USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 680 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 30 ASN : amide:sc= 0 X(o=0.46,f=0.3) USER MOD Set 1.2: A 32 THR OG1 : rot 180:sc= 0.262 USER MOD Set 1.3: A 75 SER OG : rot 135:sc= 0.202 USER MOD Set 2.1: A 24 THR OG1 : rot 170:sc= -0.469 USER MOD Set 2.2: A 83 HIS : no HD1:sc= -1.5 K(o=-2,f=0.68) USER MOD Set 3.1: A 7 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Set 3.2: A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 5 LYS NZ :NH3+ 144:sc= -3.66 (180deg=-6.67!) USER MOD Single : A 6 ASN : amide:sc= -1.56 K(o=-1.6,f=-4.7!) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0051 USER MOD Single : A 12 ASN : amide:sc= -1.09 K(o=-1.1,f=-2.1) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.46 K(o=-0.46,f=-1) USER MOD Single : A 17 LYS NZ :NH3+ 169:sc= -0.116 (180deg=-0.342) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= -1.06 USER MOD Single : A 26 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 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -160:sc= -0.129 (180deg=-0.666) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -154:sc= -0.918 (180deg=-1.57) USER MOD Single : A 55 THR OG1 : rot 180:sc= 1.2 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= -0.0322 USER MOD Single : A 68 ASN : amide:sc= -0.638 X(o=-0.64,f=-0.88!) USER MOD Single : A 69 ASN : amide:sc= -0.0617 X(o=-0.062,f=-0.26) USER MOD Single : A 71 SER OG : rot 71:sc= -0.763 USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 41:sc= 0.516 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : A 82 TYR OH : rot 150:sc= -0.531 USER MOD Single : A 85 MET CE :methyl -137:sc= -0.0427 (180deg=-0.479) USER MOD Single : A 87 LYS NZ :NH3+ 144:sc= 0.995 (180deg=0.312) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0952 X(o=-0.095,f=-0.095) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 75:sc= 0.0829 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -4.09! C(o=-4.1!,f=-9.5!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N ASN A 2 4.089 -0.820 -0.524 1.00 45.31 N ATOM 9 CA ASN A 2 4.945 -1.958 -0.841 1.00 13.14 C ATOM 10 C ASN A 2 6.104 -2.058 0.146 1.00 33.44 C ATOM 11 O ASN A 2 6.218 -1.254 1.071 1.00 14.30 O ATOM 12 CB ASN A 2 5.484 -1.836 -2.267 1.00 50.02 C ATOM 13 CG ASN A 2 4.435 -2.163 -3.312 1.00 34.41 C ATOM 14 OD1 ASN A 2 3.779 -3.203 -3.245 1.00 22.32 O ATOM 15 ND2 