USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 728 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 53 LYS NZ :NH3+ 167:sc= -1.36 (180deg=-2.14) USER MOD Set 1.2: A 85 MET CE :methyl 162:sc= 0 (180deg=-0.278) USER MOD Set 2.1: A 41 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 92 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 5 LYS NZ :NH3+ -173:sc= -1.41 (180deg=-1.63) USER MOD Set 3.2: A 100 GLN : amide:sc= -7.38! C(o=-8.8!,f=-10!) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0763 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 ASN : amide:sc= -4.85! C(o=-4.8!,f=-9.8!) USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.111 USER MOD Single : A 12 ASN : amide:sc= -2.52! C(o=-2.5!,f=-2.3!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.569 K(o=-0.57,f=-2.8!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= -1.41 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.818 X(o=-0.82,f=-0.66) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0897 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 20:sc= 0.0227 USER MOD Single : A 55 THR OG1 : rot 122:sc= 1.26 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= -0.037 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -2.01 K(o=-2,f=-6!) USER MOD Single : A 69 ASN : amide:sc= -0.246 X(o=-0.25,f=-0.26) USER MOD Single : A 71 SER OG : rot 66:sc= -1.56 USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 37:sc= 0.114 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 30:sc= 0.984 USER MOD Single : A 83 HIS : no HD1:sc= -0.143 K(o=-0.14,f=-0.74) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 62:sc= 1.2 USER MOD Single : A 91 ASN : amide:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot -139:sc= 1.56 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.898 -0.459 0.155 1.00 30.02 N ATOM 2 CA GLY A 1 2.114 -0.193 -0.590 1.00 63.24 C ATOM 3 C GLY A 1 2.979 -1.428 -0.749 1.00 31.13 C ATOM 4 O GLY A 1 2.544 -2.540 -0.454 1.00 30.34 O ATOM 0 H1 GLY A 1 0.073 -0.194 -0.420 1.00 30.02 H new ATOM 0 H2 GLY A 1 0.847 -1.472 0.387 1.00 30.02 H new ATOM 0 H3 GLY A 1 0.900 0.098 1.034 1.00 30.02 H new ATOM 0 HA2 GLY A 1 1.855 0.195 -1.575 1.00 63.24 H new ATOM 0 HA3 GLY A 1 2.685 0.584 -0.082 1.00 63.24 H new ATOM 8 N ASN A 2 4.207 -1.233 -1.218 1.00 1.53 N ATOM 9 CA ASN A 2 5.134 -2.340 -1.417 1.00 64.31 C ATOM 10 C ASN A 2 6.198 -2.363 -0.324 1.00 1.14 C ATOM 11 O ASN A 2 6.162 -1.560 0.609 1.00 21.32 O ATOM 12 CB ASN A 2 5.801 -2.234 -2.790 1.00 52.03 C ATOM 13 CG ASN A 2 4.847 -2.562 -3.923 1.00 21.23 C ATOM 14 OD1 ASN A 2 4.080 -1.710 -4.370 1.00 14.45 O ATOM 15 ND2 ASN A 2 4.891 -3.804 -4.392 1.00 45.54 N ATOM 0 H ASN A 2 4.583 -0.318 -1.467 1.00 1.53 H new ATOM 0 HA ASN A 2 4.566 -3.269 -1.366 1.00 64.31 H new ATOM 0 HB2 ASN A 2 6.189 -1.224 -2.926 1.00 52.03 H new ATOM 0 HB3 ASN A 2 6.654 -2.911 -2.830 1.00 52.03 H new ATOM 0 HD21 ASN A 2 4.273 -4.084 -5.153 1.00 45.54 H new ATOM 0 HD22 ASN A 2 5.543 -4.478 -3.991 1.00 45.54 H new ATOM 22 N VAL A 3 7.145 -3.288 -0.446 1.00 1.33 N ATOM 23 CA VAL A 3 8.220 -3.414 0.531 1.00 64.43 C ATOM 24 C VAL A 3 9.579 -3.155 -0.111 1.00 13.50 C ATOM 25 O VAL A 3 10.068 -3.961 -0.903 1.00 52.24 O ATOM 26 CB VAL A 3 8.229 -4.812 1.178 1.00 65.24 C ATOM 27 CG1 VAL A 3 7.193 -4.894 2.287 1.00 14.24 C ATOM 28 CG2 VAL A 3 7.985 -5.886 0.128 1.00 10.02 C ATOM 0 H VAL A 3 7.189 -3.961 -1.211 1.00 1.33 H new ATOM 0 HA VAL A 3 8.037 -2.666 1.302 1.00 64.43 H new ATOM 0 HB VAL A 3 9.211 -4.983 1.619 1.00 65.24 H new ATOM 0 HG11 VAL A 3 7.214 -5.889 2.732 1.00 14.24 H new ATOM 0 HG12 VAL A 3 7.418 -4.150 3.051 1.00 14.24 H new ATOM 0 HG13 VAL A 3 6.202 -4.702 1.874 1.00 14.24 H new ATOM 0 HG21 VAL A 3 7.995 -6.867 0.602 1.00 10.02 H new ATOM 0 HG22 VAL A 3 7.016 -5.720 -0.344 1.00 10.02 H new ATOM 0 HG23 VAL A 3 8.769 -5.841 -0.628 1.00 10.02 H new ATOM 38 N LEU A 4 10.184 -2.024 0.236 1.00 23.44 N ATOM 39 CA LEU A 4 11.488 -1.657 -0.305 1.00 62.32 C ATOM 40 C LEU A 4 12.439 -1.227 0.808 1.00 55.04 C ATOM 41 O LEU A 4 12.014 -0.670 1.821 1.00 65.43 O ATOM 42 CB LEU A 4 11.338 -0.530 -1.328 1.00 5.30 C ATOM 43 CG LEU A 4 10.305 0.546 -0.994 1.00 54.32 C ATOM 44 CD1 LEU A 4 10.764 1.904 -1.502 1.00 3.10 C ATOM 45 CD2 LEU A 4 8.949 0.185 -1.584 1.00 43.13 C ATOM 0 H LEU A 4 9.792 -1.346 0.889 1.00 23.44 H new ATOM 0 HA LEU A 4 11.909 -2.533 -0.798 1.00 62.32 H new ATOM 0 HB2 LEU A 4 12.308 -0.048 -1.453 1.00 5.30 H new ATOM 0 HB3 LEU A 4 11.075 -0.972 -2.289 1.00 5.30 H new ATOM 0 HG LEU A 4 10.205 0.602 0.090 1.00 54.32 H new ATOM 0 HD11 LEU A 4 10.016 2.657 -1.255 1.00 3.10 H new ATOM 0 HD12 LEU A 4 11.712 2.167 -1.032 1.00 3.10 H new ATOM 0 HD13 LEU A 4 10.894 1.863 -2.583 1.00 3.10 H new ATOM 0 HD21 LEU A 4 8.226 0.962 -1.336 1.00 43.13 H new ATOM 0 HD22 LEU A 4 9.034 0.101 -2.667 1.00 43.13 H new ATOM 0 HD23 LEU A 4 8.614 -0.767 -1.171 1.00 43.13 H new ATOM 57 N LYS A 5 13.727 -1.487 0.612 1.00 52.54 N ATOM 58 CA LYS A 5 14.739 -1.124 1.596 1.00 3.50 C ATOM 59 C LYS A 5 16.136 -1.182 0.987 1.00 64.33 C ATOM 60 O LYS A 5 16.813 -0.162 0.862 1.00 33.33 O ATOM 61 CB LYS A 5 14.660 -2.056 2.807 1.00 10.31 C ATOM 62 CG LYS A 5 15.474 -1.577 3.997 1.00 34.32 C ATOM 63 CD LYS A 5 14.850 -0.352 4.643 1.00 54.52 C ATOM 64 CE LYS A 5 15.644 0.105 5.857 1.00 64.43 C ATOM 65 NZ LYS A 5 16.158 -1.047 6.648 1.00 30.44 N ATOM 0 H LYS A 5 14.095 -1.948 -0.220 1.00 52.54 H new ATOM 0 HA LYS A 5 14.545 -0.101 1.919 1.00 3.50 H new ATOM 0 HB2 LYS A 5 13.618 -2.159 3.108 1.00 10.31 H new ATOM 0 HB3 LYS A 5 15.007 -3.047 2.515 1.00 10.31 H new ATOM 0 HG2 LYS A 5 15.551 -2.378 4.732 1.00 34.32 H new ATOM 0 HG3 LYS A 5 16.488 -1.342 3.674 1.00 34.32 H new ATOM 0 HD2 LYS A 5 14.798 0.458 3.915 1.00 54.52 H new ATOM 0 HD3 LYS A 5 13.826 -0.578 4.941 1.00 54.52 H new ATOM 0 HE2 LYS A 5 16.480 0.725 5.532 1.00 64.43 H new ATOM 0 HE3 LYS A 5 15.013 0.728 6.491 1.00 64.43 H new ATOM 0 HZ1 LYS A 5 16.590 -0.699 7.527 1.00 30.44 H new ATOM 0 HZ2 LYS A 5 15.372 -1.688 6.879 1.00 30.44 H new ATOM 0 HZ3 LYS A 5 16.871 -1.560 6.091 1.00 30.44 H new ATOM 79 N ASN A 6 16.562 -2.383 0.607 1.00 35.12 N ATOM 80 CA ASN A 6 17.878 -2.574 0.010 1.00 61.14 C ATOM 81 C ASN A 6 17.878 -2.145 -1.455 1.00 23.54 C ATOM 82 O ASN A 6 16.836 -2.133 -2.108 1.00 42.12 O ATOM 83 CB ASN A 6 18.305 -4.039 0.124 1.00 44.20 C ATOM 84 CG ASN A 6 19.799 -4.190 0.337 1.00 62.30 C ATOM 85 OD1 ASN A 6 20.566 -3.252 0.123 1.00 44.34 O ATOM 86 ND2 ASN A 6 20.219 -5.377 0.761 1.00 52.22 N ATOM 0 H ASN A 6 16.014 -3.238 0.702 1.00 35.12 H new ATOM 0 HA ASN A 6 18.590 -1.952 0.553 1.00 61.14 H new ATOM 0 HB2 ASN A 6 17.773 -4.506 0.953 1.00 44.20 H new ATOM 0 HB3 ASN A 6 18.014 -4.571 -0.782 1.00 44.20 H new ATOM 0 HD21 ASN A 6 21.213 -5.539 0.922 1.00 52.22 H new ATOM 0 HD22 ASN A 6 19.547 -6.127 0.926 1.00 52.22 H new ATOM 93 N ASN A 7 19.055 -1.795 -1.963 1.00 24.41 N ATOM 94 CA ASN A 7 19.192 -1.366 -3.350 1.00 32.20 C ATOM 95 C ASN A 7 18.944 0.133 -3.482 1.00 52.43 C ATOM 96 O ASN A 7 19.860 0.903 -3.773 1.00 64.22 O ATOM 97 CB ASN A 7 18.216 -2.136 -4.242 1.00 62.42 C ATOM 98 CG ASN A 7 18.730 -2.292 -5.661 1.00 31.55 C ATOM 99 OD1 ASN A 7 19.512 -1.473 -6.143 1.00 20.20 O ATOM 100 ND2 ASN A 7 18.291 -3.348 -6.336 1.00 32.22 N ATOM 0 H ASN A 7 19.928 -1.800 -1.435 1.00 24.41 H new ATOM 0 HA ASN A 7 20.212 -1.577 -3.671 1.00 32.20 H new ATOM 0 HB2 ASN A 7 18.036 -3.122 -3.813 1.00 62.42 H new ATOM 0 HB3 ASN A 7 17.258 -1.617 -4.260 1.00 62.42 H new ATOM 0 HD21 ASN A 7 18.602 -3.506 -7.295 1.00 32.22 H new ATOM 0 HD22 ASN A 7 17.643 -4.001 -5.896 1.00 32.22 H new ATOM 107 N THR A 8 17.698 0.543 -3.266 1.00 13.10 N ATOM 108 CA THR A 8 17.328 1.950 -3.361 1.00 62.33 C ATOM 109 C THR A 8 16.739 2.453 -2.049 1.00 15.41 C ATOM 110 O THR A 8 15.731 1.944 -1.557 1.00 25.11 O ATOM 111 CB THR A 8 16.311 2.188 -4.493 1.00 33.21 C ATOM 112 OG1 THR A 8 16.835 1.701 -5.733 1.00 74.53 O ATOM 113 CG2 THR A 8 15.981 3.667 -4.622 1.00 44.40 C ATOM 0 H THR A 8 16.927 -0.080 -3.024 1.00 13.10 H new ATOM 0 HA THR A 8 18.241 2.503 -3.581 1.00 62.33 H new ATOM 0 HB THR A 8 15.396 1.648 -4.249 1.00 33.21 H new ATOM 0 HG1 THR A 8 16.182 1.855 -6.447 1.00 74.53 H new ATOM 0 HG21 THR A 8 15.261 3.810 -5.428 1.00 44.40 H new ATOM 0 HG22 THR A 8 15.555 4.028 -3.686 1.00 44.40 H new ATOM 0 HG23 THR A 8 16.891 4.225 -4.845 1.00 44.40 H new ATOM 121 N PRO A 9 17.378 3.479 -1.467 1.00 22.43 N ATOM 122 CA PRO A 9 16.933 4.075 -0.203 1.00 63.55 C ATOM 123 C PRO A 9 15.628 4.848 -0.355 1.00 73.43 C ATOM 124 O PRO A 9 15.306 5.336 -1.439 1.00 21.13 O ATOM 125 CB PRO A 9 18.077 5.023 0.163 1.00 0.34 C ATOM 126 CG PRO A 9 18.721 5.361 -1.137 1.00 11.11 C ATOM 127 CD PRO A 9 18.585 4.135 -1.997 1.00 52.31 C ATOM 0 HA PRO A 9 16.728 3.319 0.555 1.00 63.55 H new ATOM 0 HB2 PRO A 9 17.705 5.917 0.665 1.00 0.34 H new ATOM 0 HB3 PRO A 9 18.784 4.547 0.843 1.00 0.34 H new ATOM 0 HG2 PRO A 9 18.236 6.219 -1.601 1.00 11.11 H new ATOM 0 HG3 PRO A 9 19.769 5.625 -0.996 1.00 11.11 H new ATOM 0 HD2 PRO A 9 18.473 4.393 -3.050 1.00 52.31 H new ATOM 0 HD3 PRO A 9 19.460 3.490 -1.919 1.00 52.31 H new ATOM 135 N VAL A 10 14.879 4.956 0.738 1.00 73.25 N ATOM 136 CA VAL A 10 13.608 5.671 0.726 1.00 44.30 C ATOM 137 C VAL A 10 13.821 7.171 0.899 1.00 52.00 C ATOM 138 O VAL A 10 14.293 7.625 1.941 1.00 42.41 O ATOM 139 CB VAL A 10 12.669 5.165 1.837 1.00 42.40 C ATOM 140 CG1 VAL A 10 11.307 5.833 1.730 1.00 11.50 C ATOM 141 CG2 VAL A 10 12.536 3.651 1.773 1.00 2.41 C ATOM 0 H VAL A 10 15.130 4.558 1.643 1.00 73.25 H new ATOM 0 HA VAL A 10 13.146 5.481 -0.243 1.00 44.30 H new ATOM 0 HB VAL A 10 13.101 5.428 2.802 1.00 42.40 H new ATOM 0 HG11 VAL A 10 10.657 5.463 2.523 1.00 11.50 H new ATOM 0 HG12 VAL A 10 11.422 6.912 1.829 1.00 11.50 H new ATOM 0 HG13 VAL A 10 10.864 5.603 0.761 1.00 11.50 H new ATOM 0 HG21 VAL A 10 11.869 3.311 2.565 1.00 2.41 H new ATOM 0 HG22 VAL A 10 12.127 3.362 0.805 1.00 2.41 H new ATOM 0 HG23 VAL A 10 13.517 3.194 1.903 1.00 2.41 H new ATOM 151 N SER A 11 13.468 7.936 -0.129 1.00 61.45 N ATOM 152 CA SER A 11 13.623 9.385 -0.093 1.00 0.11 C ATOM 153 C SER A 11 12.444 10.040 0.620 1.00 75.32 C ATOM 154 O SER A 11 11.301 9.607 0.478 1.00 31.43 O ATOM 155 CB SER A 11 13.749 9.942 -1.512 1.00 75.24 C ATOM 156 OG SER A 11 13.229 9.031 -2.465 1.00 73.33 O ATOM 0 H SER A 11 13.072 7.576 -0.998 1.00 61.45 H new ATOM 0 HA SER A 11 14.533 9.614 0.461 1.00 0.11 H new ATOM 0 HB2 SER A 11 13.216 10.890 -1.582 1.00 75.24 H new ATOM 0 HB3 SER A 11 14.796 10.147 -1.734 1.00 75.24 H new ATOM 0 HG SER A 11 13.320 9.411 -3.364 1.00 73.33 H new ATOM 162 N ASN A 12 12.731 11.087 1.387 1.00 73.43 N ATOM 163 CA ASN A 12 11.695 11.802 2.123 1.00 74.21 C ATOM 164 C ASN A 12 10.811 10.831 2.901 1.00 63.04 C ATOM 165 O ASN A 12 9.763 10.403 2.416 1.00 51.33 O ATOM 166 CB ASN A 12 10.839 12.631 1.164 1.00 55.24 C ATOM 167 CG ASN A 12 10.782 14.095 1.557 1.00 30.32 C ATOM 168 OD1 ASN A 12 11.630 14.891 1.154 1.00 70.34 O ATOM 169 ND2 ASN A 12 9.779 14.456 2.350 1.00 64.33 N ATOM 0 H ASN A 12 13.672 11.459 1.515 1.00 73.43 H new ATOM 0 HA ASN A 12 12.184 12.469 2.833 1.00 74.21 H new ATOM 0 HB2 ASN A 12 11.241 12.544 0.155 1.00 55.24 H new ATOM 0 HB3 ASN A 12 9.828 12.225 1.140 1.00 55.24 H new ATOM 0 HD21 ASN A 12 9.689 15.427 2.649 1.00 64.33 H new ATOM 0 HD22 ASN A 12 9.099 13.762 2.660 1.00 64.33 H new ATOM 176 N LEU A 13 11.241 10.487 4.110 1.00 44.44 N ATOM 177 CA LEU A 13 10.490 9.567 4.956 1.00 12.32 C ATOM 178 C LEU A 13 9.336 10.285 5.650 1.00 25.33 C ATOM 179 O LEU A 13 9.046 11.445 5.357 1.00 11.15 O ATOM 180 CB LEU A 13 11.412 8.933 5.999 1.00 43.23 C ATOM 181 CG LEU A 13 11.605 7.420 5.893 1.00 52.02 C ATOM 182 CD1 LEU A 13 10.300 6.694 6.182 1.00 10.40 C ATOM 183 CD2 LEU A 13 12.132 7.045 4.516 1.00 62.44 C ATOM 0 H LEU A 13 12.106 10.832 4.526 1.00 44.44 H new ATOM 0 HA LEU A 13 10.077 8.783 4.321 1.00 12.32 H new ATOM 0 HB2 LEU A 13 12.390 9.410 5.928 1.00 43.23 H new ATOM 0 HB3 LEU A 13 11.018 9.160 6.989 1.00 43.23 H new ATOM 0 HG LEU A 13 12.340 7.114 6.637 1.00 52.02 H new ATOM 0 HD11 LEU A 13 10.457 5.618 6.102 1.00 10.40 H new ATOM 0 HD12 LEU A 13 9.964 6.938 7.190 1.00 10.40 H new ATOM 0 HD13 LEU A 13 9.543 7.005 5.462 1.00 10.40 H new ATOM 0 HD21 LEU A 13 12.263 5.964 4.459 1.00 62.44 H new ATOM 0 HD22 LEU A 13 11.421 7.365 3.755 1.00 62.44 H new ATOM 0 HD23 LEU A 13 13.090 7.536 4.347 1.00 62.44 H new ATOM 195 N THR A 14 8.682 9.587 6.574 1.00 44.20 N ATOM 196 CA THR A 14 7.562 10.157 7.311 1.00 53.20 C ATOM 197 C THR A 14 7.610 9.757 8.781 1.00 2.32 C ATOM 198 O THR A 14 7.927 8.616 9.114 1.00 15.01 O ATOM 199 CB THR A 14 6.213 9.713 6.714 1.00 11.21 C ATOM 200 OG1 THR A 14 6.278 8.336 6.328 1.00 35.22 O ATOM 201 CG2 THR A 14 5.848 10.566 5.509 1.00 54.23 C ATOM 0 H THR A 14 8.909 8.626 6.829 1.00 44.20 H new ATOM 0 HA THR A 14 7.649 11.240 7.229 1.00 53.20 H new ATOM 0 HB THR A 14 5.444 9.840 7.476 1.00 11.21 H new ATOM 0 HG1 THR A 14 5.416 8.061 5.951 1.00 35.22 H new ATOM 0 HG21 THR A 14 4.892 10.234 5.104 1.00 54.23 H new ATOM 0 HG22 THR A 14 5.771 11.610 5.812 1.00 54.23 H new ATOM 0 HG23 THR A 14 6.619 10.466 4.745 1.00 54.23 H new ATOM 209 N GLY A 15 7.294 10.705 9.658 1.00 14.14 N ATOM 210 CA GLY A 15 7.307 10.431 11.083 1.00 12.25 C ATOM 211 C GLY A 15 6.166 11.110 11.815 1.00 73.21 C ATOM 212 O GLY A 15 6.381 12.051 12.578 1.00 70.42 O ATOM 0 H GLY A 15 7.029 11.658 9.407 1.00 14.14 H new ATOM 0 HA2 GLY A 15 7.248 9.354 11.243 1.00 12.25 H new ATOM 0 HA3 GLY A 15 8.255 10.764 11.505 1.00 12.25 H new ATOM 216 N ASN A 16 4.948 10.633 11.581 1.00 74.55 N ATOM 217 CA ASN A 16 3.767 11.201 12.221 1.00 4.24 C ATOM 218 C ASN A 16 3.665 10.747 13.674 1.00 4.14 C ATOM 219 O ASN A 16 4.166 9.684 14.041 1.00 61.30 O ATOM 220 CB ASN A 16 2.503 10.798 11.459 1.00 4.14 C ATOM 221 CG ASN A 16 1.344 11.740 11.723 1.00 45.14 C ATOM 222 OD1 ASN A 16 1.524 12.821 12.283 1.00 11.41 O ATOM 223 ND2 ASN A 16 0.147 11.332 11.318 1.00 1.23 N ATOM 0 H ASN A 16 4.753 9.854 10.952 1.00 74.55 H new ATOM 0 HA ASN A 16 3.862 12.287 12.203 1.00 4.24 H new ATOM 0 HB2 ASN A 16 2.717 10.780 10.390 1.00 4.14 H new ATOM 0 HB3 ASN A 16 2.217 9.786 11.744 1.00 4.14 H new ATOM 0 HD21 ASN A 16 -0.671 11.923 11.467 1.00 1.23 H new ATOM 0 HD22 ASN A 16 0.045 10.427 10.858 1.00 1.23 H new ATOM 230 N LYS A 17 3.013 11.560 14.498 1.00 12.11 N ATOM 231 CA LYS A 17 2.842 11.243 15.911 1.00 62.30 C ATOM 232 C LYS A 17 2.297 9.829 16.089 1.00 3.22 C ATOM 233 O LYS A 17 2.638 9.138 17.048 1.00 3.44 O ATOM 234 CB LYS A 17 1.899 12.251 16.571 1.00 2.21 C ATOM 235 CG LYS A 17 2.574 13.560 16.945 1.00 35.34 C ATOM 236 CD LYS A 17 2.366 14.620 15.877 1.00 74.22 C ATOM 237 CE LYS A 17 1.989 15.961 16.488 1.00 62.11 C ATOM 238 NZ LYS A 17 0.583 15.972 16.979 1.00 62.34 N ATOM 0 H LYS A 17 2.594 12.445 14.211 1.00 12.11 H new ATOM 0 HA LYS A 17 3.819 11.301 16.391 1.00 62.30 H new ATOM 0 HB2 LYS A 17 1.071 12.459 15.893 1.00 2.21 H new ATOM 0 HB3 LYS A 17 1.472 11.803 17.468 1.00 2.21 H new ATOM 0 HG2 LYS A 17 2.177 13.917 17.895 1.00 35.34 H new ATOM 0 HG3 LYS A 17 3.641 13.392 17.089 1.00 35.34 H new ATOM 0 HD2 LYS A 17 3.278 14.730 15.290 1.00 74.22 H new ATOM 0 HD3 LYS A 17 1.582 14.298 15.191 1.00 74.22 H new ATOM 0 HE2 LYS A 17 2.664 16.186 17.314 1.00 62.11 H new ATOM 0 HE3 LYS A 17 2.120 16.748 15.745 1.00 62.11 H new ATOM 0 HZ1 LYS A 17 0.365 16.903 17.388 1.00 62.34 H new ATOM 0 HZ2 LYS A 17 -0.063 15.782 16.186 1.00 62.34 H new ATOM 0 HZ3 LYS A 17 0.463 15.238 17.706 1.00 62.34 H new ATOM 252 N GLY A 18 1.449 9.405 15.157 1.00 21.33 N ATOM 253 CA GLY A 18 0.872 8.075 15.230 1.00 42.03 C ATOM 254 C GLY A 18 1.203 7.232 14.014 1.00 4.31 C ATOM 255 O GLY A 18 1.702 6.114 14.143 1.00 53.14 O ATOM 0 H GLY A 18 1.151 9.958 14.353 1.00 21.33 H new ATOM 0 HA2 GLY A 18 1.236 7.573 16.126 1.00 42.03 H new ATOM 0 HA3 GLY A 18 -0.211 8.157 15.328 1.00 42.03 H new ATOM 259 N SER A 19 0.925 7.769 12.830 1.00 32.23 N ATOM 260 CA SER A 19 1.191 7.056 11.586 1.00 4.13 C ATOM 261 C SER A 19 2.637 6.572 11.537 1.00 45.35 C ATOM 262 O SER A 19 3.463 6.968 12.358 1.00 25.23 O ATOM 263 CB SER A 19 0.902 7.958 10.385 1.00 53.00 C ATOM 264 OG SER A 19 0.708 7.193 9.208 1.00 52.10 O ATOM 0 H SER A 19 0.516 8.695 12.706 1.00 32.23 H new ATOM 0 HA SER A 19 0.534 6.188 11.545 1.00 4.13 H new ATOM 0 HB2 SER A 19 0.014 8.559 10.583 1.00 53.00 H new ATOM 0 HB3 SER A 19 1.730 8.652 10.239 1.00 53.00 H new ATOM 0 HG SER A 19 0.523 7.792 8.455 1.00 52.10 H new ATOM 270 N GLU A 20 2.935 5.714 10.566 1.00 73.02 N ATOM 271 CA GLU A 20 4.281 5.175 10.409 1.00 14.31 C ATOM 272 C GLU A 20 4.401 4.380 9.112 1.00 13.12 C ATOM 273 O GLU A 20 3.419 4.191 8.394 1.00 61.14 O ATOM 274 CB GLU A 20 4.640 4.285 11.601 1.00 53.41 C ATOM 275 CG GLU A 20 3.463 3.493 12.146 1.00 50.44 C ATOM 276 CD GLU A 20 2.872 2.547 11.119 1.00 34.11 C ATOM 277 OE1 GLU A 20 3.640 1.767 10.519 1.00 74.24 O ATOM 278 OE2 GLU A 20 1.640 2.587 10.917 1.00 73.32 O ATOM 0 H GLU A 20 2.263 5.377 9.877 1.00 73.02 H new ATOM 0 HA GLU A 20 4.978 6.012 10.367 1.00 14.31 H new ATOM 0 HB2 GLU A 20 5.426 3.592 11.302 1.00 53.41 H new ATOM 0 HB3 GLU A 20 5.049 4.907 12.398 1.00 53.41 H new ATOM 0 HG2 GLU A 20 3.786 2.923 13.017 1.00 50.44 H new ATOM 0 HG3 GLU A 20 2.691 4.184 12.485 1.00 50.44 H new ATOM 285 N VAL A 21 5.612 3.917 8.819 1.00 53.02 N ATOM 286 CA VAL A 21 5.862 3.142 7.609 1.00 35.14 C ATOM 287 C VAL A 21 6.667 1.885 7.919 1.00 74.21 C ATOM 288 O VAL A 21 7.537 1.891 8.790 1.00 72.43 O ATOM 289 CB VAL A 21 6.615 3.974 6.555 1.00 41.20 C ATOM 290 CG1 VAL A 21 5.720 4.256 5.358 1.00 42.22 C ATOM 291 CG2 VAL A 21 7.126 5.270 7.166 1.00 44.22 C ATOM 0 H VAL A 21 6.435 4.065 9.403 1.00 53.02 H new ATOM 0 HA VAL A 21 4.889 2.858 7.208 1.00 35.14 H new ATOM 0 HB VAL A 21 7.474 3.399 6.209 1.00 41.20 H new ATOM 0 HG11 VAL A 21 6.269 4.845 4.624 1.00 42.22 H new ATOM 0 HG12 VAL A 21 5.408 3.314 4.907 1.00 42.22 H new ATOM 0 HG13 VAL A 21 4.841 4.811 5.684 1.00 42.22 H new ATOM 0 HG21 VAL A 21 7.656 5.846 6.407 1.00 44.22 H new ATOM 0 HG22 VAL A 21 6.284 5.852 7.541 1.00 44.22 H new ATOM 0 HG23 VAL A 21 7.805 5.042 7.988 1.00 44.22 H new ATOM 301 N PHE A 22 6.371 0.807 7.199 1.00 13.44 N ATOM 302 CA PHE A 22 7.067 -0.459 7.397 1.00 13.32 C ATOM 303 C PHE A 22 7.412 -1.105 6.058 1.00 13.54 C ATOM 304 O PHE A 22 6.549 -1.270 5.196 1.00 73.11 O ATOM 305 CB PHE A 22 6.208 -1.413 8.230 1.00 11.51 C ATOM 306 CG PHE A 22 4.785 -1.505 7.758 1.00 10.03 C ATOM 307 CD1 PHE A 22 3.838 -0.590 8.189 1.00 35.54 C ATOM 308 CD2 PHE A 22 4.395 -2.506 6.883 1.00 10.13 C ATOM 309 CE1 PHE A 22 2.527 -0.674 7.757 1.00 4.13 C ATOM 310 CE2 PHE A 22 3.086 -2.594 6.447 1.00 22.14 C ATOM 311 CZ PHE A 22 2.152 -1.676 6.884 1.00 35.13 C ATOM 0 H PHE A 22 5.654 0.785 6.474 1.00 13.44 H new ATOM 0 HA PHE A 22 7.994 -0.255 7.932 1.00 13.32 H new ATOM 0 HB2 PHE A 22 6.655 -2.407 8.206 1.00 11.51 H new ATOM 0 HB3 PHE A 22 6.217 -1.084 9.269 1.00 11.51 H new ATOM 0 HD1 PHE A 22 4.127 0.197 8.870 1.00 35.54 H new ATOM 0 HD2 PHE A 22 5.122 -3.226 6.538 1.00 10.13 H new ATOM 0 HE1 PHE A 22 1.797 0.043 8.102 1.00 4.13 H new ATOM 0 HE2 PHE A 22 2.795 -3.380 5.766 1.00 22.14 H new ATOM 0 HZ PHE A 22 1.129 -1.741 6.543 1.00 35.13 H new ATOM 321 N TYR A 23 8.679 -1.467 5.892 1.00 11.44 N ATOM 322 CA TYR A 23 9.140 -2.091 4.658 1.00 32.52 C ATOM 323 C TYR A 23 9.879 -3.394 4.950 1.00 4.50 C ATOM 324 O TYR A 23 10.272 -3.658 6.087 1.00 44.21 O ATOM 325 CB TYR A 23 10.052 -1.135 3.888 1.00 72.54 C ATOM 326 CG TYR A 23 9.571 0.298 3.895 1.00 71.02 C ATOM 327 CD1 TYR A 23 8.369 0.652 3.293 1.00 24.45 C ATOM 328 CD2 TYR A 23 10.318 1.299 4.504 1.00 30.20 C ATOM 329 CE1 TYR A 23 7.927 1.960 3.297 1.00 13.11 C ATOM 330 CE2 TYR A 23 9.882 2.610 4.514 1.00 64.22 C ATOM 331 CZ TYR A 23 8.686 2.935 3.909 1.00 45.54 C ATOM 332 OH TYR A 23 8.248 4.240 3.916 1.00 63.14 O ATOM 0 H TYR A 23 9.405 -1.339 6.597 1.00 11.44 H new ATOM 0 HA TYR A 23 8.266 -2.319 4.047 1.00 32.52 H new ATOM 0 HB2 TYR A 23 11.053 -1.176 4.318 1.00 72.54 H new ATOM 0 HB3 TYR A 23 10.134 -1.477 2.856 1.00 72.54 H new ATOM 0 HD1 TYR A 23 7.771 -0.109 2.814 1.00 24.45 H new ATOM 0 HD2 TYR A 23 11.256 1.048 4.978 1.00 30.20 H new ATOM 0 HE1 TYR A 23 6.991 2.218 2.823 1.00 13.11 H new ATOM 0 HE2 TYR A 23 10.474 3.376 4.993 1.00 64.22 H new ATOM 0 HH TYR A 23 8.898 4.801 4.389 1.00 63.14 H new ATOM 342 N THR A 24 10.067 -4.205 3.914 1.00 72.21 N ATOM 343 CA THR A 24 10.758 -5.480 4.057 1.00 64.01 C ATOM 344 C THR A 24 11.658 -5.755 2.858 1.00 44.13 C ATOM 345 O THR A 24 11.316 -5.423 1.723 1.00 52.14 O ATOM 346 CB THR A 24 9.763 -6.645 4.215 1.00 53.33 C ATOM 347 OG1 THR A 24 8.655 -6.236 5.024 1.00 14.42 O ATOM 348 CG2 THR A 24 10.439 -7.853 4.845 1.00 72.03 C ATOM 0 H THR A 24 9.750 -4.001 2.966 1.00 72.21 H new ATOM 0 HA THR A 24 11.368 -5.409 4.958 1.00 64.01 H new ATOM 0 HB THR A 24 9.405 -6.925 3.224 1.00 53.33 H new ATOM 0 HG1 THR A 24 8.026 -6.982 5.119 1.00 14.42 H new ATOM 0 HG21 THR A 24 9.716 -8.663 4.946 1.00 72.03 H new ATOM 0 HG22 