM 0 HB2 LEU A 45 8.490 -1.063 -6.927 1.00 25.45 H new ATOM 0 HB3 LEU A 45 8.315 -0.348 -8.517 1.00 25.45 H new ATOM 0 HG LEU A 45 10.857 -1.559 -7.391 1.00 20.13 H new ATOM 0 HD11 LEU A 45 10.442 -3.303 -9.092 1.00 62.34 H new ATOM 0 HD12 LEU A 45 9.111 -3.209 -7.915 1.00 62.34 H new ATOM 0 HD13 LEU A 45 8.917 -2.501 -9.536 1.00 62.34 H new ATOM 0 HD21 LEU A 45 11.747 -1.283 -9.667 1.00 34.04 H new ATOM 0 HD22 LEU A 45 10.261 -0.429 -10.144 1.00 34.04 H new ATOM 0 HD23 LEU A 45 11.344 0.283 -8.925 1.00 34.04 H new ATOM 345 N ASN A 46 7.415 0.960 -5.719 1.00 33.31 N ATOM 346 CA ASN A 46 6.142 1.452 -5.176 1.00 15.24 C ATOM 347 C ASN A 46 5.149 1.653 -6.326 1.00 3.35 C ATOM 348 O ASN A 46 4.319 2.556 -6.327 1.00 12.34 O ATOM 349 CB ASN A 46 6.355 2.753 -4.370 1.00 15.31 C ATOM 350 CG ASN A 46 5.126 3.146 -3.555 1.00 71.10 C ATOM 351 OD1 ASN A 46 4.351 2.281 -3.109 1.00 30.31 O ATOM 352 ND2 ASN A 46 4.938 4.426 -3.350 1.00 13.21 N ATOM 0 H ASN A 46 7.733 0.096 -5.279 1.00 33.31 H new ATOM 0 HA ASN A 46 5.731 0.716 -4.486 1.00 15.24 H new ATOM 0 HB2 ASN A 46 7.205 2.626 -3.700 1.00 15.31 H new ATOM 0 HB3 ASN A 46 6.607 3.563 -5.054 1.00 15.31 H new ATOM 0 HD21 ASN A 46 4.134 4.743 -2.808 1.00 13.21 H new ATOM 0 HD22 ASN A 46 5.596 5.106 -3.732 1.00 13.21 H new ATOM 353 N CYS A 47 5.218 0.729 -7.260 1.00 70.30 N ATOM 354 CA CYS A 47 4.470 0.782 -8.481 1.00 53.45 C ATOM 355 C CYS A 47 2.950 0.728 -8.225 1.00 63.04 C ATOM 356 O CYS A 47 2.499 0.066 -7.281 1.00 62.44 O ATOM 357 CB CYS A 47 4.938 -0.346 -9.428 1.00 71.51 C ATOM 358 SG CYS A 47 4.634 -2.064 -8.847 1.00 1.43 S ATOM 0 H CYS A 47 5.812 -0.096 -7.182 1.00 70.30 H new ATOM 0 HA CYS A 47 4.662 1.740 -8.965 1.00 53.45 H new ATOM 0 HB2 CYS A 47 4.441 -0.216 -10.389 1.00 71.51 H new ATOM 0 HB3 CYS A 47 6.007 -0.226 -9.603 1.00 71.51 H new ATOM 359 N PRO A 48 2.155 1.495 -9.021 1.00 53.15 N ATOM 360 CA PRO A 48 0.695 1.527 -8.914 1.00 65.42 C ATOM 361 C PRO A 48 0.074 0.134 -8.907 1.00 73.44 C ATOM 362 O PRO A 48 0.505 -0.761 -9.642 1.00 4.34 O ATOM 363 CB PRO A 48 0.261 2.282 -10.170 1.00 24.13 C ATOM 364 CG PRO A 48 1.404 3.170 -10.482 1.00 50.12 C ATOM 365 CD PRO A 48 2.639 2.428 -10.054 1.00 61.54 C ATOM 0 HA PRO A 48 0.374 1.990 -7.981 1.00 65.42 H new ATOM 0 HB2 PRO A 48 0.054 1.598 -10.993 1.00 24.13 H new ATOM 0 HB3 PRO A 48 -0.650 2.854 -9.994 1.00 24.13 H new ATOM 0 HG2 PRO A 48 1.438 3.401 -11.547 1.00 50.12 H new ATOM 0 HG3 PRO A 48 1.316 4.119 -9.952 1.00 50.12 H new ATOM 0 HD2 PRO A 48 3.095 1.897 -10.889 1.00 61.54 H new ATOM 0 HD3 PRO A 48 3.394 3.106 -9.657 1.00 61.54 H new ATOM 366 N HIS A 49 -0.952 -0.027 -8.088 1.00 10.04 N ATOM 367 CA HIS A 49 -1.638 -1.309 -7.922 1.00 35.23 C ATOM 368 C HIS A 49 -2.488 -1.742 -9.139 1.00 60.15 C ATOM 369 O HIS A 49 -3.714 -1.617 -9.158 1.00 30.34 O ATOM 370 CB HIS A 49 -2.404 -1.422 -6.575 1.00 54.31 C ATOM 371 CG HIS A 49 -3.433 -0.356 -6.288 1.00 11.33 C ATOM 372 ND1 HIS A 49 -4.646 -0.283 -6.938 1.00 1.21 N ATOM 373 CD2 HIS A 49 -3.428 0.671 -5.401 1.00 34.35 C ATOM 374 CE1 HIS A 49 -5.344 0.730 -6.471 1.00 52.35 C ATOM 375 NE2 HIS A 49 -4.629 1.330 -5.535 1.00 33.55 N ATOM 0 H HIS A 49 -1.337 0.725 -7.516 1.00 10.04 H new ATOM 0 HA HIS A 49 -0.833 -2.043 -7.875 1.00 35.23 H new ATOM 0 HB2 HIS A 49 -2.902 -2.391 -6.547 1.00 54.31 H new ATOM 0 HB3 HIS A 49 -1.673 -1.416 -5.766 1.00 54.31 H new ATOM 0 HD1 HIS A 49 -4.957 -0.920 -7.672 1.00 1.21 H new ATOM 0 