ASN A 2 4.271 -1.274 -4.285 1.00 22.52 N ATOM 0 HA ASN A 2 4.345 -2.865 -0.763 1.00 13.14 H new ATOM 0 HB2 ASN A 2 5.850 -0.822 -2.429 1.00 50.02 H new ATOM 0 HB3 ASN A 2 6.335 -2.505 -2.389 1.00 50.02 H new ATOM 0 HD21 ASN A 2 3.579 -1.440 -5.016 1.00 22.52 H new ATOM 0 HD22 ASN A 2 4.837 -0.425 -4.301 1.00 22.52 H new ATOM 22 N VAL A 3 6.963 -3.052 -0.057 1.00 73.23 N ATOM 23 CA VAL A 3 8.114 -3.258 0.813 1.00 44.31 C ATOM 24 C VAL A 3 9.420 -3.111 0.040 1.00 63.40 C ATOM 25 O VAL A 3 9.770 -3.964 -0.777 1.00 21.52 O ATOM 26 CB VAL A 3 8.076 -4.647 1.476 1.00 20.40 C ATOM 27 CG1 VAL A 3 7.125 -4.647 2.663 1.00 4.54 C ATOM 28 CG2 VAL A 3 7.676 -5.710 0.463 1.00 2.42 C ATOM 0 H VAL A 3 6.883 -3.727 -0.817 1.00 73.23 H new ATOM 0 HA VAL A 3 8.066 -2.493 1.588 1.00 44.31 H new ATOM 0 HB VAL A 3 9.075 -4.883 1.842 1.00 20.40 H new ATOM 0 HG11 VAL A 3 7.112 -5.637 3.118 1.00 4.54 H new ATOM 0 HG12 VAL A 3 7.460 -3.914 3.397 1.00 4.54 H new ATOM 0 HG13 VAL A 3 6.121 -4.390 2.325 1.00 4.54 H new ATOM 0 HG21 VAL A 3 7.654 -6.686 0.949 1.00 2.42 H new ATOM 0 HG22 VAL A 3 6.687 -5.480 0.066 1.00 2.42 H new ATOM 0 HG23 VAL A 3 8.400 -5.727 -0.352 1.00 2.42 H new ATOM 38 N LEU A 4 10.138 -2.025 0.303 1.00 63.11 N ATOM 39 CA LEU A 4 11.408 -1.766 -0.368 1.00 33.23 C ATOM 40 C LEU A 4 12.483 -1.366 0.637 1.00 12.44 C ATOM 41 O LEU A 4 12.188 -0.769 1.674 1.00 64.53 O ATOM 42 CB LEU A 4 11.238 -0.665 -1.416 1.00 70.31 C ATOM 43 CG LEU A 4 10.363 0.520 -1.009 1.00 14.34 C ATOM 44 CD1 LEU A 4 10.921 1.816 -1.576 1.00 51.03 C ATOM 45 CD2 LEU A 4 8.928 0.308 -1.471 1.00 23.15 C ATOM 0 H LEU A 4 9.863 -1.309 0.976 1.00 63.11 H new ATOM 0 HA LEU A 4 11.723 -2.685 -0.863 1.00 33.23 H new ATOM 0 HB2 LEU A 4 12.226 -0.287 -1.681 1.00 70.31 H new ATOM 0 HB3 LEU A 4 10.815 -1.111 -2.317 1.00 70.31 H new ATOM 0 HG LEU A 4 10.367 0.592 0.079 1.00 14.34 H new ATOM 0 HD11 LEU A 4 10.285 2.648 -1.276 1.00 51.03 H new ATOM 0 HD12 LEU A 4 11.930 1.975 -1.196 1.00 51.03 H new ATOM 0 HD13 LEU A 4 10.949 1.755 -2.664 1.00 51.03 H new ATOM 0 HD21 LEU A 4 8.320 1.162 -1.172 1.00 23.15 H new ATOM 0 HD22 LEU A 4 8.906 0.209 -2.556 1.00 23.15 H new ATOM 0 HD23 LEU A 4 8.529 -0.599 -1.016 1.00 23.15 H new ATOM 57 N LYS A 5 13.731 -1.695 0.324 1.00 62.15 N ATOM 58 CA LYS A 5 14.852 -1.367 1.196 1.00 21.34 C ATOM 59 C LYS A 5 16.157 -1.308 0.408 1.00 34.50 C ATOM 60 O LYS A 5 16.694 -0.230 0.158 