THR A 24 11.264 -8.180 4.212 1.00 72.03 H new ATOM 0 HG23 THR A 24 10.822 -7.583 5.829 1.00 72.03 H new ATOM 356 N PHE A 25 12.811 -6.364 3.116 1.00 50.20 N ATOM 357 CA PHE A 25 13.761 -6.683 2.057 1.00 61.32 C ATOM 358 C PHE A 25 14.732 -7.771 2.507 1.00 0.10 C ATOM 359 O PHE A 25 14.863 -8.048 3.700 1.00 62.23 O ATOM 360 CB PHE A 25 14.537 -5.431 1.643 1.00 14.35 C ATOM 361 CG PHE A 25 14.729 -5.307 0.159 1.00 74.21 C ATOM 362 CD1 PHE A 25 15.824 -5.886 -0.462 1.00 14.01 C ATOM 363 CD2 PHE A 25 13.814 -4.612 -0.616 1.00 1.34 C ATOM 364 CE1 PHE A 25 16.003 -5.775 -1.828 1.00 1.51 C ATOM 365 CE2 PHE A 25 13.988 -4.497 -1.982 1.00 30.31 C ATOM 366 CZ PHE A 25 15.084 -5.078 -2.589 1.00 24.33 C ATOM 0 H PHE A 25 13.110 -6.646 4.050 1.00 50.20 H new ATOM 0 HA PHE A 25 13.199 -7.053 1.200 1.00 61.32 H new ATOM 0 HB2 PHE A 25 14.010 -4.550 2.008 1.00 14.35 H new ATOM 0 HB3 PHE A 25 15.513 -5.442 2.128 1.00 14.35 H new ATOM 0 HD1 PHE A 25 16.546 -6.430 0.128 1.00 14.01 H new ATOM 0 HD2 PHE A 25 12.955 -4.155 -0.147 1.00 1.34 H new ATOM 0 HE1 PHE A 25 16.860 -6.232 -2.300 1.00 1.51 H new ATOM 0 HE2 PHE A 25 13.267 -3.953 -2.575 1.00 30.31 H new ATOM 0 HZ PHE A 25 15.223 -4.988 -3.656 1.00 24.33 H new ATOM 376 N THR A 26 15.411 -8.385 1.543 1.00 22.44 N ATOM 377 CA THR A 26 16.369 -9.444 1.839 1.00 52.33 C ATOM 378 C THR A 26 17.681 -9.221 1.096 1.00 40.23 C ATOM 379 O THR A 26 17.775 -8.353 0.227 1.00 32.52 O ATOM 380 CB THR A 26 15.809 -10.829 1.464 1.00 54.21 C ATOM 381 OG1 THR A 26 15.813 -10.990 0.041 1.00 33.31 O ATOM 382 CG2 THR A 26 14.394 -11.002 1.995 1.00 34.00 C ATOM 0 H THR A 26 15.316 -8.167 0.551 1.00 22.44 H new ATOM 0 HA THR A 26 16.553 -9.413 2.913 1.00 52.33 H new ATOM 0 HB THR A 26 16.446 -11.589 1.917 1.00 54.21 H new ATOM 0 HG1 THR A 26 15.457 -11.874 -0.189 1.00 33.31 H new ATOM 0 HG21 THR A 26 14.019 -11.987 1.718 1.00 34.00 H new ATOM 0 HG22 THR A 26 14.399 -10.908 3.081 1.00 34.00 H new ATOM 0 HG23 THR A 26 13.748 -10.235 1.567 1.00 34.00 H new ATOM 390 N VAL A 27 18.693 -10.010 1.442 1.00 42.10 N ATOM 391 CA VAL A 27 20.001 -9.900 0.806 1.00 14.21 C ATOM 392 C VAL A 27 20.276 -11.098 -0.095 1.00 61.21 C ATOM 393 O VAL A 27 19.566 -12.102 -0.044 1.00 72.42 O ATOM 394 CB VAL A 27 21.126 -9.788 1.852 1.00 71.50 C ATOM 395 CG1 VAL A 27 20.839 -8.656 2.826 1.00 23.24 C ATOM 396 CG2 VAL A 27 21.299 -11.107 2.590 1.00 31.31 C ATOM 0 H VAL A 27 18.632 -10.733 2.159 1.00 42.10 H new ATOM 0 HA VAL A 27 19.985 -8.992 0.203 1.00 14.21 H new ATOM 0 HB VAL A 27 22.059 -9.562 1.335 1.00 71.50 H new ATOM 0 HG11 VAL A 27 21.645 -8.592 3.557 1.00 23.24 H new ATOM 0 HG12 VAL A 27 20.769 -7.715 2.280 1.00 23.24 H new ATOM 0 HG13 VAL A 27 19.897 -8.848 3.340 1.00 23.24 H new ATOM 0 HG21 VAL A 27 22.098 -11.010 3.325 1.00 31.31 H new ATOM 0 HG22 VAL A 27 20.369 -11.365 3.096 1.00 31.31 H new ATOM 0 HG23 VAL A 27 21.554 -11.892 1.878 1.00 31.31 H new ATOM 406 N ASP A 28 21.312 -10.986 -0.919 1.00 51.22 N ATOM 407 CA ASP A 28 21.683 -12.061 -1.832 1.00 22.13 C ATOM 408 C ASP A 28 22.808 -12.908 -1.245 1.00 2.24 C ATOM 409 O ASP A 28 22.732 -14.136 -1.232 1.00 72.51 O ATOM 410 CB ASP A 28 22.112 -11.487 -3.183 1.00 1.12 C ATOM 411 CG ASP A 28 20.930 -11.136 -4.064 1.00 53.33 C ATOM 412 OD1 ASP A 28 19.980 -11.943 -4.132 1.00 30.52 O ATOM 413 OD2 ASP A 28 20.954 -10.053 -4.687 1.00 64.44 O ATOM 0 H ASP A 28 21.910 -10.161 -0.974 1.00 51.22 H new ATOM 0 HA ASP A 28 20.810 -12.698 -1.978 1.00 22.13 H new ATOM 0 HB2 ASP A 28 22.717 -10.595 -3.020 1.00 1.12 H new ATOM 0 HB3 ASP A 28 22.743 -12.211 -3.698 1.00 1.12 H new ATOM 418 N ARG A 29 23.852 -12.242 -0.760 1.00 73.53 N ATOM 419 CA ARG A 29 24.993 -12.934 -0.174 1.00 45.00 C ATOM 420 C ARG A 29 25.530 -12.171 1.034 1.00 53.03 C ATOM 421 O ARG A 29 25.197 -11.005 1.241 1.00 0.12 O ATOM 422 CB ARG A 29 26.101 -13.107 -1.215 1.00 5.44 C ATOM 423 CG ARG A 29 26.480 -11.815 -1.921 1.00 62.20 C ATOM 424 CD ARG A 29 25.602 -11.567 -3.138 1.00 21.54 C ATOM 425 NE ARG A 29 26.317 -10.855 -4.193 1.00 24.20 N ATOM 426 CZ ARG A 29 26.586 -9.555 -4.150 1.00 41.03 C ATOM 427 NH1 ARG A 29 26.201 -8.829 -3.110 1.00 2.12 N ATOM 428 NH2 ARG A 29 27.242 -8.979 -5.150 1.00 15.53 N ATOM 0 H ARG A 29 23.930 -11.225 -0.762 1.00 73.53 H new ATOM 0 HA ARG A 29 24.659 -13.917 0.158 1.00 45.00 H new ATOM 0 HB2 ARG A 29 26.985 -13.518 -0.727 1.00 5.44 H new ATOM 0 HB3 ARG A 29 25.779 -13.836 -1.958 1.00 5.44 H new ATOM 0 HG2 ARG A 29 26.387 -10.979 -1.227 1.00 62.20 H new ATOM 0 HG3 ARG A 29 27.525 -11.860 -2.228 1.00 62.20 H new ATOM 0 HD2 ARG A 29 25.241 -12.520 -3.525 1.00 21.54 H new ATOM 0 HD3 ARG A 29 24.726 -10.991 -2.841 1.00 21.54 H new ATOM 0 HE ARG A 29 26.627 -11.385 -5.008 1.00 24.20 H new ATOM 0 HH11 ARG A 29 25.697 -9.268 -2.340 1.00 2.12 H new ATOM 0 HH12 ARG A 29 26.409 -7.831 -3.080 1.00 2.12 H new ATOM 0 HH21 ARG A 29 27.540 -9.535 -5.952 1.00 15.53 H new ATOM 0 HH22 ARG A 29 27.448 -7.981 -5.117 1.00 15.53 H new ATOM 442 N ASN A 30 26.361 -12.838 1.827 1.00 20.44 N ATOM 443 CA ASN A 30 26.942 -12.224 3.015 1.00 5.42 C ATOM 444 C ASN A 30 27.700 -10.950 2.653 1.00 12.41 C ATOM 445 O ASN A 30 28.676 -10.987 1.904 1.00 35.12 O ATOM 446 CB ASN A 30 27.882 -13.207 3.716 1.00 70.00 C ATOM 447 CG ASN A 30 28.954 -13.744 2.787 1.00 32.23 C ATOM 448 OD1 ASN A 30 30.047 -13.186 2.694 1.00 1.24 O ATOM 449 ND2 ASN A 30 28.644 -14.834 2.094 1.00 1.31 N ATOM 0 H ASN A 30 26.647 -13.804 1.669 1.00 20.44 H new ATOM 0 HA ASN A 30 26.129 -11.963 3.693 1.00 5.42 H new ATOM 0 HB2 ASN A 30 28.355 -12.712 4.564 1.00 70.00 H new ATOM 0 HB3 ASN A 30 27.302 -14.038 4.116 1.00 70.00 H new ATOM 0 HD21 ASN A 30 29.325 -15.242 1.453 1.00 1.31 H new ATOM 0 HD22 ASN A 30 27.725 -15.263 2.203 1.00 1.31 H new ATOM 456 N ALA A 31 27.243 -9.823 3.191 1.00 62.33 N ATOM 457 CA ALA A 31 27.879 -8.538 2.927 1.00 73.33 C ATOM 458 C ALA A 31 27.878 -7.659 4.173 1.00 75.04 C ATOM 459 O ALA A 31 26.821 -7.341 4.720 1.00 4.23 O ATOM 460 CB ALA A 31 27.178 -7.829 1.777 1.00 31.23 C ATOM 0 H ALA A 31 26.435 -9.774 3.812 1.00 62.33 H new ATOM 0 HA ALA A 31 28.916 -8.724 2.647 1.00 73.33 H new ATOM 0 HB1 ALA A 31 27.663 -6.871 1.591 1.00 31.23 H new ATOM 0 HB2 ALA A 31 27.236 -8.446 0.880 1.00 31.23 H new ATOM 0 HB3 ALA A 31 26.132 -7.662 2.036 1.00 31.23 H new ATOM 466 N THR A 32 29.068 -7.269 4.617 1.00 2.03 N ATOM 467 CA THR A 32 29.204 -6.428 5.800 1.00 65.03 C ATOM 468 C THR A 32 29.385 -4.964 5.415 1.00 22.04 C ATOM 469 O THR A 32 30.455 -4.559 4.961 1.00 73.54 O ATOM 470 CB THR A 32 30.397 -6.870 6.669 1.00 40.11 C ATOM 471 OG1 THR A 32 30.629 -5.910 7.706 1.00 22.42 O ATOM 472 CG2 THR A 32 31.653 -7.026 5.825 1.00 21.01 C ATOM 0 H THR A 32 29.952 -7.522 4.175 1.00 2.03 H new ATOM 0 HA THR A 32 28.285 -6.539 6.375 1.00 65.03 H new ATOM 0 HB THR A 32 30.156 -7.835 7.115 1.00 40.11 H new ATOM 0 HG1 THR A 32 31.388 -6.199 8.255 1.00 22.42 H new ATOM 0 HG21 THR A 32 32.482 -7.339 6.460 1.00 21.01 H new ATOM 0 HG22 THR A 32 31.483 -7.778 5.055 1.00 21.01 H new ATOM 0 HG23 THR A 32 31.896 -6.073 5.354 1.00 21.01 H new ATOM 480 N ALA A 33 28.333 -4.174 5.602 1.00 40.13 N ATOM 481 CA ALA A 33 28.377 -2.754 5.277 1.00 42.41 C ATOM 482 C ALA A 33 27.706 -1.921 6.364 1.00 44.31 C ATOM 483 O ALA A 33 26.753 -2.366 7.002 1.00 74.50 O ATOM 484 CB ALA A 33 27.715 -2.499 3.931 1.00 64.44 C ATOM 0 H ALA A 33 27.440 -4.493 5.977 1.00 40.13 H new ATOM 0 HA ALA A 33 29.423 -2.453 5.218 1.00 42.41 H new ATOM 0 HB1 ALA A 33 27.755 -1.434 3.702 1.00 64.44 H new ATOM 0 HB2 ALA A 33 28.240 -3.057 3.156 1.00 64.44 H new ATOM 0 HB3 ALA A 33 26.675 -2.823 3.970 1.00 64.44 H new ATOM 490 N VAL A 34 28.212 -0.709 6.571 1.00 55.44 N ATOM 491 CA VAL A 34 27.661 0.187 7.581 1.00 52.13 C ATOM 492 C VAL A 34 26.911 1.348 6.936 1.00 23.41 C ATOM 493 O VAL A 34 27.515 2.224 6.317 1.00 23.22 O ATOM 494 CB VAL A 34 28.766 0.749 8.495 1.00 34.54 C ATOM 495 CG1 VAL A 34 28.183 1.743 9.488 1.00 30.11 C ATOM 496 CG2 VAL A 34 29.483 -0.381 9.219 1.00 62.15 C ATOM 0 H VAL A 34 29.002 -0.325 6.053 1.00 55.44 H new ATOM 0 HA VAL A 34 26.967 -0.401 8.181 1.00 52.13 H new ATOM 0 HB VAL A 34 29.494 1.274 7.876 1.00 34.54 H new ATOM 0 HG11 VAL A 34 28.978 2.130 10.125 1.00 30.11 H new ATOM 0 HG12 VAL A 34 27.718 2.567 8.947 1.00 30.11 H new ATOM 0 HG13 VAL A 34 27.434 1.245 10.104 1.00 30.11 H new ATOM 0 HG21 VAL A 34 30.261 0.034 9.861 1.00 62.15 H new ATOM 0 HG22 VAL A 34 28.768 -0.935 9.827 1.00 62.15 H new ATOM 0 HG23 VAL A 34 29.935 -1.052 8.489 1.00 62.15 H new ATOM 506 N VAL A 35 25.590 1.348 7.086 1.00 64.01 N ATOM 507 CA VAL A 35 24.757 2.402 6.520 1.00 42.02 C ATOM 508 C VAL A 35 23.849 3.014 7.581 1.00 42.14 C ATOM 509 O VAL A 35 23.319 2.310 8.440 1.00 54.04 O ATOM 510 CB VAL A 35 23.891 1.872 5.362 1.00 33.41 C ATOM 511 CG1 VAL A 35 23.178 3.017 4.660 1.00 42.42 C ATOM 512 CG2 VAL A 35 24.741 1.080 4.380 1.00 31.22 C ATOM 0 H VAL A 35 25.074 0.630 7.595 1.00 64.01 H new ATOM 0 HA VAL A 35 25.432 3.168 6.138 1.00 42.02 H new ATOM 0 HB VAL A 35 23.135 1.204 5.774 1.00 33.41 H new ATOM 0 HG11 VAL A 35 22.571 2.623 3.845 1.00 42.42 H new ATOM 0 HG12 VAL A 35 22.536 3.537 5.371 1.00 42.42 H new ATOM 0 HG13 VAL A 35 23.915 3.714 4.260 1.00 42.42 H new ATOM 0 HG21 VAL A 35 24.113 0.713 3.568 1.00 31.22 H new ATOM 0 HG22 VAL A 35 25.521 1.723 3.973 1.00 31.22 H new ATOM 0 HG23 VAL A 35 25.199 0.235 4.894 1.00 31.22 H new ATOM 522 N SER A 36 23.674 4.330 7.514 1.00 4.12 N ATOM 523 CA SER A 36 22.833 5.039 8.471 1.00 33.43 C ATOM 524 C SER A 36 21.784 5.882 7.752 1.00 32.44 C ATOM 525 O SER A 36 21.871 6.102 6.544 1.00 10.51 O ATOM 526 CB SER A 36 23.689 5.930 9.374 1.00 73.45 C ATOM 527 OG SER A 36 25.048 5.903 8.975 1.00 23.31 O ATOM 0 H SER A 36 24.103 4.927 6.807 1.00 4.12 H new ATOM 0 HA SER A 36 22.321 4.298 9.085 1.00 33.43 H new ATOM 0 HB2 SER A 36 23.317 6.954 9.339 1.00 73.45 H new ATOM 0 HB3 SER A 36 23.603 5.595 10.408 1.00 73.45 H new ATOM 0 HG SER A 36 25.574 6.481 9.566 1.00 23.31 H new ATOM 533 N ILE A 37 20.793 6.349 8.504 1.00 1.33 N ATOM 534 CA ILE A 37 19.728 7.169 7.940 1.00 32.40 C ATOM 535 C ILE A 37 19.839 8.615 8.410 1.00 31.13 C ATOM 536 O ILE A 37 20.275 8.883 9.530 1.00 73.40 O ATOM 537 CB ILE A 37 18.338 6.623 8.318 1.00 51.22 C ATOM 538 CG1 ILE A 37 17.855 7.256 9.624 1.00 4.35 C ATOM 539 CG2 ILE A 37 18.379 5.107 8.441 1.00 44.30 C ATOM 540 CD1 ILE A 37 18.637 6.806 10.839 1.00 41.12 C ATOM 0 H ILE A 37 20.705 6.174 9.505 1.00 1.33 H new ATOM 0 HA ILE A 37 19.842 7.133 6.857 1.00 32.40 H new ATOM 0 HB ILE A 37 17.635 