HD2 HIS A 49 -2.631 0.924 -4.718 1.00 34.35 H new ATOM 0 HE1 HIS A 49 -6.332 1.021 -6.797 1.00 52.35 H new ATOM 376 N ARG A 50 -1.765 -2.148 -10.146 1.00 15.31 N ATOM 377 CA ARG A 50 -2.199 -2.709 -11.432 1.00 50.54 C ATOM 378 C ARG A 50 -0.869 -3.038 -12.107 1.00 62.22 C ATOM 379 O ARG A 50 -0.686 -3.014 -13.319 1.00 51.01 O ATOM 380 CB ARG A 50 -3.094 -1.668 -12.227 1.00 31.12 C ATOM 381 CG ARG A 50 -2.476 -0.289 -12.572 1.00 51.53 C ATOM 382 CD ARG A 50 -1.639 -0.336 -13.841 1.00 64.44 C ATOM 383 NE ARG A 50 -1.011 0.948 -14.184 1.00 54.22 N ATOM 384 CZ ARG A 50 0.050 1.065 -15.002 1.00 24.15 C ATOM 385 NH1 ARG A 50 0.640 -0.040 -15.491 1.00 0.44 N ATOM 386 NH2 ARG A 50 0.526 2.277 -15.319 1.00 44.43 N ATOM 0 H ARG A 50 -0.747 -2.096 -10.098 1.00 15.31 H new ATOM 0 HA ARG A 50 -2.841 -3.587 -11.360 1.00 50.54 H new ATOM 0 HB2 ARG A 50 -3.403 -2.138 -13.161 1.00 31.12 H new ATOM 0 HB3 ARG A 50 -3.998 -1.492 -11.644 1.00 31.12 H new ATOM 0 HG2 ARG A 50 -3.273 0.445 -12.691 1.00 51.53 H new ATOM 0 HG3 ARG A 50 -1.855 0.047 -11.742 1.00 51.53 H new ATOM 0 HD2 ARG A 50 -0.861 -1.091 -13.725 1.00 64.44 H new ATOM 0 HD3 ARG A 50 -2.271 -0.654 -14.670 1.00 64.44 H new ATOM 0 HE ARG A 50 -1.402 1.798 -13.779 1.00 54.22 H new ATOM 0 HH11 ARG A 50 0.283 -0.962 -15.241 1.00 0.44 H new ATOM 0 HH12 ARG A 50 1.445 0.044 -16.112 1.00 0.44 H new ATOM 0 HH21 ARG A 50 0.083 3.114 -14.940 1.00 44.43 H new ATOM 0 HH22 ARG A 50 1.331 2.362 -15.940 1.00 44.43 H new ATOM 387 N LEU A 51 0.016 -3.431 -11.225 1.00 43.43 N ATOM 388 CA LEU A 51 1.434 -3.512 -11.428 1.00 5.13 C ATOM 389 C LEU A 51 1.923 -4.538 -12.465 1.00 63.03 C ATOM 390 O LEU A 51 1.316 -5.575 -12.659 1.00 31.41 O ATOM 391 CB LEU A 51 2.125 -3.760 -10.129 1.00 63.13 C ATOM 392 CG LEU A 51 1.763 -5.045 -9.429 1.00 53.04 C ATOM 393 CD1 LEU A 51 2.993 -5.572 -8.816 1.00 34.21 C ATOM 394 CD2 LEU A 51 0.711 -4.802 -8.363 1.00 72.02 C ATOM 0 H LEU A 51 -0.257 -3.721 -10.286 1.00 43.43 H new ATOM 0 HA LEU A 51 1.693 -2.541 -11.851 1.00 5.13 H new ATOM 0 HB2 LEU A 51 3.201 -3.754 -10.304 1.00 63.13 H new ATOM 0 HB3 LEU A 51 1.907 -2.929 -9.458 1.00 63.13 H new ATOM 0 HG LEU A 51 1.347 -5.757 -10.141 1.00 53.04 H new ATOM 0 HD11 LEU A 51 2.771 -6.505 -8.298 1.00 34.21 H new ATOM 0 HD12 LEU A 51 3.736 -5.756 -9.592 1.00 34.21 H new ATOM 0 HD13 LEU A 51 3.384 -4.846 -8.103 1.00 34.21 H new ATOM 0 HD21 LEU A 51 0.466 -5.744 -7.872 1.00 72.02 H new ATOM 0 HD22 LEU A 51 1.096 -4.098 -7.626 1.00 72.02 H new ATOM 0 HD23 LEU A 51 -0.186 -4.390 -8.825 1.00 72.02 H new ATOM 395 N PRO A 52 3.079 -4.229 -13.119 1.00 22.12 N ATOM 396 CA PRO A 52 3.646 -5.037 -14.195 1.00 40.23 C ATOM 397 C PRO A 52 5.046 -5.693 -14.004 1.00 44.54 C ATOM 398 O PRO A 52 5.260 -6.776 -14.475 1.00 72.51 O ATOM 399 CB PRO A 52 3.775 -3.981 -15.251 1.00 15.23 C ATOM 400 CG PRO A 52 3.890 -2.645 -14.489 1.00 11.13 C ATOM 401 CD PRO A 52 3.800 -3.001 -13.011 1.00 41.54 C ATOM 0 HA PRO A 52 3.020 -5.915 -14.358 1.00 40.23 H new ATOM 0 HB2 PRO A 52 4.653 -4.154 -15.873 1.00 15.23 H new ATOM 0 HB3 PRO A 52 2.909 -3.981 -15.914 1.00 15.23 H new ATOM 0 HG2 PRO A 52 4.833 -2.146 -14.714 1.00 11.13 H new ATOM 0 HG3 PRO A 52 3.091 -1.961 -14.776 1.00 11.13 H new ATOM 0 HD2 PRO A 52 4.779 -3.127 -12.548 1.00 41.54 H new ATOM 0 HD3 PRO A 52 3.267 -2.250 -12.429 1.00 41.54 H new ATOM 402 N ASN A 53 6.014 -5.023 -13.430 1.00 13.42 N ATOM 403 CA ASN A 53 7.354 -5.584 -13.373 