1.00 35.24 O ATOM 61 CB LYS A 5 14.969 -2.400 2.320 1.00 1.41 C ATOM 62 CG LYS A 5 15.690 -1.879 3.551 1.00 22.34 C ATOM 63 CD LYS A 5 14.849 -0.860 4.301 1.00 10.02 C ATOM 64 CE LYS A 5 13.467 -1.407 4.624 1.00 20.22 C ATOM 65 NZ LYS A 5 13.517 -2.843 5.016 1.00 74.15 N ATOM 0 H LYS A 5 13.992 -2.190 -0.529 1.00 62.15 H new ATOM 0 HA LYS A 5 14.666 -0.385 1.630 1.00 21.34 H new ATOM 0 HB2 LYS A 5 13.970 -2.728 2.606 1.00 1.41 H new ATOM 0 HB3 LYS A 5 15.497 -3.276 1.944 1.00 1.41 H new ATOM 0 HG2 LYS A 5 15.930 -2.711 4.213 1.00 22.34 H new ATOM 0 HG3 LYS A 5 16.635 -1.424 3.255 1.00 22.34 H new ATOM 0 HD2 LYS A 5 15.355 -0.578 5.224 1.00 10.02 H new ATOM 0 HD3 LYS A 5 14.752 0.045 3.702 1.00 10.02 H new ATOM 0 HE2 LYS A 5 13.026 -0.825 5.433 1.00 20.22 H new ATOM 0 HE3 LYS A 5 12.818 -1.290 3.756 1.00 20.22 H new ATOM 0 HZ1 LYS A 5 12.810 -3.026 5.756 1.00 74.15 H new ATOM 0 HZ2 LYS A 5 13.311 -3.436 4.187 1.00 74.15 H new ATOM 0 HZ3 LYS A 5 14.465 -3.071 5.379 1.00 74.15 H new ATOM 79 N ASN A 6 16.660 -2.475 0.018 1.00 51.03 N ATOM 80 CA ASN A 6 17.901 -2.555 -0.744 1.00 23.44 C ATOM 81 C ASN A 6 17.721 -1.972 -2.142 1.00 32.03 C ATOM 82 O ASN A 6 16.604 -1.886 -2.650 1.00 13.54 O ATOM 83 CB ASN A 6 18.370 -4.008 -0.842 1.00 25.42 C ATOM 84 CG ASN A 6 19.882 -4.129 -0.840 1.00 62.14 C ATOM 85 OD1 ASN A 6 20.586 -3.252 -0.338 1.00 74.41 O ATOM 86 ND2 ASN A 6 20.389 -5.219 -1.405 1.00 30.25 N ATOM 0 H ASN A 6 16.228 -3.377 0.217 1.00 51.03 H new ATOM 0 HA ASN A 6 18.657 -1.970 -0.221 1.00 23.44 H new ATOM 0 HB2 ASN A 6 17.962 -4.576 -0.006 1.00 25.42 H new ATOM 0 HB3 ASN A 6 17.974 -4.454 -1.754 1.00 25.42 H new ATOM 0 HD21 ASN A 6 21.399 -5.355 -1.435 1.00 30.25 H new ATOM 0 HD22 ASN A 6 19.768 -5.920 -1.809 1.00 30.25 H new ATOM 93 N ASN A 7 18.829 -1.574 -2.758 1.00 53.24 N ATOM 94 CA ASN A 7 18.793 -0.999 -4.098 1.00 42.41 C ATOM 95 C ASN A 7 18.599 0.513 -4.036 1.00 1.40 C ATOM 96 O ASN A 7 19.509 1.281 -4.350 1.00 3.44 O ATOM 97 CB ASN A 7 17.670 -1.635 -4.919 1.00 51.13 C ATOM 98 CG ASN A 7 17.977 -1.652 -6.404 1.00 43.42 C ATOM 99 OD1 ASN A 7 18.384 -0.640 -6.977 1.00 22.45 O ATOM 100 ND2 ASN A 7 17.783 -2.804 -7.035 1.00 42.45 N ATOM 0 H ASN A 7 19.762 -1.639 -2.351 1.00 53.24 H new ATOM 0 HA ASN A 7 19.748 -1.206 -4.580 1.00 42.41 H new ATOM 0 HB2 ASN A 7 17.504 -2.655 -4.573 1.00 51.13 H new ATOM 0 HB3 ASN A 7 16.744 -1.086 -4.749 1.00 51.13 H new