6.885 7.528 1.00 51.22 H new ATOM 0 HG12 ILE A 37 17.923 8.341 9.540 1.00 4.35 H new ATOM 0 HG13 ILE A 37 16.802 7.013 9.769 1.00 4.35 H new ATOM 0 HG21 ILE A 37 17.389 4.737 8.709 1.00 44.30 H new ATOM 0 HG22 ILE A 37 18.684 4.673 7.489 1.00 44.30 H new ATOM 0 HG23 ILE A 37 19.093 4.824 9.214 1.00 44.30 H new ATOM 0 HD11 ILE A 37 18.240 7.295 11.729 1.00 41.12 H new ATOM 0 HD12 ILE A 37 18.549 5.725 10.949 1.00 41.12 H new ATOM 0 HD13 ILE A 37 19.686 7.074 10.716 1.00 41.12 H new ATOM 552 N SER A 38 19.440 9.544 7.548 1.00 41.33 N ATOM 553 CA SER A 38 19.497 10.964 7.874 1.00 55.42 C ATOM 554 C SER A 38 18.911 11.805 6.743 1.00 13.03 C ATOM 555 O SER A 38 18.602 11.292 5.669 1.00 62.13 O ATOM 556 CB SER A 38 20.941 11.390 8.145 1.00 33.04 C ATOM 557 OG SER A 38 21.385 12.330 7.183 1.00 51.41 O ATOM 0 H SER A 38 19.074 9.339 6.618 1.00 41.33 H new ATOM 0 HA SER A 38 18.902 11.129 8.773 1.00 55.42 H new ATOM 0 HB2 SER A 38 21.014 11.824 9.142 1.00 33.04 H new ATOM 0 HB3 SER A 38 21.591 10.515 8.129 1.00 33.04 H new ATOM 0 HG SER A 38 22.310 12.587 7.380 1.00 51.41 H new ATOM 563 N GLY A 39 18.760 13.102 6.995 1.00 22.13 N ATOM 564 CA GLY A 39 18.212 13.994 5.991 1.00 51.05 C ATOM 565 C GLY A 39 17.704 15.293 6.584 1.00 42.33 C ATOM 566 O GLY A 39 17.601 16.303 5.888 1.00 22.14 O ATOM 0 H GLY A 39 19.008 13.550 7.877 1.00 22.13 H new ATOM 0 HA2 GLY A 39 18.978 14.213 5.247 1.00 51.05 H new ATOM 0 HA3 GLY A 39 17.396 13.492 5.470 1.00 51.05 H new ATOM 570 N GLY A 40 17.384 15.268 7.874 1.00 22.01 N ATOM 571 CA GLY A 40 16.886 16.458 8.538 1.00 4.34 C ATOM 572 C GLY A 40 17.155 16.445 10.030 1.00 31.12 C ATOM 573 O GLY A 40 18.282 16.678 10.467 1.00 12.30 O ATOM 0 H GLY A 40 17.461 14.445 8.471 1.00 22.01 H new ATOM 0 HA2 GLY A 40 17.351 17.339 8.096 1.00 4.34 H new ATOM 0 HA3 GLY A 40 15.813 16.544 8.366 1.00 4.34 H new ATOM 577 N SER A 41 16.117 16.173 10.814 1.00 32.43 N ATOM 578 CA SER A 41 16.245 16.135 12.266 1.00 13.44 C ATOM 579 C SER A 41 15.641 14.854 12.832 1.00 31.42 C ATOM 580 O SER A 41 14.763 14.245 12.222 1.00 50.43 O ATOM 581 CB SER A 41 15.562 17.353 12.891 1.00 13.42 C ATOM 582 OG SER A 41 16.344 18.522 12.717 1.00 2.02 O ATOM 0 H SER A 41 15.178 15.976 10.468 1.00 32.43 H new ATOM 0 HA SER A 41 17.307 16.155 12.513 1.00 13.44 H new ATOM 0 HB2 SER A 41 14.582 17.497 12.437 1.00 13.42 H new ATOM 0 HB3 SER A 41 15.398 17.176 13.954 1.00 13.42 H new ATOM 0 HG SER A 41 15.885 19.286 13.124 1.00 2.02 H new ATOM 588 N GLY A 42 16.119 14.449 14.005 1.00 22.21 N ATOM 589 CA GLY A 42 15.616 13.242 14.635 1.00 62.03 C ATOM 590 C GLY A 42 14.103 13.220 14.719 1.00 31.42 C ATOM 591 O GLY A 42 13.494 14.117 15.302 1.00 33.53 O ATOM 0 H GLY A 42 16.846 14.935 14.530 1.00 22.21 H new ATOM 0 HA2 GLY A 42 15.958 12.373 14.073 1.00 62.03 H new ATOM 0 HA3 GLY A 42 16.034 13.158 15.638 1.00 62.03 H new ATOM 595 N ASP A 43 13.495 12.193 14.135 1.00 54.54 N ATOM 596 CA ASP A 43 12.043 12.058 14.146 1.00 54.13 C ATOM 597 C ASP A 43 11.628 10.623 13.838 1.00 23.41 C ATOM 598 O ASP A 43 10.679 10.102 14.422 1.00 33.41 O ATOM 599 CB ASP A 43 11.412 13.013 13.130 1.00 23.33 C ATOM 600 CG ASP A 43 11.073 14.360 13.736 1.00 15.31 C ATOM 601 OD1 ASP A 43 9.980 14.486 14.326 1.00 14.34 O ATOM 602 OD2 ASP A 43 11.899 15.289 13.619 1.00 3.31 O ATOM 0 H ASP A 43 13.985 11.442 13.648 1.00 54.54 H new ATOM 0 HA ASP A 43 11.687 12.314 15.144 1.00 54.13 H new ATOM 0 HB2 ASP A 43 12.098 13.156 12.295 1.00 23.33 H new ATOM 0 HB3 ASP A 43 10.506 12.562 12.725 1.00 23.33 H new ATOM 607 N ALA A 44 12.347 9.989 12.917 1.00 53.34 N ATOM 608 CA ALA A 44 12.054 8.614 12.532 1.00 3.10 C ATOM 609 C ALA A 44 13.001 7.638 13.223 1.00 73.14 C ATOM 610 O ALA A 44 14.221 7.765 13.121 1.00 61.20 O ATOM 611 CB ALA A 44 12.143 8.458 11.021 1.00 14.41 C ATOM 0 H ALA A 44 13.137 10.406 12.424 1.00 53.34 H new ATOM 0 HA ALA A 44 11.038 8.382 12.851 1.00 3.10 H new ATOM 0 HB1 ALA A 44 11.922 7.426 10.748 1.00 14.41 H new ATOM 0 HB2 ALA A 44 11.422 9.122 10.544 1.00 14.41 H new ATOM 0 HB3 ALA A 44 13.149 8.714 10.687 1.00 14.41 H new ATOM 617 N ASP A 45 12.431 6.665 13.925 1.00 54.20 N ATOM 618 CA ASP A 45 13.224 5.667 14.632 1.00 31.15 C ATOM 619 C ASP A 45 13.640 4.539 13.694 1.00 60.42 C ATOM 620 O ASP A 45 12.952 4.245 12.715 1.00 11.12 O ATOM 621 CB ASP A 45 12.434 5.100 15.813 1.00 60.30 C ATOM 622 CG ASP A 45 12.319 6.085 16.959 1.00 14.23 C ATOM 623 OD1 ASP A 45 11.664 7.133 16.778 1.00 54.13 O ATOM 624 OD2 ASP A 45 12.883 5.808 18.038 1.00 14.13 O ATOM 0 H ASP A 45 11.422 6.546 14.020 1.00 54.20 H new ATOM 0 HA ASP A 45 14.124 6.154 15.007 1.00 31.15 H new ATOM 0 HB2 ASP A 45 11.436 4.820 15.477 1.00 60.30 H new ATOM 0 HB3 ASP A 45 12.919 4.190 16.167 1.00 60.30 H new ATOM 629 N LEU A 46 14.770 3.910 13.997 1.00 22.04 N ATOM 630 CA LEU A 46 15.279 2.814 13.180 1.00 24.03 C ATOM 631 C LEU A 46 15.095 1.476 13.889 1.00 64.34 C ATOM 632 O LEU A 46 15.514 1.305 15.034 1.00 14.30 O ATOM 633 CB LEU A 46 16.759 3.035 12.860 1.00 54.22 C ATOM 634 CG LEU A 46 17.507 1.834 12.281 1.00 20.34 C ATOM 635 CD1 LEU A 46 18.478 2.280 11.200 1.00 44.22 C ATOM 636 CD2 LEU A 46 18.241 1.082 13.382 1.00 33.14 C ATOM 0 H LEU A 46 15.351 4.140 14.803 1.00 22.04 H new ATOM 0 HA LEU A 46 14.712 2.793 12.250 1.00 24.03 H new ATOM 0 HB2 LEU A 46 16.838 3.862 12.154 1.00 54.22 H new ATOM 0 HB3 LEU A 46 17.265 3.347 13.774 1.00 54.22 H new ATOM 0 HG LEU A 46 16.779 1.160 11.830 1.00 20.34 H new ATOM 0 HD11 LEU A 46 19.001 1.411 10.800 1.00 44.22 H new ATOM 0 HD12 LEU A 46 17.928 2.774 10.399 1.00 44.22 H new ATOM 0 HD13 LEU A 46 19.202 2.975 11.625 1.00 44.22 H new ATOM 0 HD21 LEU A 46 18.768 0.230 12.952 1.00 33.14 H new ATOM 0 HD22 LEU A 46 18.958 1.748 13.862 1.00 33.14 H new ATOM 0 HD23 LEU A 46 17.523 0.728 14.122 1.00 33.14 H new ATOM 648 N TYR A 47 14.469 0.529 13.199 1.00 22.41 N ATOM 649 CA TYR A 47 14.230 -0.795 13.762 1.00 13.10 C ATOM 650 C TYR A 47 14.533 -1.885 12.739 1.00 61.21 C ATOM 651 O TYR A 47 14.262 -1.728 11.548 1.00 60.24 O ATOM 652 CB TYR A 47 12.781 -0.915 14.238 1.00 71.33 C ATOM 653 CG TYR A 47 12.443 0.006 15.388 1.00 31.33 C ATOM 654 CD1 TYR A 47 12.797 -0.320 16.692 1.00 43.53 C ATOM 655 CD2 TYR A 47 11.770 1.202 15.172 1.00 73.25 C ATOM 656 CE1 TYR A 47 12.490 0.519 17.746 1.00 73.42 C ATOM 657 CE2 TYR A 47 11.459 2.047 16.219 1.00 23.25 C ATOM 658 CZ TYR A 47 11.821 1.701 17.505 1.00 71.43 C ATOM 659 OH TYR A 47 11.514 2.539 18.552 1.00 71.21 O ATOM 0 H TYR A 47 14.118 0.653 12.249 1.00 22.41 H new ATOM 0 HA TYR A 47 14.898 -0.926 14.614 1.00 13.10 H new ATOM 0 HB2 TYR A 47 12.114 -0.700 13.403 1.00 71.33 H new ATOM 0 HB3 TYR A 47 12.591 -1.945 14.540 1.00 71.33 H new ATOM 0 HD1 TYR A 47 13.321 -1.245 16.885 1.00 43.53 H new ATOM 0 HD2 TYR A 47 11.485 1.476 14.167 1.00 73.25 H new ATOM 0 HE1 TYR A 47 12.772 0.251 18.753 1.00 73.42 H new ATOM 0 HE2 TYR A 47 10.936 2.973 16.033 1.00 23.25 H new ATOM 0 HH TYR A 47 11.044 3.329 18.212 1.00 71.21 H new ATOM 669 N LEU A 48 15.097 -2.991 13.212 1.00 13.03 N ATOM 670 CA LEU A 48 15.437 -4.110 12.340 1.00 3.22 C ATOM 671 C LEU A 48 15.456 -5.421 13.119 1.00 23.11 C ATOM 672 O LEU A 48 15.996 -5.492 14.223 1.00 31.45 O ATOM 673 CB LEU A 48 16.798 -3.874 11.683 1.00 4.12 C ATOM 674 CG LEU A 48 16.939 -4.356 10.239 1.00 22.30 C ATOM 675 CD1 LEU A 48 18.336 -4.066 9.713 1.00 3.10 C ATOM 676 CD2 LEU A 48 16.629 -5.843 10.141 1.00 54.34 C ATOM 0 H LEU A 48 15.329 -3.137 14.195 1.00 13.03 H new ATOM 0 HA LEU A 48 14.673 -4.180 11.565 1.00 3.22 H new ATOM 0 HB2 LEU A 48 17.012 -2.806 11.711 1.00 4.12 H new ATOM 0 HB3 LEU A 48 17.560 -4.368 12.286 1.00 4.12 H new ATOM 0 HG LEU A 48 16.221 -3.813 9.624 1.00 22.30 H new ATOM 0 HD11 LEU A 48 18.417 -4.416 8.684 1.00 3.10 H new ATOM 0 HD12 LEU A 48 18.522 -2.993 9.747 1.00 3.10 H new ATOM 0 HD13 LEU A 48 19.072 -4.581 10.331 1.00 3.10 H new ATOM 0 HD21 LEU A 48 16.734 -6.169 9.106 1.00 54.34 H new ATOM 0 HD22 LEU A 48 17.322 -6.401 10.770 1.00 54.34 H new ATOM 0 HD23 LEU A 48 15.608 -6.025 10.477 1.00 54.34 H new ATOM 688 N LYS A 49 14.865 -6.458 12.536 1.00 64.43 N ATOM 689 CA LYS A 49 14.817 -7.769 13.172 1.00 34.31 C ATOM 690 C LYS A 49 15.022 -8.880 12.147 1.00 40.22 C ATOM 691 O LYS A 49 14.265 -8.996 11.184 1.00 51.14 O ATOM 692 CB LYS A 49 13.478 -7.962 13.887 1.00 34.33 C ATOM 693 CG LYS A 49 13.617 -8.245 15.373 1.00 32.21 C ATOM 694 CD LYS A 49 12.366 -8.898 15.936 1.00 34.12 C ATOM 695 CE LYS A 49 12.495 -9.154 17.430 1.00 74.31 C ATOM 696 NZ LYS A 49 13.361 -10.331 17.718 1.00 13.10 N ATOM 0 H LYS A 49 14.412 -6.416 11.623 1.00 64.43 H new ATOM 0 HA LYS A 49 15.624 -7.820 13.903 1.00 34.31 H new ATOM 0 HB2 LYS A 49 12.871 -7.067 13.751 1.00 34.33 H new ATOM 0 HB3 LYS A 49 12.940 -8.786 13.418 1.00 34.33 H new ATOM 0 HG2 LYS A 49 14.475 -8.895 15.542 1.00 32.21 H new ATOM 0 HG3 LYS A 49 13.813 -7.314 15.905 1.00 32.21 H new ATOM 0 HD2 LYS A 49 11.504 -8.257 15.749 1.00 34.12 H new ATOM 0 HD3 LYS A 49 12.182 -9.840 15.419 1.00 34.12 H new ATOM 0 HE2 LYS A 49 12.910 -8.271 17.915 1.00 74.31 H new ATOM 0 HE3 LYS A 49 11.506 -9.318 17.857 1.00 74.31 H new ATOM 0 HZ1 LYS A 49 13.424 -10.472 18.746 1.00 13.10 H new ATOM 0 HZ2 LYS A 49 12.952 -11.179 17.276 1.00 13.10 H new ATOM 0 HZ3 LYS A 49 14.313 -10.164 17.333 1.00 13.10 H new ATOM 710 N ALA A 50 16.050 -9.695 12.362 1.00 52.44 N ATOM 711 CA ALA A 50 16.352 -10.798 11.458 1.00 51.30 C ATOM 712 C ALA A 50 15.486 -12.014 11.768 1.00 52.03 C ATOM 713 O ALA A 50 15.945 -12.974 12.385 1.00 72.23 O ATOM 714 CB ALA A 50 17.827 -11.162 11.544 1.00 13.22 C ATOM 0 H ALA A 50 16.687 -9.612 13.154 1.00 52.44 H new ATOM 0 HA ALA A 50 16.128 -10.474 10.442 1.00 51.30 H new ATOM 0 HB1 ALA A 50 18.038 -11.987 10.864 1.00 13.22 H new ATOM 0 HB2 ALA A 50 18.432 -10.299 11.266 1.00 13.22 H new ATOM 0 HB3 ALA A 50 18.069 -11.461 12.564 1.00 13.22 H new ATOM 720 N GLY A 51 14.229 -11.966 11.336 1.00 42.35 N ATOM 721 CA GLY A 51 13.319 -13.070 11.577 1.00 13.42 C ATOM 722 C GLY A 51 11.865 -12.662 11.442 1.00 31.23 C ATOM 723 O GLY A 51 11.136 -13.203 10.611 1.00 62.31 O ATOM 0 H GLY A 51 13.825 -11.182 10.823 1.00 42.35 H new ATOM 0 HA2 GLY A 51 13.534 -13.875 10.874 1.00 13.42 H new ATOM 0 HA3 GLY A 51 13.491 -13.467 12.578 1.00 13.42 H new ATOM 727 N SER A 52 11.441 -11.706 12.263 1.00 22.52 N ATOM 728 CA SER A 52 10.063 -11.231 12.236 1.00 50.24 C ATOM 729 C SER A 52 10.004 -9.724 12.465 1.00 51.55 C ATOM 730 O SER A 52 10.760 -9.175 13.267 1.00 35.11 O ATOM 731 CB SER A 52 9.231 -11.952 13.297 1.00 32.44 