1.00 42.13 C ATOM 404 C ASN A 53 7.912 -5.625 -12.004 1.00 50.42 C ATOM 405 O ASN A 53 9.102 -5.447 -11.839 1.00 1.10 O ATOM 406 CB ASN A 53 8.301 -4.857 -14.299 1.00 10.14 C ATOM 407 CG ASN A 53 7.852 -4.941 -15.736 1.00 1.43 C ATOM 408 OD1 ASN A 53 7.137 -4.076 -16.222 1.00 63.14 O ATOM 409 ND2 ASN A 53 8.226 -5.992 -16.410 1.00 24.24 N ATOM 0 H ASN A 53 5.910 -4.104 -13.000 1.00 13.42 H new ATOM 0 HA ASN A 53 7.253 -6.616 -13.709 1.00 42.13 H new ATOM 0 HB2 ASN A 53 8.370 -3.811 -14.000 1.00 10.14 H new ATOM 0 HB3 ASN A 53 9.300 -5.282 -14.205 1.00 10.14 H new ATOM 0 HD21 ASN A 53 7.922 -6.113 -17.376 1.00 24.24 H new ATOM 0 HD22 ASN A 53 8.823 -6.693 -15.972 1.00 24.24 H new ATOM 410 N ASN A 54 7.077 -5.897 -11.020 1.00 12.01 N ATOM 411 CA ASN A 54 7.519 -5.864 -9.604 1.00 60.54 C ATOM 412 C ASN A 54 8.745 -6.699 -9.309 1.00 54.44 C ATOM 413 O ASN A 54 9.487 -6.328 -8.455 1.00 53.42 O ATOM 414 CB ASN A 54 6.407 -6.226 -8.563 1.00 45.54 C ATOM 415 CG ASN A 54 5.827 -7.695 -8.596 1.00 2.44 C ATOM 416 OD1 ASN A 54 4.696 -7.925 -8.185 1.00 34.21 O ATOM 417 ND2 ASN A 54 6.567 -8.669 -9.064 1.00 5.45 N ATOM 0 H ASN A 54 6.096 -6.143 -11.153 1.00 12.01 H new ATOM 0 HA ASN A 54 7.777 -4.812 -9.481 1.00 60.54 H new ATOM 0 HB2 ASN A 54 6.808 -6.045 -7.566 1.00 45.54 H new ATOM 0 HB3 ASN A 54 5.577 -5.533 -8.703 1.00 45.54 H new ATOM 0 HD21 ASN A 54 6.202 -9.621 -9.087 1.00 5.45 H new ATOM 0 HD22 ASN A 54 7.508 -8.475 -9.406 1.00 5.45 H new ATOM 418 N LYS A 55 8.977 -7.751 -10.154 1.00 14.30 N ATOM 419 CA LYS A 55 9.903 -8.892 -9.896 1.00 21.40 C ATOM 420 C LYS A 55 10.953 -8.601 -8.796 1.00 31.15 C ATOM 421 O LYS A 55 12.088 -8.190 -9.062 1.00 31.22 O ATOM 422 CB LYS A 55 10.503 -9.390 -11.213 1.00 72.45 C ATOM 423 CG LYS A 55 11.329 -10.672 -11.070 1.00 14.12 C ATOM 424 CD LYS A 55 11.810 -11.217 -12.414 1.00 74.42 C ATOM 425 CE LYS A 55 12.772 -10.278 -13.145 1.00 41.25 C ATOM 426 NZ LYS A 55 14.017 -10.001 -12.383 1.00 3.22 N ATOM 0 H LYS A 55 8.510 -7.827 -11.058 1.00 14.30 H new ATOM 0 HA LYS A 55 9.317 -9.709 -9.475 1.00 21.40 H new ATOM 0 HB2 LYS A 55 9.697 -9.566 -11.925 1.00 72.45 H new ATOM 0 HB3 LYS A 55 11.134 -8.607 -11.633 1.00 72.45 H new ATOM 0 HG2 LYS A 55 12.191 -10.475 -10.433 1.00 14.12 H new ATOM 0 HG3 LYS A 55 10.729 -11.432 -10.568 1.00 14.12 H new ATOM 0 HD2 LYS A 55 12.303 -12.176 -12.253 1.00 74.42 H new ATOM 0 HD3 LYS A 55 10.946 -11.406 -13.051 1.00 74.42 H new ATOM 0 HE2 LYS A 55 13.034 -10.716 -14.108 1.00 41.25 H new ATOM 0 HE3 LYS A 55 12.263 -9.336 -13.351 1.00 41.25 H new ATOM 0 HZ1 LYS A 55 14.707 -9.533 -13.004 1.00 3.22 H new ATOM 0 HZ2 LYS A 55 13.800 -9.381 -11.577 1.00 3.22 H new ATOM 0 HZ3 LYS A 55 14.416 -10.895 -12.034 1.00 3.22 H new ATOM 427 N GLN A 56 10.509 -8.851 -7.564 1.00 64.02 N ATOM 428 CA GLN A 56 11.137 -8.394 -6.334 1.00 13.22 C ATOM 429 C GLN A 56 11.432 -9.547 -5.414 1.00 13.04 C ATOM 430 O GLN A 56 10.534 -10.299 -5.067 1.00 74.14 O ATOM 431 CB GLN A 56 10.162 -7.398 -5.678 1.00 54.10 C ATOM 432 CG GLN A 56 8.676 -7.818 -5.800 1.00 64.12 C ATOM 433 CD GLN A 56 7.679 -6.722 -5.435 1.00 30.21 C ATOM 434 OE1 GLN A 56 7.958 -5.531 -5.558 1.00 62.53 O ATOM 435 NE2 GLN A 56 6.490 -7.123 -5.039 1.00 13.24 N ATOM 0 H GLN A 56 9.667 -9.401 -7.394 1.00 64.02 H new ATOM 0 HA GLN A 56 12.094 -7.916 -6.545 1.00 13.22 H new ATOM 0 HB2 GLN A 56 10.417 -7.294 -4.623 1.00 54.10 H new ATOM 0 HB3 GLN A 56 10.293 -6.418 -6.136 