ATOM 0 HD21 ASN A 7 17.972 -2.876 -8.035 1.00 42.45 H new ATOM 0 HD22 ASN A 7 17.445 -3.617 -6.520 1.00 42.45 H new ATOM 107 N THR A 8 17.406 0.935 -3.628 1.00 40.33 N ATOM 108 CA THR A 8 17.091 2.355 -3.525 1.00 64.41 C ATOM 109 C THR A 8 16.413 2.672 -2.197 1.00 41.34 C ATOM 110 O THR A 8 15.328 2.177 -1.893 1.00 31.10 O ATOM 111 CB THR A 8 16.178 2.813 -4.678 1.00 21.22 C ATOM 112 OG1 THR A 8 16.654 2.282 -5.920 1.00 14.40 O ATOM 113 CG2 THR A 8 16.126 4.331 -4.756 1.00 14.13 C ATOM 0 H THR A 8 16.642 0.313 -3.363 1.00 40.33 H new ATOM 0 HA THR A 8 18.036 2.894 -3.585 1.00 64.41 H new ATOM 0 HB THR A 8 15.172 2.440 -4.486 1.00 21.22 H new ATOM 0 HG1 THR A 8 16.067 2.576 -6.648 1.00 14.40 H new ATOM 0 HG21 THR A 8 15.475 4.631 -5.577 1.00 14.13 H new ATOM 0 HG22 THR A 8 15.736 4.730 -3.820 1.00 14.13 H new ATOM 0 HG23 THR A 8 17.129 4.721 -4.927 1.00 14.13 H new ATOM 121 N PRO A 9 17.065 3.519 -1.387 1.00 21.14 N ATOM 122 CA PRO A 9 16.542 3.923 -0.078 1.00 70.31 C ATOM 123 C PRO A 9 15.318 4.824 -0.196 1.00 73.03 C ATOM 124 O PRO A 9 15.109 5.473 -1.221 1.00 51.31 O ATOM 125 CB PRO A 9 17.710 4.687 0.550 1.00 31.13 C ATOM 126 CG PRO A 9 18.502 5.187 -0.608 1.00 1.32 C ATOM 127 CD PRO A 9 18.363 4.147 -1.685 1.00 52.51 C ATOM 0 HA PRO A 9 16.209 3.067 0.510 1.00 70.31 H new ATOM 0 HB2 PRO A 9 17.356 5.509 1.172 1.00 31.13 H new ATOM 0 HB3 PRO A 9 18.309 4.039 1.189 1.00 31.13 H new ATOM 0 HG2 PRO A 9 18.129 6.153 -0.948 1.00 1.32 H new ATOM 0 HG3 PRO A 9 19.548 5.328 -0.334 1.00 1.32 H new ATOM 0 HD2 PRO A 9 18.374 4.594 -2.679 1.00 52.51 H new ATOM 0 HD3 PRO A 9 19.177 3.423 -1.652 1.00 52.51 H new ATOM 135 N VAL A 10 14.511 4.860 0.859 1.00 34.44 N ATOM 136 CA VAL A 10 13.307 5.683 0.874 1.00 24.13 C ATOM 137 C VAL A 10 13.652 7.157 1.054 1.00 44.15 C ATOM 138 O VAL A 10 14.153 7.565 2.102 1.00 51.15 O ATOM 139 CB VAL A 10 12.346 5.252 1.998 1.00 62.31 C ATOM 140 CG1 VAL A 10 10.994 5.928 1.833 1.00 52.22 C ATOM 141 CG2 VAL A 10 12.196 3.738 2.018 1.00 55.11 C ATOM 0 H VAL A 10 14.669 4.329 1.715 1.00 34.44 H new ATOM 0 HA VAL A 10 12.815 5.542 -0.088 1.00 24.13 H new ATOM 0 HB VAL A 10 12.767 5.565 2.953 1.00 62.31 H new ATOM 0 HG11 VAL A 10 10.328 5.611 2.636 1.00 52.22 H new ATOM 0 HG12 VAL A 10 11.121 7.010 1.872 1.00 52.22 H new ATOM 0 HG13 VAL A 10 10.562 5.648 0.872 1.00 52.22 H new ATOM 0 HG21 VAL A 10 11.514 3.451 2.818 1.00 55.11 H new ATOM 