C ATOM 732 OG SER A 52 8.800 -13.220 12.833 1.00 30.01 O ATOM 0 H SER A 52 12.032 -11.245 12.955 1.00 22.52 H new ATOM 0 HA SER A 52 9.649 -11.449 11.251 1.00 50.24 H new ATOM 0 HB2 SER A 52 9.822 -12.075 14.205 1.00 32.44 H new ATOM 0 HB3 SER A 52 8.365 -11.344 13.560 1.00 32.44 H new ATOM 0 HG SER A 52 9.369 -13.507 12.088 1.00 30.01 H new ATOM 738 N LYS A 53 9.100 -9.059 11.753 1.00 0.50 N ATOM 739 CA LYS A 53 8.939 -7.615 11.877 1.00 10.33 C ATOM 740 C LYS A 53 9.067 -7.176 13.333 1.00 62.33 C ATOM 741 O LYS A 53 8.307 -7.600 14.203 1.00 32.42 O ATOM 742 CB LYS A 53 7.580 -7.183 11.321 1.00 2.33 C ATOM 743 CG LYS A 53 7.600 -5.814 10.663 1.00 72.01 C ATOM 744 CD LYS A 53 7.177 -4.723 11.632 1.00 0.12 C ATOM 745 CE LYS A 53 5.809 -4.162 11.277 1.00 14.42 C ATOM 746 NZ LYS A 53 5.790 -2.673 11.325 1.00 62.33 N ATOM 0 H LYS A 53 8.467 -9.498 11.084 1.00 0.50 H new ATOM 0 HA LYS A 53 9.730 -7.136 11.300 1.00 10.33 H new ATOM 0 HB2 LYS A 53 7.243 -7.922 10.594 1.00 2.33 H new ATOM 0 HB3 LYS A 53 6.851 -7.177 12.131 1.00 2.33 H new ATOM 0 HG2 LYS A 53 8.603 -5.603 10.291 1.00 72.01 H new ATOM 0 HG3 LYS A 53 6.934 -5.814 9.800 1.00 72.01 H new ATOM 0 HD2 LYS A 53 7.155 -5.124 12.646 1.00 0.12 H new ATOM 0 HD3 LYS A 53 7.914 -3.920 11.622 1.00 0.12 H new ATOM 0 HE2 LYS A 53 5.527 -4.497 10.279 1.00 14.42 H new ATOM 0 HE3 LYS A 53 5.064 -4.557 11.968 1.00 14.42 H new ATOM 0 HZ1 LYS A 53 4.923 -2.322 10.871 1.00 62.33 H new ATOM 0 HZ2 LYS A 53 5.814 -2.357 12.316 1.00 62.33 H new ATOM 0 HZ3 LYS A 53 6.620 -2.299 10.822 1.00 62.33 H new ATOM 760 N PRO A 54 10.051 -6.306 13.605 1.00 55.31 N ATOM 761 CA PRO A 54 10.300 -5.789 14.954 1.00 33.41 C ATOM 762 C PRO A 54 9.200 -4.845 15.426 1.00 54.44 C ATOM 763 O PRO A 54 8.650 -4.072 14.639 1.00 24.02 O ATOM 764 CB PRO A 54 11.624 -5.037 14.807 1.00 43.52 C ATOM 765 CG PRO A 54 11.684 -4.653 13.368 1.00 22.24 C ATOM 766 CD PRO A 54 10.995 -5.758 12.616 1.00 14.25 C ATOM 0 HA PRO A 54 10.327 -6.586 15.697 1.00 33.41 H new ATOM 0 HB2 PRO A 54 11.655 -4.159 15.453 1.00 43.52 H new ATOM 0 HB3 PRO A 54 12.470 -5.666 15.084 1.00 43.52 H new ATOM 0 HG2 PRO A 54 11.188 -3.697 13.198 1.00 22.24 H new ATOM 0 HG3 PRO A 54 12.716 -4.540 13.037 1.00 22.24 H new ATOM 0 HD2 PRO A 54 10.479 -5.382 11.733 1.00 14.25 H new ATOM 0 HD3 PRO A 54 11.702 -6.513 12.274 1.00 14.25 H new ATOM 774 N THR A 55 8.881 -4.910 16.715 1.00 65.32 N ATOM 775 CA THR A 55 7.846 -4.061 17.291 1.00 64.41 C ATOM 776 C THR A 55 8.456 -2.927 18.106 1.00 5.11 C ATOM 777 O THR A 55 9.677 -2.831 18.241 1.00 31.31 O ATOM 778 CB THR A 55 6.893 -4.870 18.191 1.00 41.02 C ATOM 779 OG1 THR A 55 7.301 -4.761 19.559 1.00 31.21 O ATOM 780 CG2 THR A 55 6.871 -6.334 17.778 1.00 53.01 C ATOM 0 H THR A 55 9.325 -5.543 17.380 1.00 65.32 H new ATOM 0 HA THR A 55 7.280 -3.643 16.458 1.00 64.41 H new ATOM 0 HB THR A 55 5.888 -4.462 18.078 1.00 41.02 H new ATOM 0 HG1 THR A 55 6.566 -4.390 20.091 1.00 31.21 H new ATOM 0 HG21 THR A 55 6.191 -6.885 18.428 1.00 53.01 H new ATOM 0 HG22 THR A 55 6.532 -6.416 16.745 1.00 53.01 H new ATOM 0 HG23 THR A 55 7.874 -6.752 17.865 1.00 53.01 H new ATOM 788 N THR A 56 7.600 -2.068 18.650 1.00 51.44 N ATOM 789 CA THR A 56 8.055 -0.939 19.452 1.00 53.04 C ATOM 790 C THR A 56 8.814 -1.412 20.686 1.00 63.03 C ATOM 791 O THR A 56 9.542 -0.641 21.312 1.00 72.32 O ATOM 792 CB THR A 56 6.875 -0.054 19.897 1.00 72.42 C ATOM 793 OG1 THR A 56 5.967 -0.817 20.700 1.00 0.53 O ATOM 794 CG2 THR A 56 6.140 0.514 18.692 1.00 33.41 C ATOM 0 H THR A 56 6.587 -2.133 18.550 1.00 51.44 H new ATOM 0 HA THR A 56 8.722 -0.352 18.821 1.00 53.04 H new ATOM 0 HB THR A 56 7.271 0.774 20.484 1.00 72.42 H new ATOM 0 HG1 THR A 56 5.220 -0.247 20.981 1.00 0.53 H new ATOM 0 HG21 THR A 56 5.311 1.135 19.031 1.00 33.41 H new ATOM 0 HG22 THR A 56 6.827 1.117 18.098 1.00 33.41 H new ATOM 0 HG23 THR A 56 5.755 -0.303 18.082 1.00 33.41 H new ATOM 802 N SER A 57 8.641 -2.684 21.030 1.00 62.11 N ATOM 803 CA SER A 57 9.309 -3.259 22.192 1.00 74.21 C ATOM 804 C SER A 57 10.313 -4.326 21.768 1.00 23.44 C ATOM 805 O SER A 57 11.295 -4.582 22.465 1.00 2.25 O ATOM 806 CB SER A 57 8.280 -3.863 23.150 1.00 1.45 C ATOM 807 OG SER A 57 8.903 -4.352 24.325 1.00 5.33 O ATOM 0 H SER A 57 8.044 -3.336 20.521 1.00 62.11 H new ATOM 0 HA SER A 57 9.847 -2.461 22.703 1.00 74.21 H new ATOM 0 HB2 SER A 57 7.538 -3.109 23.415 1.00 1.45 H new ATOM 0 HB3 SER A 57 7.747 -4.674 22.653 1.00 1.45 H new ATOM 0 HG SER A 57 8.224 -4.731 24.921 1.00 5.33 H new ATOM 813 N SER A 58 10.060 -4.947 20.620 1.00 13.45 N ATOM 814 CA SER A 58 10.939 -5.989 20.104 1.00 31.35 C ATOM 815 C SER A 58 11.798 -5.459 18.961 1.00 51.42 C ATOM 816 O SER A 58 11.281 -4.953 17.965 1.00 72.25 O ATOM 817 CB SER A 58 10.117 -7.188 19.627 1.00 64.25 C ATOM 818 OG SER A 58 10.435 -8.353 20.369 1.00 11.52 O ATOM 0 H SER A 58 9.253 -4.746 20.030 1.00 13.45 H new ATOM 0 HA SER A 58 11.598 -6.307 20.912 1.00 31.35 H new ATOM 0 HB2 SER A 58 9.054 -6.968 19.728 1.00 64.25 H new ATOM 0 HB3 SER A 58 10.306 -7.365 18.568 1.00 64.25 H new ATOM 0 HG SER A 58 9.895 -9.104 20.046 1.00 11.52 H new ATOM 824 N TRP A 59 13.112 -5.577 19.112 1.00 31.52 N ATOM 825 CA TRP A 59 14.044 -5.110 18.093 1.00 40.25 C ATOM 826 C TRP A 59 15.350 -5.895 18.148 1.00 41.51 C ATOM 827 O TRP A 59 15.727 -6.416 19.197 1.00 23.33 O ATOM 828 CB TRP A 59 14.323 -3.617 18.274 1.00 65.02 C ATOM 829 CG TRP A 59 14.139 -3.145 19.684 1.00 33.13 C ATOM 830 CD1 TRP A 59 12.967 -2.769 20.276 1.00 53.43 C ATOM 831 CD2 TRP A 59 15.158 -2.998 20.679 1.00 12.31 C ATOM 832 NE1 TRP A 59 13.196 -2.396 21.578 1.00 31.03 N ATOM 833 CE2 TRP A 59 14.532 -2.528 21.850 1.00 32.45 C ATOM 834 CE3 TRP A 59 16.538 -3.218 20.695 1.00 34.51 C ATOM 835 CZ2 TRP A 59 15.240 -2.276 23.022 1.00 12.24 C ATOM 836 CZ3 TRP A 59 17.239 -2.967 21.859 1.00 51.11 C ATOM 837 CH2 TRP A 59 16.590 -2.500 23.010 1.00 74.53 C ATOM 0 H TRP A 59 13.556 -5.992 19.931 1.00 31.52 H new ATOM 0 HA TRP A 59 13.587 -5.271 17.117 1.00 40.25 H new ATOM 0 HB2 TRP A 59 15.344 -3.405 17.958 1.00 65.02 H new ATOM 0 HB3 TRP A 59 13.662 -3.049 17.619 1.00 65.02 H new ATOM 0 HD1 TRP A 59 12.002 -2.765 19.791 1.00 53.43 H new ATOM 0 HE1 TRP A 59 12.486 -2.073 22.236 1.00 31.03 H new ATOM 0 HE3 TRP A 59 17.047 -3.578 19.813 1.00 34.51 H new ATOM 0 HZ2 TRP A 59 14.741 -1.916 23.910 1.00 12.24 H new ATOM 0 HZ3 TRP A 59 18.306 -3.134 21.882 1.00 51.11 H new ATOM 0 HH2 TRP A 59 17.166 -2.313 23.904 1.00 74.53 H new ATOM 848 N ASP A 60 16.036 -5.974 17.013 1.00 1.02 N ATOM 849 CA ASP A 60 17.301 -6.694 16.933 1.00 25.45 C ATOM 850 C ASP A 60 18.465 -5.728 16.733 1.00 21.53 C ATOM 851 O ASP A 60 19.571 -5.964 17.221 1.00 22.12 O ATOM 852 CB ASP A 60 17.263 -7.710 15.791 1.00 64.33 C ATOM 853 CG ASP A 60 18.334 -8.775 15.927 1.00 74.41 C ATOM 854 OD1 ASP A 60 18.424 -9.390 17.010 1.00 11.00 O ATOM 855 OD2 ASP A 60 19.082 -8.994 14.951 1.00 54.33 O ATOM 0 H ASP A 60 15.737 -5.548 16.136 1.00 1.02 H new ATOM 0 HA ASP A 60 17.449 -7.223 17.874 1.00 25.45 H new ATOM 0 HB2 ASP A 60 16.283 -8.186 15.765 1.00 64.33 H new ATOM 0 HB3 ASP A 60 17.390 -7.190 14.842 1.00 64.33 H new ATOM 860 N CYS A 61 18.208 -4.643 16.013 1.00 44.43 N ATOM 861 CA CYS A 61 19.235 -3.641 15.746 1.00 23.52 C ATOM 862 C CYS A 61 18.695 -2.234 15.977 1.00 40.14 C ATOM 863 O CYS A 61 17.698 -1.835 15.375 1.00 41.44 O ATOM 864 CB CYS A 61 19.748 -3.776 14.311 1.00 14.35 C ATOM 865 SG CYS A 61 20.427 -5.405 13.920 1.00 40.24 S ATOM 0 H CYS A 61 17.298 -4.434 15.603 1.00 44.43 H new ATOM 0 HA CYS A 61 20.061 -3.810 16.436 1.00 23.52 H new ATOM 0 HB2 CYS A 61 18.931 -3.560 13.623 1.00 14.35 H new ATOM 0 HB3 CYS A 61 20.517 -3.023 14.139 1.00 14.35 H new ATOM 0 HG CYS A 61 20.832 -5.421 12.685 1.00 40.24 H new ATOM 871 N ARG A 62 19.359 -1.487 16.853 1.00 72.01 N ATOM 872 CA ARG A 62 18.944 -0.125 17.165 1.00 14.12 C ATOM 873 C ARG A 62 19.881 0.508 18.189 1.00 2.03 C ATOM 874 O ARG A 62 20.124 -0.038 19.266 1.00 51.22 O ATOM 875 CB ARG A 62 17.509 -0.116 17.697 1.00 42.51 C ATOM 876 CG ARG A 62 17.035 1.257 18.146 1.00 22.13 C ATOM 877 CD ARG A 62 15.540 1.430 17.926 1.00 24.45 C ATOM 878 NE ARG A 62 14.856 1.872 19.138 1.00 5.45 N ATOM 879 CZ ARG A 62 14.871 3.127 19.574 1.00 40.32 C ATOM 880 NH1 ARG A 62 15.531 4.059 18.899 1.00 32.23 N ATOM 881 NH2 ARG A 62 14.224 3.453 20.686 1.00 62.33 N ATOM 0 H ARG A 62 20.187 -1.802 17.359 1.00 72.01 H new ATOM 0 HA ARG A 62 18.988 0.461 16.247 1.00 14.12 H new ATOM 0 HB2 ARG A 62 16.840 -0.486 16.920 1.00 42.51 H new ATOM 0 HB3 ARG A 62 17.437 -0.808 18.536 1.00 42.51 H new ATOM 0 HG2 ARG A 62 17.267 1.396 19.202 1.00 22.13 H new ATOM 0 HG3 ARG A 62 17.576 2.027 17.597 1.00 22.13 H new ATOM 0 HD2 ARG A 62 15.372 2.156 17.130 1.00 24.45 H new ATOM 0 HD3 ARG A 62 15.111 0.485 17.592 1.00 24.45 H new ATOM 0 HE ARG A 62 14.338 1.180 19.679 1.00 5.45 H new ATOM 0 HH11 ARG A 62 16.028 3.813 18.043 1.00 32.23 H new ATOM 0 HH12 ARG A 62 15.541 5.022 19.236 1.00 32.23 H new ATOM 0 HH21 ARG A 62 13.714 2.740 21.207 1.00 62.33 H new ATOM 0 HH22 ARG A 62 14.237 4.417 21.019 1.00 62.33 H new ATOM 895 N PRO A 63 20.422 1.687 17.848 1.00 52.13 N ATOM 896 CA PRO A 63 21.341 2.420 18.723 1.00 21.25 C ATOM 897 C PRO A 63 20.642 2.986 19.954 1.00 14.14 C ATOM 898 O PRO A 63 21.285 3.537 20.848 1.00 63.12 O ATOM 899 CB PRO A 63 21.854 3.553 17.831 1.00 33.11 C ATOM 900 CG PRO A 63 20.780 3.753 16.818 1.00 34.13 C ATOM 901 CD PRO A 63 20.177 2.396 16.581 1.00 52.05 C ATOM 0 HA PRO A 63 22.130 1.777 19.114 1.00 21.25 H new ATOM 0 HB2 PRO A 63 22.029 4.462 18.407 1.00 33.11 H new ATOM 0 HB3 PRO A 63 22.800 3.288 17.358 1.00 33.11 H new ATOM 0 HG2 PRO A 63 20.029 4.456 17.179 1.00 34.13 H new ATOM 0 HG3 PRO A 63 21.186 4.166 15.895 1.00 34.13 H new ATOM 0 HD2 PRO A 63 19.112 2.463 16.358 1.00 52.05 H new ATOM 0 HD3 PRO A 63 20.648 1.889 15.739 1.00 52.05 H new ATOM 909 N TYR A 64 19.321 2.847 19.995 1.00 22.31 N ATOM 910 CA TYR A 64 18.534 3.346 21.116 1.00 1.52 C ATOM 911 C TYR A 64 19.083 4.679 21.616 1.00 1.20 C ATOM 912 O TYR A 64 19.176 4.912 22.821 1.00 11.33 O ATOM 913 CB TYR A 64 18.526 2.326 22.256 1.00 52.04 C ATOM 914 CG TYR A 64 19.896 1.780 22.589 1.00 34.15 C ATOM 915 CD1 TYR A 64 20.759 2.478 23.425 1.00 15.22 C ATOM 916 CD2 TYR A 64 20.327 0.566 22.069 1.00 44.44 C ATOM 917 CE1 TYR A 64 22.011 1.984 23.733 1.00 63.44 C ATOM 918 CE2 TYR A 64 21.578 0.063 22.372 1.00 52.53 C ATOM 919 CZ TYR A 64 22.416 0.776 23.204 1.00 61.32 C ATOM 920 OH TYR A 64 23.663 0.279 23.507 1.00 70.20 O ATOM 0 H TYR