1.00 54.10 H new ATOM 0 HG2 GLN A 56 8.485 -8.140 -6.824 1.00 64.12 H new ATOM 0 HG3 GLN A 56 8.501 -8.680 -5.157 1.00 64.12 H new ATOM 0 HE21 GLN A 56 6.292 -8.119 -4.948 1.00 13.24 H new ATOM 0 HE22 GLN A 56 5.766 -6.437 -4.823 1.00 13.24 H new ATOM 436 N CYS A 57 12.682 -9.672 -4.998 1.00 31.42 N ATOM 437 CA CYS A 57 13.079 -10.815 -4.234 1.00 65.13 C ATOM 438 C CYS A 57 14.151 -10.586 -3.198 1.00 1.03 C ATOM 439 O CYS A 57 14.928 -9.608 -3.245 1.00 31.23 O ATOM 440 CB CYS A 57 13.545 -11.903 -5.173 1.00 25.51 C ATOM 441 SG CYS A 57 12.227 -12.986 -5.671 1.00 1.43 S ATOM 0 H CYS A 57 13.424 -8.996 -5.181 1.00 31.42 H new ATOM 0 HA CYS A 57 12.188 -11.092 -3.671 1.00 65.13 H new ATOM 0 HB2 CYS A 57 13.991 -11.448 -6.058 1.00 25.51 H new ATOM 0 HB3 CYS A 57 14.326 -12.487 -4.687 1.00 25.51 H new ATOM 442 N ARG A 58 14.122 -11.464 -2.216 1.00 20.30 N ATOM 443 CA ARG A 58 15.188 -11.676 -1.281 1.00 43.31 C ATOM 444 C ARG A 58 15.513 -13.145 -1.362 1.00 14.05 C ATOM 445 O ARG A 58 14.730 -13.978 -0.933 1.00 72.01 O ATOM 446 CB ARG A 58 14.806 -11.314 0.154 1.00 12.23 C ATOM 447 CG ARG A 58 14.512 -9.848 0.384 1.00 20.24 C ATOM 448 CD ARG A 58 15.724 -8.996 0.044 1.00 31.33 C ATOM 449 NE ARG A 58 15.475 -7.570 0.259 1.00 64.53 N ATOM 450 CZ ARG A 58 15.258 -6.677 -0.720 1.00 64.31 C ATOM 451 NH1 ARG A 58 15.177 -7.076 -1.997 1.00 75.10 N ATOM 452 NH2 ARG A 58 15.096 -5.390 -0.424 1.00 44.40 N ATOM 0 H ARG A 58 13.319 -12.070 -2.048 1.00 20.30 H new ATOM 0 HA ARG A 58 16.033 -11.035 -1.534 1.00 43.31 H new ATOM 0 HB2 ARG A 58 13.928 -11.895 0.438 1.00 12.23 H new ATOM 0 HB3 ARG A 58 15.617 -11.616 0.817 1.00 12.23 H new ATOM 0 HG2 ARG A 58 13.663 -9.542 -0.228 1.00 20.24 H new ATOM 0 HG3 ARG A 58 14.229 -9.688 1.424 1.00 20.24 H new ATOM 0 HD2 ARG A 58 16.570 -9.311 0.654 1.00 31.33 H new ATOM 0 HD3 ARG A 58 16.002 -9.162 -0.997 1.00 31.33 H new ATOM 0 HE ARG A 58 15.466 -7.230 1.221 1.00 64.53 H new ATOM 0 HH11 ARG A 58 15.280 -8.064 -2.230 1.00 75.10 H new ATOM 0 HH12 ARG A 58 15.012 -6.392 -2.736 1.00 75.10 H new ATOM 0 HH21 ARG A 58 15.137 -5.081 0.547 1.00 44.40 H new ATOM 0 HH22 ARG A 58 14.931 -4.712 -1.168 1.00 44.40 H new ATOM 453 N CYS A 59 16.613 -13.450 -1.966 1.00 21.44 N ATOM 454 CA CYS A 59 17.014 -14.799 -2.175 1.00 44.33 C ATOM 455 C CYS A 59 18.001 -15.165 -1.100 1.00 54.45 C ATOM 456 O CYS A 59 19.151 -14.737 -1.116 1.00 61.51 O ATOM 457 CB CYS A 59 17.627 -14.942 -3.563 1.00 41.30 C ATOM 458 SG CYS A 59 16.552 -14.337 -4.921 1.00 23.43 S ATOM 0 H CYS A 59 17.267 -12.759 -2.333 1.00 21.44 H new ATOM 0 HA CYS A 59 16.159 -15.472 -2.121 1.00 44.33 H new ATOM 0 HB2 CYS A 59 18.570 -14.397 -3.590 1.00 41.30 H new ATOM 0 HB3 CYS A 59 17.861 -15.992 -3.739 1.00 41.30 H new ATOM 459 N ILE A 60 17.533 -15.906 -0.156 1.00 33.12 N ATOM 460 CA ILE A 60 18.308 -16.250 1.027 1.00 52.10 C ATOM 461 C ILE A 60 19.176 -17.392 0.688 1.00 41.24 C ATOM 462 O ILE A 60 18.742 -18.243 -0.052 1.00 73.31 O ATOM 463 CB ILE A 60 17.377 -16.718 2.160 1.00 35.41 C ATOM 464 CG1 ILE A 60 16.142 -15.855 2.190 1.00 33.40 C ATOM 465 CG2 ILE A 60 18.088 -16.706 3.515 1.00 4.41 C ATOM 466 CD1 ILE A 60 16.402 -14.392 2.415 1.00 61.54 C ATOM 0 H ILE A 60 16.594 -16.304 -0.166 1.00 33.12 H new ATOM 0 HA ILE A 60 18.877 -15.376 1.345 1.00 52.10 H new ATOM 0 HB ILE A 60 17.086 -17.750 1.963 1.00 35.41 H new ATOM 0 HG12 ILE A 60 15.609 -15.974 1.247 1.00 33.40 H new ATOM 0 HG13 ILE A 60 