A 64 18.773 2.393 19.264 1.00 22.31 H new ATOM 0 HA TYR A 64 17.512 3.501 20.769 1.00 1.52 H new ATOM 0 HB2 TYR A 64 18.103 2.792 23.146 1.00 52.04 H new ATOM 0 HB3 TYR A 64 17.870 1.498 21.987 1.00 52.04 H new ATOM 0 HD1 TYR A 64 20.445 3.424 23.841 1.00 15.22 H new ATOM 0 HD2 TYR A 64 19.673 0.006 21.417 1.00 44.44 H new ATOM 0 HE1 TYR A 64 22.669 2.540 24.384 1.00 63.44 H new ATOM 0 HE2 TYR A 64 21.898 -0.883 21.960 1.00 52.53 H new ATOM 0 HH TYR A 64 23.791 -0.581 23.055 1.00 70.20 H new ATOM 930 N ARG A 65 19.445 5.551 20.680 1.00 21.14 N ATOM 931 CA ARG A 65 19.985 6.861 21.024 1.00 24.53 C ATOM 932 C ARG A 65 19.047 7.973 20.567 1.00 54.20 C ATOM 933 O ARG A 65 18.928 9.008 21.223 1.00 3.31 O ATOM 934 CB ARG A 65 21.365 7.049 20.390 1.00 54.42 C ATOM 935 CG ARG A 65 22.378 7.698 21.318 1.00 24.23 C ATOM 936 CD ARG A 65 23.195 6.656 22.067 1.00 74.42 C ATOM 937 NE ARG A 65 24.170 7.267 22.965 1.00 23.54 N ATOM 938 CZ ARG A 65 25.329 7.772 22.558 1.00 63.41 C ATOM 939 NH1 ARG A 65 25.655 7.739 21.273 1.00 3.21 N ATOM 940 NH2 ARG A 65 26.165 8.311 23.436 1.00 11.12 N ATOM 0 H ARG A 65 19.374 5.374 19.678 1.00 21.14 H new ATOM 0 HA ARG A 65 20.081 6.914 22.109 1.00 24.53 H new ATOM 0 HB2 ARG A 65 21.745 6.078 20.073 1.00 54.42 H new ATOM 0 HB3 ARG A 65 21.263 7.660 19.493 1.00 54.42 H new ATOM 0 HG2 ARG A 65 23.045 8.338 20.740 1.00 24.23 H new ATOM 0 HG3 ARG A 65 21.861 8.339 22.032 1.00 24.23 H new ATOM 0 HD2 ARG A 65 22.526 6.015 22.641 1.00 74.42 H new ATOM 0 HD3 ARG A 65 23.712 6.018 21.351 1.00 74.42 H new ATOM 0 HE ARG A 65 23.949 7.308 23.960 1.00 23.54 H new ATOM 0 HH11 ARG A 65 25.015 7.325 20.595 1.00 3.21 H new ATOM 0 HH12 ARG A 65 26.546 8.127 20.963 1.00 3.21 H new ATOM 0 HH21 ARG A 65 25.918 8.338 24.425 1.00 11.12 H new ATOM 0 HH22 ARG A 65 27.055 8.698 23.122 1.00 11.12 H new ATOM 954 N TYR A 66 18.382 7.753 19.438 1.00 22.41 N ATOM 955 CA TYR A 66 17.456 8.737 18.891 1.00 4.43 C ATOM 956 C TYR A 66 16.860 8.252 17.573 1.00 23.15 C ATOM 957 O TYR A 66 17.139 7.141 17.125 1.00 44.04 O ATOM 958 CB TYR A 66 18.168 10.075 18.680 1.00 33.01 C ATOM 959 CG TYR A 66 17.746 11.146 19.660 1.00 11.41 C ATOM 960 CD1 TYR A 66 16.403 11.443 19.860 1.00 61.21 C ATOM 961 CD2 TYR A 66 18.690 11.863 20.385 1.00 32.03 C ATOM 962 CE1 TYR A 66 16.013 12.421 20.754 1.00 50.44 C ATOM 963 CE2 TYR A 66 18.309 12.842 21.282 1.00 13.12 C ATOM 964 CZ TYR A 66 16.969 13.118 21.463 1.00 64.23 C ATOM 965 OH TYR A 66 16.586 14.093 22.354 1.00 12.41 O ATOM 0 H TYR A 66 18.467 6.901 18.884 1.00 22.41 H new ATOM 0 HA TYR A 66 16.645 8.872 19.607 1.00 4.43 H new ATOM 0 HB2 TYR A 66 19.244 9.922 18.763 1.00 33.01 H new ATOM 0 HB3 TYR A 66 17.973 10.425 17.666 1.00 33.01 H new ATOM 0 HD1 TYR A 66 15.651 10.900 19.307 1.00 61.21 H new ATOM 0 HD2 TYR A 66 19.740 11.651 20.245 1.00 32.03 H new ATOM 0 HE1 TYR A 66 14.965 12.639 20.897 1.00 50.44 H new ATOM 0 HE2 TYR A 66 19.056 13.389 21.839 1.00 13.12 H new ATOM 0 HH TYR A 66 17.381 14.486 22.770 1.00 12.41 H new ATOM 975 N GLY A 67 16.037 9.095 16.958 1.00 40.04 N ATOM 976 CA GLY A 67 15.414 8.736 15.697 1.00 21.30 C ATOM 977 C GLY A 67 16.394 8.751 14.541 1.00 42.32 C ATOM 978 O GLY A 67 17.235 7.862 14.419 1.00 21.35 O ATOM 0 H GLY A 67 15.790 10.020 17.310 1.00 40.04 H new ATOM 0 HA2 GLY A 67 14.973 7.743 15.783 1.00 21.30 H new ATOM 0 HA3 GLY A 67 14.599 9.429 15.488 1.00 21.30 H new ATOM 982 N ASN A 68 16.285 9.765 13.688 1.00 73.31 N ATOM 983 CA ASN A 68 17.167 9.891 12.534 1.00 43.03 C ATOM 984 C ASN A 68 18.626 9.980 12.972 1.00 61.24 C ATOM 985 O ASN A 68 18.921 10.295 14.124 1.00 73.23 O ATOM 986 CB ASN A 68 16.794 11.127 11.713 1.00 74.35 C ATOM 987 CG ASN A 68 17.745 12.285 11.945 1.00 73.31 C ATOM 988 OD1 ASN A 68 17.998 12.675 13.085 1.00 65.04 O ATOM 989 ND2 ASN A 68 18.276 12.840 10.862 1.00 12.40 N ATOM 0 H ASN A 68 15.595 10.511 13.775 1.00 73.31 H new ATOM 0 HA ASN A 68 17.045 9.002 11.916 1.00 43.03 H new ATOM 0 HB2 ASN A 68 16.792 10.869 10.654 1.00 74.35 H new ATOM 0 HB3 ASN A 68 15.780 11.436 11.968 1.00 74.35 H new ATOM 0 HD21 ASN A 68 18.923 13.623 10.955 1.00 12.40 H new ATOM 0 HD22 ASN A 68 18.037 12.483 9.937 1.00 12.40 H new ATOM 996 N ASN A 69 19.535 9.700 12.043 1.00 0.40 N ATOM 997 CA ASN A 69 20.964 9.749 12.333 1.00 74.32 C ATOM 998 C ASN A 69 21.356 8.651 13.317 1.00 4.22 C ATOM 999 O ASN A 69 22.451 8.671 13.879 1.00 60.13 O ATOM 1000 CB ASN A 69 21.344 11.118 12.900 1.00 61.12 C ATOM 1001 CG ASN A 69 22.816 11.431 12.715 1.00 43.30 C ATOM 1002 OD1 ASN A 69 23.657 11.007 13.508 1.00 50.01 O ATOM 1003 ND2 ASN A 69 23.135 12.178 11.664 1.00 14.21 N ATOM 0 H ASN A 69 19.308 9.437 11.084 1.00 0.40 H new ATOM 0 HA ASN A 69 21.505 9.587 11.401 1.00 74.32 H new ATOM 0 HB2 ASN A 69 20.747 11.889 12.412 1.00 61.12 H new ATOM 0 HB3 ASN A 69 21.099 11.149 13.962 1.00 61.12 H new ATOM 0 HD21 ASN A 69 24.110 12.422 11.489 1.00 14.21 H new ATOM 0 HD22 ASN A 69 22.405 12.508 11.032 1.00 14.21 H new ATOM 1010 N GLU A 70 20.455 7.695 13.520 1.00 40.21 N ATOM 1011 CA GLU A 70 20.708 6.590 14.437 1.00 60.24 C ATOM 1012 C GLU A 70 20.429 5.249 13.762 1.00 4.44 C ATOM 1013 O GLU A 70 19.277 4.842 13.621 1.00 73.55 O ATOM 1014 CB GLU A 70 19.844 6.731 15.692 1.00 45.02 C ATOM 1015 CG GLU A 70 20.649 6.948 16.963 1.00 53.25 C ATOM 1016 CD GLU A 70 21.059 8.395 17.153 1.00 43.40 C ATOM 1017 OE1 GLU A 70 20.253 9.290 16.823 1.00 60.12 O ATOM 1018 OE2 GLU A 70 22.188 8.633 17.633 1.00 53.03 O ATOM 0 H GLU A 70 19.544 7.663 13.062 1.00 40.21 H new ATOM 0 HA GLU A 70 21.759 6.622 14.723 1.00 60.24 H new ATOM 0 HB2 GLU A 70 19.158 7.568 15.559 1.00 45.02 H new ATOM 0 HB3 GLU A 70 19.235 5.834 15.806 1.00 45.02 H new ATOM 0 HG2 GLU A 70 20.060 6.625 17.821 1.00 53.25 H new ATOM 0 HG3 GLU A 70 21.541 6.322 16.935 1.00 53.25 H new ATOM 1025 N SER A 71 21.494 4.569 13.348 1.00 12.44 N ATOM 1026 CA SER A 71 21.365 3.277 12.685 1.00 12.21 C ATOM 1027 C SER A 71 22.350 2.267 13.266 1.00 13.45 C ATOM 1028 O SER A 71 23.179 2.608 14.111 1.00 33.03 O ATOM 1029 CB SER A 71 21.599 3.427 11.181 1.00 73.24 C ATOM 1030 OG SER A 71 20.838 4.498 10.650 1.00 35.12 O ATOM 0 H SER A 71 22.455 4.892 13.460 1.00 12.44 H new ATOM 0 HA SER A 71 20.353 2.909 12.854 1.00 12.21 H new ATOM 0 HB2 SER A 71 22.658 3.600 10.990 1.00 73.24 H new ATOM 0 HB3 SER A 71 21.331 2.500 10.674 1.00 73.24 H new ATOM 0 HG SER A 71 21.161 5.345 11.023 1.00 35.12 H new ATOM 1036 N CYS A 72 22.252 1.024 12.808 1.00 3.51 N ATOM 1037 CA CYS A 72 23.134 -0.037 13.282 1.00 14.44 C ATOM 1038 C CYS A 72 23.964 -0.607 12.137 1.00 54.21 C ATOM 1039 O CYS A 72 23.601 -0.473 10.968 1.00 22.21 O ATOM 1040 CB CYS A 72 22.317 -1.150 13.940 1.00 23.13 C ATOM 1041 SG CYS A 72 23.078 -1.843 15.427 1.00 33.02 S ATOM 0 H CYS A 72 21.571 0.726 12.109 1.00 3.51 H new ATOM 0 HA CYS A 72 23.813 0.391 14.020 1.00 14.44 H new ATOM 0 HB2 CYS A 72 21.332 -0.760 14.197 1.00 23.13 H new ATOM 0 HB3 CYS A 72 22.164 -1.950 13.216 1.00 23.13 H new ATOM 0 HG CYS A 72 22.312 -2.775 15.912 1.00 33.02 H new ATOM 1047 N SER A 73 25.080 -1.241 12.480 1.00 32.54 N ATOM 1048 CA SER A 73 25.965 -1.827 11.480 1.00 33.34 C ATOM 1049 C SER A 73 26.257 -3.290 11.803 1.00 14.43 C ATOM 1050 O SER A 73 26.898 -3.600 12.807 1.00 13.24 O ATOM 1051 CB SER A 73 27.274 -1.039 11.403 1.00 72.32 C ATOM 1052 OG SER A 73 27.454 -0.236 12.556 1.00 45.31 O ATOM 0 H SER A 73 25.393 -1.362 13.443 1.00 32.54 H new ATOM 0 HA SER A 73 25.463 -1.780 10.514 1.00 33.34 H new ATOM 0 HB2 SER A 73 28.112 -1.729 11.302 1.00 72.32 H new ATOM 0 HB3 SER A 73 27.271 -0.409 10.514 1.00 72.32 H new ATOM 0 HG SER A 73 28.298 0.256 12.483 1.00 45.31 H new ATOM 1058 N VAL A 74 25.781 -4.185 10.944 1.00 73.21 N ATOM 1059 CA VAL A 74 25.991 -5.615 11.135 1.00 35.34 C ATOM 1060 C VAL A 74 26.135 -6.333 9.798 1.00 31.55 C ATOM 1061 O VAL A 74 25.693 -5.835 8.763 1.00 1.14 O ATOM 1062 CB VAL A 74 24.831 -6.252 11.925 1.00 4.21 C ATOM 1063 CG1 VAL A 74 25.229 -7.625 12.444 1.00 62.10 C ATOM 1064 CG2 VAL A 74 24.404 -5.344 13.069 1.00 44.24 C ATOM 0 H VAL A 74 25.247 -3.945 10.109 1.00 73.21 H new ATOM 0 HA VAL A 74 26.914 -5.726 11.705 1.00 35.34 H new ATOM 0 HB VAL A 74 23.982 -6.376 11.253 1.00 4.21 H new ATOM 0 HG11 VAL A 74 24.398 -8.059 12.999 1.00 62.10 H new ATOM 0 HG12 VAL A 74 25.482 -8.272 11.604 1.00 62.10 H new ATOM 0 HG13 VAL A 74 26.093 -7.529 13.101 1.00 62.10 H new ATOM 0 HG21 VAL A 74 23.584 -5.809 13.616 1.00 44.24 H new ATOM 0 HG22 VAL A 74 25.246 -5.187 13.742 1.00 44.24 H new ATOM 0 HG23 VAL A 74 24.075 -4.385 12.669 1.00 44.24 H new ATOM 1074 N SER A 75 26.756 -7.508 9.828 1.00 22.20 N ATOM 1075 CA SER A 75 26.962 -8.295 8.617 1.00 1.35 C ATOM 1076 C SER A 75 25.683 -9.025 8.220 1.00 50.00 C ATOM 1077 O SER A 75 25.060 -9.699 9.039 1.00 21.45 O ATOM 1078 CB SER A 75 28.095 -9.302 8.825 1.00 34.10 C ATOM 1079 OG SER A 75 27.831 -10.144 9.934 1.00 23.10 O ATOM 0 H SER A 75 27.125 -7.936 10.677 1.00 22.20 H new ATOM 0 HA SER A 75 27.235 -7.613 7.812 1.00 1.35 H new ATOM 0 HB2 SER A 75 28.218 -9.907 7.926 1.00 34.10 H new ATOM 0 HB3 SER A 75 29.034 -8.771 8.983 1.00 34.10 H new ATOM 0 HG SER A 75 26.873 -10.345 9.971 1.00 23.10 H new ATOM 1085 N ALA A 76 25.298 -8.885 6.956 1.00 54.22 N ATOM 1086 CA ALA A 76 24.094 -9.532 6.448 1.00 64.02 C ATOM 1087 C ALA A 76 24.348 -11.006 6.151 1.00 73.13 C ATOM 1088 O ALA A 76 25.469 -11.401 5.835 1.00 65.51 O ATOM 1089 CB ALA A 76 23.598 -8.818 5.199 1.00 10.24 C ATOM 0 H ALA A 76 25.802 -8.329 6.265 1.00 54.22 H new ATOM 0 HA ALA A 76 23.325 -9.470 7.218 1.00 64.02 H new ATOM 0 HB1 ALA A 76 22.699 -9.312 4.831 1.00 10.24 H new ATOM 0 HB2 ALA A 76 23.369 -7.780 5.440 1.00 10.24 H new ATOM 0 HB3 ALA A 76 24.370 -8.850 4.431 1.00 10.24 H new ATOM 1095 N ALA A 77 23.298 -11.815 6.255 1.00 42.22 N ATOM 1096 CA ALA A 77 23.407 -13.245 5.996 1.00 63.11 C ATOM 1097 C ALA A 77 22.306 -13.718 5.053 1.00 12.14 C ATOM 1098 O ALA A 77 21.115 -13.573 5.329 1.00 13.42 O ATOM 1099 CB ALA A 77 23.357 -14.023 7.302 1.00 33.34 C ATOM 0 H ALA A 77 22.363 -11.504 6.517 1.00 42.22 H new ATOM 0 HA ALA A 77 24.366 -13.429 5.513 1.00 63.11 H new ATOM 0 HB1 ALA A 77 23.439 -15.090 7.093 1.00 33.34 H new ATOM 0 HB2 ALA A 77 24.183 -13.713 7.942 1.00 33.34 H new ATOM 0 HB3 ALA A 77 22.412 -13.824 7.808 1.00 33.34 H new ATOM 1105 N PRO A 78 22.710 -14.297 3.913 1.00 32.11 N ATOM 1106 CA PRO A 78 21.772 -14.803 2.906 1.00 11.15 C ATOM 1107 C PRO A 78 21.021 -16.041 3.384 1.00 31.11 C ATOM 1108 O PRO A 78 21.620 -17.089 3.622 1.00 0.14 O ATOM 1109 CB PRO A 78 22.676 -15.150 1.721 1.00 25.15 C ATOM 1110 CG PRO A 78 24.011 -15.416 2.329 1.00 74.54 C ATOM 1111 CD PRO A 78 24.114 -14.503 3.519 1.00 74.41 C ATOM 0 HA PRO A 78 20.997 -14.074 2.669 1.00 11.15 H new ATOM 0 HB2 PRO A 78 22.305 -16.022 1.182 1.00 25.15 H new ATOM 0 HB3 PRO A 78 22.723 -14.329 1.005 1.00 25.15 H new ATOM 0 HG2 PRO A 78 24.102 -16.460 2.629 1.00 74.54 H new ATOM 0 HG3 PRO A 78 24.811 -15.219 1.615 1.00 74.54 H new ATOM 0 HD2 PRO A 78 24.695 -14.955 4.323 1.00 74.41 H new ATOM 0 HD3 PRO A 78 24.602 -13.562 3.263 1.00 74.41 H new ATOM 1119 N GLY A 79 19.705 -15.913 3.522 1.00 74.24 N ATOM 1120 CA GLY A 79 18.894 -17.030 3.970 1.00 34.00 C ATOM 1121 C GLY A 79 17.837 -16.613 4.974 1.00 23.21 C ATOM 1122 O GLY A 79 16.935 -17.387 5.295 1.00 13.04 O ATOM 0 H GLY A 79 19.186 -15.056 3.332 1.00 74.24 H new ATOM 0 HA2 GLY A 79 18.411 -17.493 3.109 1.00 34.00 H new ATOM 0 HA3 GLY A 79 19.538 -17.786 4.418 1.00 34.00 H new ATOM 1126 N THR A 80 17.949 -15.386 5.474 1.00 63.31 N ATOM 1127 CA THR A 80 16.998 -14.869 6.450 1.00 44.24 C ATOM 1128 C THR A 80 16.407 -13.541 5.990 1.00 21.03 C ATOM 1129 O THR A 80 17.136 -12.607 5.655 1.00 62.15 O ATOM 1130 CB THR A 80 17.658 -14.675 7.828 1.00 13.32 C ATOM 1131 OG1 THR A 80 18.165 -15.925 8.309 1.00 13.51 O ATOM 1132 CG2 THR A 80 16.663 -14.107 8.829 1.00 55.43 C ATOM 0 H THR A 80 18.689 -14.732 5.219 1.00 63.31 H new ATOM 0 HA THR A 80 16.201 -15.607 6.538 1.00 44.24 H new ATOM 0 HB THR A 80 18.481 -13.969 7.716 1.00 13.32 H new ATOM 0 HG1 THR A 80 18.585 -15.793 9.185 1.00 13.51 H new ATOM 0 HG21 THR A 80 17.152 -13.979 9.795 1.00 55.43 H new ATOM 0 HG22 THR A 80 16.301 -13.142 8.474 1.00 55.43 H new ATOM 0 HG23 THR A 80 15.823 -14.793 8.936 1.00 55.43 H new ATOM 1140 N THR A 81 15.080 -13.462 5.978 1.00 30.01 N ATOM 1141 CA THR A 81 14.390 -12.248 5.560 1.00 64.25 C ATOM 1142 C THR A 81 14.558 -11.137 6.590 1.00 60.51 C ATOM 1143 O THR A 81 14.465 -11.375 7.794 1.00 33.54 O ATOM 1144 CB THR A 81 12.888 -12.504 5.337 1.00 32.11 C ATOM 1145 OG1 THR A 81 12.702 -13.715 4.596 1.00 55.03 O ATOM 1146 CG2 THR A 81 12.246 -11.344 4.592 1.00 13.51 C ATOM 0 H THR A 81 14.461 -14.225 6.253 1.00 30.01 H new ATOM 0 HA THR A 81 14.841 -11.937 4.618 1.00 64.25 H new ATOM 0 HB THR A 81 12.410 -12.598 6.312 1.00 32.11 H new ATOM 0 HG1 THR A 81 11.744 -13.871 4.460 1.00 55.03 H new ATOM 0 HG21 THR A 81 11.185 -11.548 4.446 1.00 13.51 H new ATOM 0 HG22 THR A 81 12.363 -10.429 5.173 1.00 13.51 H new ATOM 0 HG23 THR A 81 12.729 -11.223 3.622 1.00 13.51 H new ATOM 1154 N TYR A 82 14.805 -9.924 6.110 1.00 41.13 N ATOM 1155 CA TYR A 82 14.987 -8.776 6.990 1.00 25.11 C ATOM 1156 C TYR A 82 13.766 -7.862 6.954 1.00 21.41 C ATOM 1157 O TYR A 82 13.253 -7.535 5.884 1.00 53.51 O ATOM 1158 CB TYR A 82 16.237 -7.991 6.587 1.00 22.44 C ATOM 1159 CG TYR A 82 17.527 -8.744 6.823 1.00 20.40 C ATOM 1160 CD1 TYR A 82 17.778 -9.367 8.040 1.00 63.14 C ATOM 1161 CD2 TYR A 82 18.495 -8.833 5.830 1.00 54.50 C ATOM 1162 CE1 TYR A 82 18.956 -10.056 8.260 1.00 54.41 C ATOM 1163 CE2 TYR A 82 19.674 -9.520 6.041 1.00 70.22 C ATOM 1164 CZ TYR A 82 19.900 -10.130 7.257 1.00 10.23 C ATOM 1165 OH TYR A 82 21.074 -10.814 7.472 1.00 62.52 O ATOM 0 H TYR A 82 14.884 -9.710 5.116 1.00 41.13 H new ATOM 0 HA TYR A 82 15.111 -9.147 8.007 1.00 25.11 H new ATOM 0 HB2 TYR A 82 16.167 -7.729 5.531 1.00 22.44 H new ATOM 0 HB3 TYR A 82 16.264 -7.056 7.146 1.00 22.44 H new ATOM 0 HD1 TYR A 82 17.040 -9.312 8.827 1.00 63.14 H new ATOM 0 HD2 TYR A 82 18.322 -8.356 4.876 1.00 54.50 H new ATOM 0 HE1 TYR A 82 19.136 -10.534 9.212 1.00 54.41 H new ATOM 0 HE2 TYR A 82 20.415 -9.579 5.258 1.00 70.22 H new ATOM 0 HH TYR A 82 20.917 -11.542 8.109 1.00 62.52 H new ATOM 1175 N HIS A 83 13.306 -7.454 8.132 1.00 11.14 N ATOM 1176 CA HIS A 83 12.145 -6.577 8.237 1.00 4.34 C ATOM 1177 C HIS A 83 12.571 -5.152 8.579 1.00 14.21 C ATOM 1178 O HIS A 83 13.680 -4.923 9.060 1.00 3.43 O ATOM 1179 CB HIS A 83 11.178 -7.101 9.299 1.00 52.12 C ATOM 1180 CG HIS A 83 10.127 -8.016 8.751 1.00 34.41 C ATOM 1181 ND1 HIS A 83 8.896 -7.573 8.315 1.00 34.53 N ATOM 1182 CD2 HIS A 83 10.129 -9.358 8.568 1.00 14.50 C ATOM 1183 CE1 HIS A 83 8.185 -8.603 7.890 1.00 43.35 C ATOM 1184 NE2 HIS A 83 8.911 -9.697 8.032 1.00 71.13 N ATOM 0 H HIS A 83 13.719 -7.716 9.027 1.00 11.14 H new ATOM 0 HA HIS A 83 11.640 -6.565 7.271 1.00 4.34 H new ATOM 0 HB2 HIS A 83 11.745 -7.629 10.066 1.00 52.12 H new ATOM 0 HB3 HIS A 83 10.694 -6.255 9.787 1.00 52.12 H new ATOM 0 HD2 HIS A 83 10.938 -10.035 8.800 1.00 14.50 H new ATOM 0 HE1 HIS A 83 7.181 -8.558 7.494 1.00 43.35 H new ATOM 0 HE2 HIS A 83 8.615 -10.641 7.784 1.00 71.13 H new ATOM 1192 N VAL A 84 11.681 -4.197 8.326 1.00 31.02 N ATOM 1193 CA VAL A 84 11.964 -2.795 8.607 1.00 12.42 C ATOM 1194 C VAL A 84 10.755 -2.104 9.229 1.00 62.10 C ATOM 1195 O VAL A 84 9.620 -2.315 8.803 1.00 20.33 O ATOM 1196 CB VAL A 84 12.373 -2.038 7.330 1.00 52.43 C ATOM 1197 CG1 VAL A 84 13.101 -0.749 7.682 1.00 32.41 C ATOM 1198 CG2 VAL A 84 13.235 -2.921 6.441 1.00 40.14 C ATOM 0 H VAL A 84 10.758 -4.369 7.927 1.00 31.02 H new ATOM 0 HA VAL A 84 12.794 -2.775 9.314 1.00 12.42 H new ATOM 0 HB VAL A 84 11.470 -1.777 6.778 1.00 52.43 H new ATOM 0 HG11 VAL A 84 13.382 -0.228 6.767 1.00 32.41 H new ATOM 0 HG12 VAL A 84 12.446 -0.112 8.276 1.00 32.41 H new ATOM 0 HG13 VAL A 84 13.998 -0.983 8.256 1.00 32.41 H new ATOM 0 HG21 VAL A 84 13.515 -2.370 5.543 1.00 40.14 H new ATOM 0 HG22 VAL A 84 14.135 -3.214 6.982 1.00 40.14 H new ATOM 0 HG23 VAL A 84 12.674 -3.812 6.160 1.00 40.14 H new ATOM 1208 N MET A 85 11.007 -1.277 10.239 1.00 64.45 N ATOM 1209 CA MET A 85 9.939 -0.554 10.918 1.00 2.33 C ATOM 1210 C MET A 85 10.354 0.886 11.203 1.00 52.41 C ATOM 1211 O MET A 85 11.358 1.132 11.871 1.00 4.13 O ATOM 1212 CB MET A 85 9.568 -1.258 12.225 1.00 45.30 C ATOM 1213 CG MET A 85 8.114 -1.071 12.624 1.00 13.03 C ATOM 1214 SD MET A 85 7.870 0.340 13.721 1.00 61.51 S ATOM 1215 CE MET A 85 6.093 0.294 13.941 1.00 22.14 C ATOM 0 H MET A 85 11.941 -1.091 10.605 1.00 64.45 H new ATOM 0 HA MET A 85 9.069 -0.540 10.262 1.00 2.33 H new ATOM 0 HB2 MET A 85 9.775 -2.324 12.126 1.00 45.30 H new ATOM 0 HB3 MET A 85 10.207 -0.883 13.024 1.00 45.30 H new ATOM 0 HG2 MET A 85 7.509 -0.937 11.727 1.00 13.03 H new ATOM 0 HG3 MET A 85 7.757 -1.975 13.117 1.00 13.03 H new ATOM 0 HE1 MET A 85 5.820 0.878 14.820 1.00 22.14 H new ATOM 0 HE2 MET A 85 5.606 0.714 13.061 1.00 22.14 H new ATOM 0 HE3 MET A 85 5.770 -0.738 14.077 1.00 22.14 H new ATOM 1225 N ILE A 86 9.575 1.834 10.692 1.00 72.33 N ATOM 1226 CA ILE A 86 9.862 3.249 10.892 1.00 33.43 C ATOM 1227 C ILE A 86 8.781 3.914 11.738 1.00 50.14 C ATOM 1228 O ILE A 86 7.638 4.058 11.303 1.00 10.32 O ATOM 1229 CB ILE A 86 9.980 3.995 9.550 1.00 21.22 C ATOM 1230 CG1 ILE A 86 10.964 3.275 8.626 1.00 24.44 C ATOM 1231 CG2 ILE A 86 10.417 5.434 9.781 1.00 65.40 C ATOM 1232 CD1 ILE A 86 12.393 3.305 9.124 1.00 53.02 C ATOM 0 H ILE A 86 8.740 1.647 10.136 1.00 72.33 H new ATOM 0 HA ILE A 86 10.817 3.307 11.415 1.00 33.43 H new ATOM 0 HB ILE A 86 9.002 4.006 9.070 1.00 21.22 H new ATOM 0 HG12 ILE A 86 10.649 2.238 8.511 1.00 24.44 H new ATOM 0 HG13 ILE A 86 10.923 3.732 7.637 1.00 24.44 H new ATOM 0 HG21 ILE A 86 10.496 5.948 8.823 1.00 65.40 H new ATOM 0 HG22 ILE A 86 9.682 5.942 10.406 1.00 65.40 H new ATOM 0 HG23 ILE A 86 11.386 5.444 10.279 1.00 65.40 H new ATOM 0 HD11 ILE A 86 13.035 2.776 8.420 1.00 53.02 H new ATOM 0 HD12 ILE A 86 12.726 4.339 9.212 1.00 53.02 H new ATOM 0 HD13 ILE A 86 12.449 2.822 10.099 1.00 53.02 H new ATOM 1244 N LYS A 87 9.150 4.320 12.948 1.00 45.25 N ATOM 1245 CA LYS A 87 8.215 4.974 13.855 1.00 53.25 C ATOM 1246 C LYS A 87 8.527 6.462 13.978 1.00 13.14 C ATOM 1247 O LYS A 87 9.690 6.860 14.034 1.00 75.12 O ATOM 1248 CB LYS A 87 8.265 4.315 15.235 1.00 42.02 C ATOM 1249 CG LYS A 87 6.942 3.707 15.667 1.00 23.31 C ATOM 1250 CD LYS A 87 5.946 4.776 16.082 1.00 52.33 C ATOM 1251 CE LYS A 87 4.545 4.456 15.583 1.00 11.12 C ATOM 1252 NZ LYS A 87 3.823 3.540 16.509 1.00 13.20 N ATOM 0 H LYS A 87 10.092 4.207 13.323 1.00 45.25 H new ATOM 0 HA LYS A 87 7.212 4.864 13.444 1.00 53.25 H new ATOM 0 HB2 LYS A 87 9.028 3.537 15.229 1.00 42.02 H new ATOM 0 HB3 LYS A 87 8.572 5.057 15.972 1.00 42.02 H new ATOM 0 HG2 LYS A 87 6.526 3.119 14.849 1.00 23.31 H new ATOM 0 HG3 LYS A 87 7.110 3.022 16.498 1.00 23.31 H new ATOM 0 HD2 LYS A 87 5.935 4.863 17.168 1.00 52.33 H new ATOM 0 HD3 LYS A 87 6.262 5.742 15.688 1.00 52.33 H new ATOM 0 HE2 LYS A 87 3.979 5.381 15.472 1.00 11.12 H new ATOM 0 HE3 LYS A 87 4.607 3.999 14.595 1.00 11.12 H new ATOM 0 HZ1 LYS A 87 2.872 3.346 16.134 1.00 13.20 H new ATOM 0 HZ2 LYS A 87 4.350 2.648 16.595 1.00 13.20 H new ATOM 0 HZ3 LYS A 87 3.742 3.986 17.445 1.00 13.20 H new ATOM 1266 N GLY A 88 7.479 7.280 14.023 1.00 45.33 N ATOM 1267 CA GLY A 88 7.663 8.715 14.141 1.00 25.12 C ATOM 1268 C GLY A 88 7.128 9.262 15.450 1.00 63.03 C ATOM 1269 O GLY A 88 6.250 8.661 16.069 1.00 24.32 O ATOM 0 H GLY A 88 6.507 6.975 13.980 1.00 45.33 H new ATOM 0 HA2 GLY A 88 8.724 8.950 14.059 1.00 25.12 H new ATOM 0 HA3 GLY A 88 7.161 9.212 13.311 1.00 25.12 H new ATOM 1273 N TYR A 89 7.659 10.404 15.872 1.00 14.14 N ATOM 1274 CA TYR A 89 7.232 11.030 17.118 1.00 13.12 C ATOM 1275 C TYR A 89 6.542 12.364 16.849 1.00 11.01 C ATOM 1276 O TYR A 89 5.776 12.858 17.677 1.00 61.23 O ATOM 1277 CB TYR A 89 8.431 11.241 18.044 1.00 35.25 C ATOM 1278 CG TYR A 89 8.107 11.041 19.508 1.00 64.10 C ATOM 1279 CD1 TYR A 89 7.364 11.982 20.210 1.00 22.12 C ATOM 1280 CD2 TYR A 89 8.546 9.912 20.189 1.00 50.12 C ATOM 1281 CE1 TYR A 89 7.067 11.804 21.548 1.00 60.04 C ATOM 1282 CE2 TYR A 89 8.252 9.725 21.526 1.00 43.24 C ATOM 1283 CZ TYR A 89 7.513 10.674 22.201 1.00 71.13 C ATOM 1284 OH TYR A 89 7.220 10.492 23.533 1.00 55.13 O ATOM 0 H TYR A 89 8.385 10.915 15.370 1.00 14.14 H new ATOM 0 HA TYR A 89 6.519 10.364 17.604 1.00 13.12 H new ATOM 0 HB2 TYR A 89 9.226 10.552 17.759 1.00 35.25 H new ATOM 0 HB3 TYR A 89 8.817 12.250 17.900 1.00 35.25 H new ATOM 0 HD1 TYR A 89 7.013 12.868 19.701 1.00 22.12 H new ATOM 0 HD2 TYR A 89 9.127 9.168 19.664 1.00 50.12 H new ATOM 0 HE1 TYR A 89 6.489 12.546 22.079 1.00 60.04 H new ATOM 0 HE2 TYR A 89 8.599 8.841 22.040 1.00 43.24 H new ATOM 0 HH TYR A 89 7.607 9.646 23.840 1.00 55.13 H new ATOM 1294 N SER A 90 6.819 12.942 15.685 1.00 64.13 N ATOM 1295 CA SER A 90 6.229 14.220 15.306 1.00 40.41 C ATOM 1296 C SER A 90 6.326 14.438 13.799 1.00 10.30 C ATOM 1297 O SER A 90 7.401 14.321 