15.481 -16.218 2.977 1.00 33.40 H new ATOM 0 HG21 ILE A 60 17.399 -17.042 4.290 1.00 4.41 H new ATOM 0 HG22 ILE A 60 18.949 -17.373 3.480 1.00 4.41 H new ATOM 0 HG23 ILE A 60 18.423 -15.694 3.741 1.00 4.41 H new ATOM 0 HD11 ILE A 60 15.456 -13.851 2.421 1.00 61.54 H new ATOM 0 HD12 ILE A 60 16.905 -14.255 3.372 1.00 61.54 H new ATOM 0 HD13 ILE A 60 17.035 -14.008 1.615 1.00 61.54 H new ATOM 467 N ASN A 61 20.411 -17.391 1.175 1.00 24.53 N ATOM 468 CA ASN A 61 21.329 -18.534 0.992 1.00 41.33 C ATOM 469 C ASN A 61 21.569 -18.849 -0.474 1.00 71.24 C ATOM 470 O ASN A 61 21.978 -19.958 -0.810 1.00 21.32 O ATOM 471 CB ASN A 61 20.768 -19.785 1.697 1.00 44.50 C ATOM 472 CG ASN A 61 20.915 -19.765 3.204 1.00 13.13 C ATOM 473 OD1 ASN A 61 21.827 -19.143 3.737 1.00 75.14 O ATOM 474 ND2 ASN A 61 20.034 -20.454 3.908 1.00 10.51 N ATOM 0 H ASN A 61 20.811 -16.615 1.702 1.00 24.53 H new ATOM 0 HA ASN A 61 22.284 -18.251 1.435 1.00 41.33 H new ATOM 0 HB2 ASN A 61 19.712 -19.886 1.447 1.00 44.50 H new ATOM 0 HB3 ASN A 61 21.274 -20.667 1.305 1.00 44.50 H new ATOM 0 HD21 ASN A 61 20.101 -20.479 4.925 1.00 10.51 H new ATOM 0 HD22 ASN A 61 19.287 -20.961 3.434 1.00 10.51 H new ATOM 475 N ALA A 62 21.367 -17.856 -1.337 1.00 34.22 N ATOM 476 CA ALA A 62 21.505 -18.043 -2.750 1.00 73.11 C ATOM 477 C ALA A 62 22.910 -18.470 -3.107 1.00 31.30 C ATOM 478 O ALA A 62 23.888 -18.053 -2.459 1.00 30.11 O ATOM 479 CB ALA A 62 21.090 -16.809 -3.492 1.00 72.31 C ATOM 0 H ALA A 62 21.105 -16.909 -1.062 1.00 34.22 H new ATOM 0 HA ALA A 62 20.838 -18.849 -3.056 1.00 73.11 H new ATOM 0 HB1 ALA A 62 21.203 -16.974 -4.564 1.00 72.31 H new ATOM 0 HB2 ALA A 62 20.048 -16.583 -3.268 1.00 72.31 H new ATOM 0 HB3 ALA A 62 21.717 -15.972 -3.185 1.00 72.31 H new ATOM 480 N ARG A 63 23.010 -19.357 -4.051 1.00 34.20 N ATOM 481 CA ARG A 63 24.277 -19.910 -4.443 1.00 64.41 C ATOM 482 C ARG A 63 24.794 -19.253 -5.683 1.00 24.44 C ATOM 483 O ARG A 63 26.001 -19.164 -5.883 1.00 42.44 O ATOM 484 CB ARG A 63 24.148 -21.416 -4.684 1.00 63.14 C ATOM 485 CG ARG A 63 23.608 -22.226 -3.504 1.00 22.22 C ATOM 486 CD ARG A 63 24.529 -22.208 -2.267 1.00 42.11 C ATOM 487 NE ARG A 63 24.635 -20.873 -1.662 1.00 40.33 N ATOM 488 CZ ARG A 63 25.505 -20.480 -0.736 1.00 24.12 C ATOM 489 NH1 ARG A 63 26.323 -21.365 -0.149 1.00 42.50 N ATOM 490 NH2 ARG A 63 25.542 -19.193 -0.388 1.00 11.53 N ATOM 0 H ARG A 63 22.214 -19.721 -4.575 1.00 34.20 H new ATOM 0 HA ARG A 63 24.982 -19.728 -3.632 1.00 64.41 H new ATOM 0 HB2 ARG A 63 23.494 -21.575 -5.541 1.00 63.14 H new ATOM 0 HB3 ARG A 63 25.128 -21.809 -4.954 1.00 63.14 H new ATOM 0 HG2 ARG A 63 22.630 -21.835 -3.224 1.00 22.22 H new ATOM 0 HG3 ARG A 63 23.460 -23.258 -3.821 1.00 22.22 H new ATOM 0 HD2 ARG A 63 24.149 -22.910 -1.525 1.00 42.11 H new ATOM 0 HD3 ARG A 63 25.522 -22.553 -2.553 1.00 42.11 H new ATOM 0 HE ARG A 63 23.969 -20.172 -1.987 1.00 40.33 H new ATOM 0 HH11 ARG A 63 26.282 -22.350 -0.411 1.00 42.50 H new ATOM 0 HH12 ARG A 63 26.987 -21.054 0.560 1.00 42.50 H new ATOM 0 HH21 ARG A 63 24.909 -18.527 -0.830 1.00 11.53 H new ATOM 0 HH22 ARG A 63 26.203 -18.875 0.321 1.00 11.53 H new ATOM 491 N THR A 64 23.906 -18.808 -6.521 1.00 53.20 N ATOM 492 CA THR A 64 24.342 -18.241 -7.759 1.00 12.21 C ATOM 493 C THR A 64 23.962 -16.800 -7.895 1.00 33.21 C ATOM 494 O THR A 64 23.258 -16.221 -7.065 1.00 14.00 O ATOM 495 CB THR A 64 23.793 -19.005 -9.008 1.00 22.24 C ATOM 496 OG1 THR A 