13.212 1.00 13.40 O ATOM 1298 CB SER A 90 6.924 15.366 16.044 1.00 22.12 C ATOM 1299 OG SER A 90 8.257 15.021 16.381 1.00 50.34 O ATOM 0 H SER A 90 7.449 12.545 14.988 1.00 64.13 H new ATOM 0 HA SER A 90 5.176 14.203 15.586 1.00 40.41 H new ATOM 0 HB2 SER A 90 6.923 16.259 15.419 1.00 22.12 H new ATOM 0 HB3 SER A 90 6.368 15.610 16.949 1.00 22.12 H new ATOM 0 HG SER A 90 8.768 14.853 15.562 1.00 50.34 H new ATOM 1305 N ASN A 91 5.194 14.756 13.179 1.00 31.14 N ATOM 1306 CA ASN A 91 5.150 14.990 11.741 1.00 72.05 C ATOM 1307 C ASN A 91 6.466 15.581 11.245 1.00 10.40 C ATOM 1308 O ASN A 91 6.761 16.753 11.483 1.00 54.02 O ATOM 1309 CB ASN A 91 3.993 15.928 11.391 1.00 75.44 C ATOM 1310 CG ASN A 91 3.842 16.127 9.895 1.00 73.52 C ATOM 1311 OD1 ASN A 91 3.898 17.252 9.398 1.00 25.41 O ATOM 1312 ND2 ASN A 91 3.648 15.031 9.169 1.00 11.50 N ATOM 0 H ASN A 91 4.295 14.857 13.650 1.00 31.14 H new ATOM 0 HA ASN A 91 4.994 14.031 11.247 1.00 72.05 H new ATOM 0 HB2 ASN A 91 3.066 15.523 11.796 1.00 75.44 H new ATOM 0 HB3 ASN A 91 4.155 16.894 11.869 1.00 75.44 H new ATOM 0 HD21 ASN A 91 3.539 15.102 8.157 1.00 11.50 H new ATOM 0 HD22 ASN A 91 3.609 14.119 9.623 1.00 11.50 H new ATOM 1319 N TYR A 92 7.253 14.764 10.555 1.00 71.40 N ATOM 1320 CA TYR A 92 8.539 15.205 10.027 1.00 35.31 C ATOM 1321 C TYR A 92 8.978 14.326 8.860 1.00 44.52 C ATOM 1322 O TYR A 92 9.279 13.146 9.035 1.00 22.24 O ATOM 1323 CB TYR A 92 9.601 15.180 11.127 1.00 31.43 C ATOM 1324 CG TYR A 92 10.823 16.011 10.808 1.00 13.33 C ATOM 1325 CD1 TYR A 92 11.733 15.601 9.842 1.00 3.21 C ATOM 1326 CD2 TYR A 92 11.067 17.206 11.473 1.00 2.34 C ATOM 1327 CE1 TYR A 92 12.851 16.357 9.548 1.00 44.33 C ATOM 1328 CE2 TYR A 92 12.182 17.970 11.184 1.00 32.55 C ATOM 1329 CZ TYR A 92 13.071 17.541 10.221 1.00 31.21 C ATOM 1330 OH TYR A 92 14.183 18.298 9.931 1.00 22.54 O ATOM 0 H TYR A 92 7.023 13.792 10.348 1.00 71.40 H new ATOM 0 HA TYR A 92 8.424 16.227 9.666 1.00 35.31 H new ATOM 0 HB2 TYR A 92 9.159 15.541 12.056 1.00 31.43 H new ATOM 0 HB3 TYR A 92 9.908 14.149 11.300 1.00 31.43 H new ATOM 0 HD1 TYR A 92 11.564 14.675 9.312 1.00 3.21 H new ATOM 0 HD2 TYR A 92 10.374 17.544 12.229 1.00 2.34 H new ATOM 0 HE1 TYR A 92 13.549 16.023 8.795 1.00 44.33 H new ATOM 0 HE2 TYR A 92 12.356 18.897 11.709 1.00 32.55 H new ATOM 0 HH TYR A 92 14.188 19.101 10.493 1.00 22.54 H new ATOM 1340 N SER A 93 9.014 14.913 7.667 1.00 32.43 N ATOM 1341 CA SER A 93 9.414 14.184 6.469 1.00 13.20 C ATOM 1342 C SER A 93 10.620 14.845 5.809 1.00 52.24 C ATOM 1343 O SER A 93 10.849 16.044 5.966 1.00 31.44 O ATOM 1344 CB SER A 93 8.251 14.113 5.478 1.00 55.02 C ATOM 1345 OG SER A 93 7.594 15.364 5.371 1.00 2.40 O ATOM 0 H SER A 93 8.771 15.890 7.505 1.00 32.43 H new ATOM 0 HA SER A 93 9.692 13.172 6.764 1.00 13.20 H new ATOM 0 HB2 SER A 93 8.622 13.809 4.499 1.00 55.02 H new ATOM 0 HB3 SER A 93 7.540 13.352 5.801 1.00 55.02 H new ATOM 0 HG SER A 93 6.856 15.292 4.730 1.00 2.40 H new ATOM 1351 N GLY A 94 11.389 14.053 5.067 1.00 12.33 N ATOM 1352 CA GLY A 94 12.562 14.578 4.394 1.00 63.13 C ATOM 1353 C GLY A 94 13.833 13.854 4.794 1.00 75.24 C ATOM 1354 O GLY A 94 14.933 14.383 4.637 1.00 20.03 O ATOM 0 H GLY A 94 11.220 13.058 4.920 1.00 12.33 H new ATOM 0 HA2 GLY A 94 12.425 14.497 3.316 1.00 63.13 H new ATOM 0 HA3 GLY A 94 12.664 15.639 4.623 1.00 63.13 H new ATOM 1358 N VAL A 95 13.681 12.640 5.313 1.00 22.40 N ATOM 1359 CA VAL A 95 14.825 11.842 5.737 1.00 23.44 C ATOM 1360 C VAL A 95 15.020 10.633 4.829 1.00 74.12 C ATOM 1361 O VAL A 95 14.055 10.071 4.309 1.00 60.21 O ATOM 1362 CB VAL A 95 14.664 11.357 7.190 1.00 14.15 C ATOM 1363 CG1 VAL A 95 16.024 11.173 7.847 1.00 55.33 C ATOM 1364 CG2 VAL A 95 13.807 12.332 7.984 1.00 32.53 C ATOM 0 H VAL A 95 12.777 12.188 5.450 1.00 22.40 H new ATOM 0 HA VAL A 95 15.701 12.487 5.671 1.00 23.44 H new ATOM 0 HB VAL A 95 14.160 10.391 7.178 1.00 14.15 H new ATOM 0 HG11 VAL A 95 15.889 10.830 8.873 1.00 55.33 H new ATOM 0 HG12 VAL A 95 16.600 10.434 7.290 1.00 55.33 H new ATOM 0 HG13 VAL A 95 16.558 12.123 7.849 1.00 55.33 H new ATOM 0 HG21 VAL A 95 13.703 11.974 9.008 1.00 32.53 H new ATOM 0 HG22 VAL A 95 14.282 13.313 7.989 1.00 32.53 H new ATOM 0 HG23 VAL A 95 12.821 12.408 7.525 1.00 32.53 H new ATOM 1374 N THR A 96 16.275 10.236 4.641 1.00 14.02 N ATOM 1375 CA THR A 96 16.597 9.094 3.795 1.00 54.12 C ATOM 1376 C THR A 96 16.798 7.833 4.627 1.00 70.33 C ATOM 1377 O THR A 96 17.652 7.791 5.514 1.00 53.23 O ATOM 1378 CB THR A 96 17.865 9.353 2.961 1.00 43.24 C ATOM 1379 OG1 THR A 96 17.913 10.725 2.554 1.00 13.43 O ATOM 1380 CG2 THR A 96 17.899 8.454 1.734 1.00 41.33 C ATOM 0 H THR A 96 17.085 10.689 5.064 1.00 14.02 H new ATOM 0 HA THR A 96 15.752 8.951 3.122 1.00 54.12 H new ATOM 0 HB THR A 96 18.733 9.128 3.581 1.00 43.24 H new ATOM 0 HG1 THR A 96 18.723 10.881 2.026 1.00 13.43 H new ATOM 0 HG21 THR A 96 18.804 8.655 1.161 1.00 41.33 H new ATOM 0 HG22 THR A 96 17.893 7.410 2.048 1.00 41.33 H new ATOM 0 HG23 THR A 96 17.025 8.652 1.114 1.00 41.33 H new ATOM 1388 N LEU A 97 16.008 6.805 4.335 1.00 1.12 N ATOM 1389 CA LEU A 97 16.100 5.540 5.056 1.00 4.55 C ATOM 1390 C LEU A 97 16.636 4.435 4.152 1.00 50.43 C ATOM 1391 O LEU A 97 16.091 4.178 3.078 1.00 31.12 O ATOM 1392 CB LEU A 97 14.730 5.144 5.608 1.00 13.21 C ATOM 1393 CG LEU A 97 14.585 3.693 6.067 1.00 21.22 C ATOM 1394 CD1 LEU A 97 14.337 2.779 4.877 1.00 22.23 C ATOM 1395 CD2 LEU A 97 15.823 3.250 6.834 1.00 71.15 C ATOM 0 H LEU A 97 15.297 6.823 3.604 1.00 1.12 H new ATOM 0 HA LEU A 97 16.794 5.673 5.886 1.00 4.55 H new ATOM 0 HB2 LEU A 97 14.498 5.795 6.451 1.00 13.21 H new ATOM 0 HB3 LEU A 97 13.981 5.338 4.840 1.00 13.21 H new ATOM 0 HG LEU A 97 13.726 3.627 6.734 1.00 21.22 H new ATOM 0 HD11 LEU A 97 14.236 1.750 5.223 1.00 22.23 H new ATOM 0 HD12 LEU A 97 13.421 3.082 4.370 1.00 22.23 H new ATOM 0 HD13 LEU A 97 15.175 2.848 4.184 1.00 22.23 H new ATOM 0 HD21 LEU A 97 15.702 2.215 7.153 1.00 71.15 H new ATOM 0 HD22 LEU A 97 16.699 3.331 6.190 1.00 71.15 H new ATOM 0 HD23 LEU A 97 15.956 3.886 7.709 1.00 71.15 H new ATOM 1407 N LYS A 98 17.706 3.783 4.593 1.00 0.12 N ATOM 1408 CA LYS A 98 18.315 2.703 3.826 1.00 35.32 C ATOM 1409 C LYS A 98 18.615 1.504 4.720 1.00 65.44 C ATOM 1410 O LYS A 98 18.574 1.605 5.947 1.00 71.34 O ATOM 1411 CB LYS A 98 19.602 3.188 3.155 1.00 35.11 C ATOM 1412 CG LYS A 98 20.167 2.207 2.143 1.00 21.42 C ATOM 1413 CD LYS A 98 20.884 2.924 1.012 1.00 65.32 C ATOM 1414 CE LYS A 98 21.725 4.081 1.529 1.00 15.25 C ATOM 1415 NZ LYS A 98 22.956 4.280 0.716 1.00 53.42 N ATOM 0 H LYS A 98 18.170 3.984 5.479 1.00 0.12 H new ATOM 0 HA LYS A 98 17.607 2.393 3.057 1.00 35.32 H new ATOM 0 HB2 LYS A 98 19.407 4.138 2.658 1.00 35.11 H new ATOM 0 HB3 LYS A 98 20.352 3.378 3.922 1.00 35.11 H new ATOM 0 HG2 LYS A 98 20.859 1.527 2.641 1.00 21.42 H new ATOM 0 HG3 LYS A 98 19.360 1.598 1.735 1.00 21.42 H new ATOM 0 HD2 LYS A 98 21.522 2.219 0.480 1.00 65.32 H new ATOM 0 HD3 LYS A 98 20.153 3.297 0.295 1.00 65.32 H new ATOM 0 HE2 LYS A 98 21.131 4.995 1.518 1.00 15.25 H new ATOM 0 HE3 LYS A 98 22.002 3.893 2.566 1.00 15.25 H new ATOM 0 HZ1 LYS A 98 23.501 5.078 1.101 1.00 53.42 H new ATOM 0 HZ2 LYS A 98 23.536 3.417 0.747 1.00 53.42 H new ATOM 0 HZ3 LYS A 98 22.692 4.484 -0.269 1.00 53.42 H new ATOM 1429 N LEU A 99 18.920 0.370 4.098 1.00 73.13 N ATOM 1430 CA LEU A 99 19.230 -0.849 4.837 1.00 13.00 C ATOM 1431 C LEU A 99 20.706 -0.895 5.216 1.00 65.42 C ATOM 1432 O LEU A 99 21.574 -0.569 4.407 1.00 44.21 O ATOM 1433 CB LEU A 99 18.866 -2.080 4.005 1.00 12.01 C ATOM 1434 CG LEU A 99 19.886 -3.219 4.010 1.00 0.02 C ATOM 1435 CD1 LEU A 99 19.204 -4.548 3.722 1.00 42.50 C ATOM 1436 CD2 LEU A 99 20.988 -2.952 2.996 1.00 65.12 C ATOM 0 H LEU A 99 18.959 0.269 3.084 1.00 73.13 H new ATOM 0 HA LEU A 99 18.639 -0.850 5.753 1.00 13.00 H new ATOM 0 HB2 LEU A 99 17.914 -2.470 4.367 1.00 12.01 H new ATOM 0 HB3 LEU A 99 18.710 -1.764 2.974 1.00 12.01 H new ATOM 0 HG LEU A 99 20.337 -3.273 5.001 1.00 0.02 H new ATOM 0 HD11 LEU A 99 19.946 -5.347 3.730 1.00 42.50 H new ATOM 0 HD12 LEU A 99 18.452 -4.744 4.486 1.00 42.50 H new ATOM 0 HD13 LEU A 99 18.725 -4.507 2.744 1.00 42.50 H new ATOM 0 HD21 LEU A 99 21.705 -3.773 3.013 1.00 65.12 H new ATOM 0 HD22 LEU A 99 20.554 -2.870 2.000 1.00 65.12 H new ATOM 0 HD23 LEU A 99 21.496 -2.021 3.248 1.00 65.12 H new ATOM 1448 N GLN A 100 20.983 -1.305 6.450 1.00 70.34 N ATOM 1449 CA GLN A 100 22.355 -1.396 6.934 1.00 2.13 C ATOM 1450 C GLN A 100 22.857 -2.835 6.882 1.00 62.13 C ATOM 1451 O GLN A 100 22.428 -3.682 7.666 1.00 52.15 O ATOM 1452 CB GLN A 100 22.449 -0.862 8.365 1.00 63.42 C ATOM 1453 CG GLN A 100 21.312 -1.323 9.262 1.00 21.41 C ATOM 1454 CD GLN A 100 20.059 -0.487 9.093 1.00 42.03 C ATOM 1455 OE1 GLN A 100 18.963 -1.019 8.917 1.00 72.03 O ATOM 1456 NE2 GLN A 100 20.215 0.831 9.145 1.00 22.33 N ATOM 0 H GLN A 100 20.276 -1.579 7.132 1.00 70.34 H new ATOM 0 HA GLN A 100 22.984 -0.788 6.284 1.00 2.13 H new ATOM 0 HB2 GLN A 100 23.396 -1.179 8.801 1.00 63.42 H new ATOM 0 HB3 GLN A 100 22.460 0.228 8.337 1.00 63.42 H new ATOM 0 HG2 GLN A 100 21.081 -2.365 9.042 1.00 21.41 H new ATOM 0 HG3 GLN A 100 21.635 -1.280 10.302 1.00 21.41 H new ATOM 0 HE21 GLN A 100 21.142 1.229 9.293 1.00 22.33 H new ATOM 0 HE22 GLN A 100 19.408 1.445 9.037 1.00 22.33 H new ATOM 1465 N TYR A 101 23.768 -3.105 5.953 1.00 11.01 N ATOM 1466 CA TYR A 101 24.326 -4.443 5.796 1.00 4.33 C ATOM 1467 C TYR A 101 25.502 -4.432 4.824 1.00 51.31 C ATOM 1468 O TYR A 101 25.319 -4.299 3.615 1.00 13.11 O ATOM 1469 CB TYR A 101 23.251 -5.412 5.303 1.00 22.41 C ATOM 1470 CG TYR A 101 22.466 -6.064 6.419 1.00 71.22 C ATOM 1471 CD1 TYR A 101 23.113 -6.724 7.456 1.00 31.15 C ATOM 1472 CD2 TYR A 101 21.077 -6.021 6.435 1.00 64.31 C ATOM 1473 CE1 TYR A 101 22.400 -7.322 8.478 1.00 53.33 C ATOM 1474 CE2 TYR A 101 20.356 -6.615 7.453 1.00 41.33 C ATOM 1475 CZ TYR A 101 21.022 -7.264 8.472 1.00 53.15 C ATOM 1476 OH TYR A 101 20.307 -7.858 9.486 1.00 12.54 O ATOM 0 H TYR A 101 24.135 -2.415 5.298 1.00 11.01 H new ATOM 0 HA TYR A 101 24.686 -4.776 6.770 1.00 4.33 H new ATOM 0 HB2 TYR A 101 22.562 -4.876 4.651 1.00 22.41 H new ATOM 0 HB3 TYR A 101 23.722 -6.188 4.700 1.00 22.41 H new ATOM 0 HD1 TYR A 101 24.192 -6.771 7.464 1.00 31.15 H new ATOM 0 HD2 TYR A 101 20.552 -5.515 5.638 1.00 64.31 H new ATOM 0 HE1 TYR A 101 22.919 -7.832 9.276 1.00 53.33 H new ATOM 0 HE2 TYR A 101 19.277 -6.571 7.451 1.00 41.33 H new ATOM 0 HH TYR A 101 19.524 -8.314 9.111 1.00 12.54 H new TER 1486 TYR A 101