64 22.379 -18.824 -9.154 1.00 43.14 O ATOM 497 CG2 THR A 64 24.054 -20.468 -8.884 1.00 15.43 C ATOM 0 H THR A 64 22.897 -18.826 -6.375 1.00 53.20 H new ATOM 0 HA THR A 64 25.428 -18.334 -7.731 1.00 12.21 H new ATOM 0 HB THR A 64 24.307 -18.597 -9.878 1.00 22.24 H new ATOM 0 HG1 THR A 64 22.204 -17.985 -9.630 1.00 43.14 H new ATOM 0 HG21 THR A 64 23.665 -20.983 -9.762 1.00 15.43 H new ATOM 0 HG22 THR A 64 25.128 -20.641 -8.808 1.00 15.43 H new ATOM 0 HG23 THR A 64 23.561 -20.851 -7.991 1.00 15.43 H new ATOM 498 N ALA A 65 24.431 -16.253 -8.971 1.00 62.43 N ATOM 499 CA ALA A 65 24.072 -14.945 -9.425 1.00 64.40 C ATOM 500 C ALA A 65 22.761 -15.100 -10.173 1.00 51.43 C ATOM 501 O ALA A 65 22.282 -16.246 -10.330 1.00 63.23 O ATOM 502 CB ALA A 65 25.155 -14.388 -10.339 1.00 4.13 C ATOM 0 H ALA A 65 25.100 -16.722 -9.581 1.00 62.43 H new ATOM 0 HA ALA A 65 23.967 -14.248 -8.594 1.00 64.40 H new ATOM 0 HB1 ALA A 65 24.869 -13.392 -10.677 1.00 4.13 H new ATOM 0 HB2 ALA A 65 26.097 -14.329 -9.793 1.00 4.13 H new ATOM 0 HB3 ALA A 65 25.276 -15.043 -11.202 1.00 4.13 H new ATOM 503 N LYS A 66 22.142 -13.991 -10.577 1.00 11.32 N ATOM 504 CA LYS A 66 20.885 -14.062 -11.319 1.00 22.45 C ATOM 505 C LYS A 66 21.079 -14.957 -12.557 1.00 13.44 C ATOM 506 O LYS A 66 22.161 -14.972 -13.163 1.00 53.20 O ATOM 507 CB LYS A 66 20.404 -12.681 -11.757 1.00 41.31 C ATOM 508 CG LYS A 66 18.921 -12.668 -12.133 1.00 14.23 C ATOM 509 CD LYS A 66 18.620 -11.799 -13.330 1.00 72.54 C ATOM 510 CE LYS A 66 19.343 -12.327 -14.556 1.00 54.11 C ATOM 511 NZ LYS A 66 18.836 -11.734 -15.806 1.00 13.35 N ATOM 0 H LYS A 66 22.485 -13.046 -10.406 1.00 11.32 H new ATOM 0 HA LYS A 66 20.126 -14.483 -10.659 1.00 22.45 H new ATOM 0 HB2 LYS A 66 20.577 -11.967 -10.952 1.00 41.31 H new ATOM 0 HB3 LYS A 66 20.995 -12.348 -12.610 1.00 41.31 H new ATOM 0 HG2 LYS A 66 18.596 -13.688 -12.341 1.00 14.23 H new ATOM 0 HG3 LYS A 66 18.340 -12.316 -11.281 1.00 14.23 H new ATOM 0 HD2 LYS A 66 17.546 -11.779 -13.513 1.00 72.54 H new ATOM 0 HD3 LYS A 66 18.929 -10.773 -13.130 1.00 72.54 H new ATOM 0 HE2 LYS A 66 20.409 -12.118 -14.464 1.00 54.11 H new ATOM 0 HE3 LYS A 66 19.233 -13.411 -14.600 1.00 54.11 H new ATOM 0 HZ1 LYS A 66 19.405 -12.074 -16.607 1.00 13.35 H new ATOM 0 HZ2 LYS A 66 17.843 -12.011 -15.944 1.00 13.35 H new ATOM 0 HZ3 LYS A 66 18.902 -10.698 -15.750 1.00 13.35 H new ATOM 512 N ASP A 67 20.038 -15.610 -12.963 1.00 73.45 N ATOM 513 CA ASP A 67 20.158 -16.655 -13.960 1.00 22.03 C ATOM 514 C ASP A 67 19.807 -16.115 -15.310 1.00 44.41 C ATOM 515 O ASP A 67 18.896 -15.306 -15.447 1.00 23.45 O ATOM 516 CB ASP A 67 19.274 -17.847 -13.611 1.00 12.51 C ATOM 517 CG ASP A 67 19.553 -19.053 -14.469 1.00 62.45 C ATOM 518 OD1 ASP A 67 19.085 -19.096 -15.619 1.00 64.14 O ATOM 519 OD2 ASP A 67 20.248 -19.978 -13.993 1.00 61.50 O ATOM 0 H ASP A 67 19.089 -15.447 -12.627 1.00 73.45 H new ATOM 0 HA ASP A 67 21.192 -17.001 -13.976 1.00 22.03 H new ATOM 0 HB2 ASP A 67 19.423 -18.110 -12.564 1.00 12.51 H new ATOM 0 HB3 ASP A 67 18.228 -17.562 -13.722 1.00 12.51 H new ATOM 520 N ASN A 68 20.574 -16.481 -16.285 1.00 15.40 N ATOM 521 CA ASN A 68 20.366 -15.989 -17.627 1.00 13.44 C ATOM 522 C ASN A 68 19.979 -17.083 -18.602 1.00 40.23 C ATOM 523 O ASN A 68 19.913 -16.856 -19.809 1.00 64.45 O ATOM 524 CB ASN A 68 21.547 -15.175 -18.123 1.00 62.33 C ATOM 525 CG ASN A 68 21.787 -13.920 -17.277 1.00 31.30 C ATOM 526 OD1 ASN A 68 21.172 -12.870 -17.498 1.00 42.44 O ATOM 527 ND2 ASN A 68 22.677 -14.011 -16.309 1.00 33.24 N ATOM 0 H ASN A 68 21.359 -17.124 -16.185 1.00 15.40 H new ATOM 0 HA ASN A 68 19.511 -15.315 -17.574 1.00 13.44 H new ATOM 0 HB2 ASN A 68 22.443 -15.795 -18.111 1.00 62.33 H new ATOM 0 HB3 ASN A 68 21.375 -14.884 -19.159 1.00 62.33 H new ATOM 0 HD21 ASN A 68 22.874 -13.202 -15.719 1.00 33.24 H new ATOM 0 HD22 ASN A 68 23.169 -14.890 -16.150 1.00 33.24 H new ATOM 528 N ARG A 69 19.781 -18.278 -18.112 1.00 43.45 N ATOM 529 CA ARG A 69 19.385 -19.369 -18.982 1.00 55.23 C ATOM 530 C ARG A 69 17.905 -19.569 -18.879 1.00 12.21 C ATOM 531 O ARG A 69 17.267 -20.112 -19.773 1.00 4.31 O ATOM 532 CB ARG A 69 20.155 -20.658 -18.670 1.00 33.24 C ATOM 533 CG ARG A 69 21.657 -20.525 -18.874 1.00 34.13 C ATOM 534 CD ARG A 69 21.962 -20.024 -20.279 1.00 4.42 C ATOM 535 NE ARG A 69 23.404 -19.850 -20.525 1.00 54.45 N ATOM 536 CZ ARG A 69 23.934 -18.874 -21.293 1.00 24.23 C ATOM 537 NH1 ARG A 69 23.145 -17.913 -21.807 1.00 33.01 N ATOM 538 NH2 ARG A 69 25.253 -18.849 -21.524 1.00 53.23 N ATOM 0 H ARG A 69 19.884 -18.526 -17.128 1.00 43.45 H new ATOM 0 HA ARG A 69 19.637 -19.107 -20.010 1.00 55.23 H new ATOM 0 HB2 ARG A 69 19.960 -20.949 -17.638 1.00 33.24 H new ATOM 0 HB3 ARG A 69 19.779 -21.461 -19.304 1.00 33.24 H new ATOM 0 HG2 ARG A 69 22.070 -19.835 -18.138 1.00 34.13 H new ATOM 0 HG3 ARG A 69 22.139 -21.489 -18.713 1.00 34.13 H new ATOM 0 HD2 ARG A 69 21.557 -20.728 -21.006 1.00 4.42 H new ATOM 0 HD3 ARG A 69 21.454 -19.073 -20.438 1.00 4.42 H new ATOM 0 HE ARG A 69 24.045 -20.511 -20.086 1.00 54.45 H new ATOM 0 HH11 ARG A 69 22.143 -17.920 -21.617 1.00 33.01 H new ATOM 0 HH12 ARG A 69 23.549 -17.177 -22.387 1.00 33.01 H new ATOM 0 HH21 ARG A 69 25.855 -19.566 -21.120 1.00 53.23 H new ATOM 0 HH22 ARG A 69 25.655 -18.113 -22.104 1.00 53.23 H new ATOM 539 N ASN A 70 17.375 -19.101 -17.799 1.00 25.34 N ATOM 540 CA ASN A 70 15.958 -19.142 -17.549 1.00 41.11 C ATOM 541 C ASN A 70 15.284 -17.941 -18.161 1.00 30.10 C ATOM 542 O ASN A 70 15.590 -16.805 -17.790 1.00 24.32 O ATOM 543 CB ASN A 70 15.656 -19.174 -16.050 1.00 35.33 C ATOM 544 CG ASN A 70 15.781 -20.543 -15.430 1.00 52.41 C ATOM 545 OD1 ASN A 70 14.808 -21.288 -15.368 1.00 45.42 O ATOM 546 ND2 ASN A 70 16.955 -20.894 -14.980 1.00 1.41 N ATOM 0 H ASN A 70 17.915 -18.671 -17.048 1.00 25.34 H new ATOM 0 HA ASN A 70 15.573 -20.055 -18.003 1.00 41.11 H new ATOM 0 HB2 ASN A 70 16.334 -18.491 -15.538 1.00 35.33 H new ATOM 0 HB3 ASN A 70 14.645 -18.802 -15.885 1.00 35.33 H new ATOM 0 HD21 ASN A 70 17.086 -21.814 -14.560 1.00 1.41 H new ATOM 0 HD22 ASN A 70 17.741 -20.248 -15.049 1.00 1.41 H new ATOM 547 N PRO A 71 14.328 -18.154 -19.100 1.00 64.21 N ATOM 548 CA PRO A 71 13.575 -17.055 -19.736 1.00 13.22 C ATOM 549 C PRO A 71 12.735 -16.301 -18.701 1.00 43.54 C ATOM 550 O PRO A 71 12.360 -15.146 -18.880 1.00 21.35 O ATOM 551 CB PRO A 71 12.664 -17.773 -20.747 1.00 33.00 C ATOM 552 CG PRO A 71 12.608 -19.193 -20.291 1.00 14.51 C ATOM 553 CD PRO A 71 13.923 -19.475 -19.626 1.00 53.14 C ATOM 0 HA PRO A 71 14.225 -16.313 -20.200 1.00 13.22 H new ATOM 0 HB2 PRO A 71 11.670 -17.327 -20.766 1.00 33.00 H new ATOM 0 HB3 PRO A 71 13.065 -17.700 -21.758 1.00 33.00 H new ATOM 0 HG2 PRO A 71 11.781 -19.346 -19.598 1.00 14.51 H new ATOM 0 HG3 PRO A 71 12.446 -19.866 -21.133 1.00 14.51 H new ATOM 0 HD2 PRO A 71 13.821 -20.211 -18.829 1.00 53.14 H new ATOM 0 HD3 PRO A 71 14.655 -19.869 -20.332 1.00 53.14 H new ATOM 554 N THR A 72 12.497 -16.965 -17.602 1.00 73.11 N ATOM 555 CA THR A 72 11.768 -16.451 -16.496 1.00 21.52 C ATOM 556 C THR A 72 12.610 -15.426 -15.712 1.00 32.14 C ATOM 557 O THR A 72 12.074 -14.617 -14.936 1.00 52.02 O ATOM 558 CB THR A 72 11.389 -17.639 -15.611 1.00 25.24 C ATOM 559 OG1 THR A 72 12.477 -18.581 -15.667 1.00 53.22 O ATOM 560 CG2 THR A 72 10.115 -18.306 -16.113 1.00 64.13 C ATOM 0 H THR A 72 12.824 -17.920 -17.456 1.00 73.11 H new ATOM 0 HA THR A 72 10.874 -15.929 -16.837 1.00 21.52 H new ATOM 0 HB THR A 72 11.209 -17.300 -14.591 1.00 25.24 H new ATOM 0 HG1 THR A 72 12.267 -19.357 -15.107 1.00 53.22 H new ATOM 0 HG21 THR A 72 9.866 -19.148 -15.467 1.00 64.13 H new ATOM 0 HG22 THR A 72 9.298 -17.585 -16.100 1.00 64.13 H new ATOM 0 HG23 THR A 72 10.268 -18.663 -17.131 1.00 64.13 H new ATOM 561 N CYS A 73 13.904 -15.447 -15.948 1.00 62.02 N ATOM 562 CA CYS A 73 14.830 -14.564 -15.289 1.00 43.23 C ATOM 563 C CYS A 73 15.393 -13.523 -16.232 1.00 13.34 C ATOM 564 O CYS A 73 16.356 -12.827 -15.881 1.00 2.43 O ATOM 565 CB CYS A 73 15.972 -15.350 -14.682 1.00 52.31 C ATOM 566 SG CYS A 73 15.522 -16.383 -13.266 1.00 52.45 S ATOM 0 H CYS A 73 14.343 -16.086 -16.611 1.00 62.02 H new ATOM 0 HA CYS A 73 14.273 -14.051 -14.505 1.00 43.23 H new ATOM 0 HB2 CYS A 73 16.406 -15.986 -15.453 1.00 52.31 H new ATOM 0 HB3 CYS A 73 16.749 -14.652 -14.371 1.00 52.31 H new ATOM 567 N TRP A 74 14.833 -13.394 -17.414 1.00 10.22 N ATOM 568 CA TRP A 74 15.311 -12.364 -18.308 1.00 50.44 C ATOM 569 C TRP A 74 14.741 -11.006 -17.967 1.00 23.03 C ATOM 570 O TRP A 74 13.660 -10.624 -18.412 1.00 50.44 O ATOM 571 CB TRP A 74 15.164 -12.726 -19.784 1.00 71.10 C ATOM 572 CG TRP A 74 16.304 -13.566 -20.275 1.00 1.44 C ATOM 573 CD1 TRP A 74 16.514 -14.889 -20.048 1.00 2.21 C ATOM 574 CD2 TRP A 74 17.409 -13.118 -21.072 1.00 2.54 C ATOM 575 NE1 TRP A 74 17.679 -15.291 -20.646 1.00 33.04 N ATOM 576 CE2 TRP A 74 18.244 -14.224 -21.284 1.00 22.12 C ATOM 577 CE3 TRP A 74 17.770 -11.883 -21.626 1.00 15.41 C ATOM 578 CZ2 TRP A 74 19.420 -14.142 -22.026 1.00 43.22 C ATOM 579 CZ3 TRP A 74 18.935 -11.801 -22.362 1.00 54.04 C ATOM 580 CH2 TRP A 74 19.747 -12.924 -22.556 1.00 4.30 C ATOM 0 H TRP A 74 14.070 -13.969 -17.771 1.00 10.22 H new ATOM 0 HA TRP A 74 16.386 -12.295 -18.144 1.00 50.44 H new ATOM 0 HB2 TRP A 74 14.228 -13.264 -19.933 1.00 71.10 H new ATOM 0 HB3 TRP A 74 15.105 -11.813 -20.377 1.00 71.10 H new ATOM 0 HD1 TRP A 74 15.858 -15.531 -19.479 1.00 2.21 H new ATOM 0 HE1 TRP A 74 18.063 -16.236 -20.619 1.00 33.04 H new ATOM 0 HE3 TRP A 74 17.149 -11.012 -21.480 1.00 15.41 H new ATOM 0 HZ2 TRP A 74 20.049 -15.007 -22.177 1.00 43.22 H new ATOM 0 HZ3 TRP A 74 19.224 -10.855 -22.795 1.00 54.04 H new ATOM 0 HH2 TRP A 74 20.652 -12.827 -23.137 1.00 4.30 H new ATOM 581 N ALA A 75 15.502 -10.362 -17.100 1.00 32.15 N ATOM 582 CA ALA A 75 15.372 -9.055 -16.544 1.00 2.32 C ATOM 583 C ALA A 75 16.231 -9.149 -15.293 1.00 43.22 C ATOM 584 O ALA A 75 15.689 -9.098 -14.167 1.00 2.44 O ATOM 585 CB ALA A 75 13.933 -8.719 -16.165 1.00 11.53 C ATOM 0 H ALA A 75 16.334 -10.820 -16.729 1.00 32.15 H new ATOM 0 HA ALA A 75 15.668 -8.275 -17.245 1.00 2.32 H new ATOM 0 HB1 ALA A 75 13.892 -7.713 -15.747 1.00 11.53 H new ATOM 0 HB2 ALA A 75 13.302 -8.769 -17.052 1.00 11.53 H new ATOM 0 HB3 ALA A 75 13.575 -9.434 -15.424 1.00 11.53 H new TER 586 ALA A 75