0 HG22 VAL A 10 11.797 3.399 1.062 1.00 55.11 H new ATOM 0 HG23 VAL A 10 13.169 3.278 2.189 1.00 55.11 H new ATOM 151 N SER A 11 13.381 7.952 0.024 1.00 40.25 N ATOM 152 CA SER A 11 13.666 9.382 0.066 1.00 72.35 C ATOM 153 C SER A 11 12.555 10.136 0.790 1.00 20.34 C ATOM 154 O SER A 11 11.381 9.785 0.685 1.00 73.12 O ATOM 155 CB SER A 11 13.830 9.932 -1.352 1.00 44.33 C ATOM 156 OG SER A 11 14.202 8.907 -2.258 1.00 15.24 O ATOM 0 H SER A 11 12.965 7.630 -0.850 1.00 40.25 H new ATOM 0 HA SER A 11 14.597 9.526 0.615 1.00 72.35 H new ATOM 0 HB2 SER A 11 12.896 10.388 -1.678 1.00 44.33 H new ATOM 0 HB3 SER A 11 14.586 10.717 -1.356 1.00 44.33 H new ATOM 0 HG SER A 11 14.299 9.284 -3.157 1.00 15.24 H new ATOM 162 N ASN A 12 12.937 11.174 1.527 1.00 55.32 N ATOM 163 CA ASN A 12 11.974 11.979 2.270 1.00 32.35 C ATOM 164 C ASN A 12 11.021 11.090 3.065 1.00 51.54 C ATOM 165 O ASN A 12 9.858 10.922 2.695 1.00 0.31 O ATOM 166 CB ASN A 12 11.179 12.873 1.316 1.00 65.40 C ATOM 167 CG ASN A 12 11.121 14.313 1.787 1.00 41.03 C ATOM 168 OD1 ASN A 12 10.315 14.664 2.648 1.00 32.13 O ATOM 169 ND2 ASN A 12 11.978 15.155 1.221 1.00 0.33 N ATOM 0 H ASN A 12 13.906 11.477 1.626 1.00 55.32 H new ATOM 0 HA ASN A 12 12.526 12.607 2.969 1.00 32.35 H new ATOM 0 HB2 ASN A 12 11.632 12.836 0.325 1.00 65.40 H new ATOM 0 HB3 ASN A 12 10.165 12.484 1.218 1.00 65.40 H new ATOM 0 HD21 ASN A 12 11.985 16.137 1.496 1.00 0.33 H new ATOM 0 HD22 ASN A 12 12.629 14.820 0.511 1.00 0.33 H new ATOM 176 N LEU A 13 11.521 10.525 4.157 1.00 20.45 N ATOM 177 CA LEU A 13 10.715 9.654 5.006 1.00 74.45 C ATOM 178 C LEU A 13 9.574 10.430 5.655 1.00 55.23 C ATOM 179 O LEU A 13 9.267 11.554 5.256 1.00 12.43 O ATOM 180 CB LEU A 13 11.587 9.009 6.084 1.00 11.44 C ATOM 181 CG LEU A 13 11.445 7.496 6.247 1.00 70.41 C ATOM 182 CD1 LEU A 13 11.717 6.789 4.928 1.00 53.43 C ATOM 183 CD2 LEU A 13 12.384 6.985 7.330 1.00 14.24 C ATOM 0 H LEU A 13 12.481 10.654 4.476 1.00 20.45 H new ATOM 0 HA LEU A 13 10.287 8.872 4.379 1.00 74.45 H new ATOM 0 HB2 LEU A 13 12.630 9.234 5.861 1.00 11.44 H new ATOM 0 HB3 LEU A 13 11.356 9.480 7.039 1.00 11.44 H new ATOM 0 HG LEU A 13 10.421 7.278 6.549 1.00 70.41 H new ATOM 0 HD11 LEU A 13 11.611 5.713 5.064 1.00 53.43 H new ATOM 0 HD12 LEU A 13 11.005 7.132 4.178 1.00 53.43 H new ATOM 0 HD13 LEU A 13 12.730 7.015 4.596 1.00 53.43 H new ATOM 0 HD21 LEU A 13 12.269 5.906 7.432 1.00 14.24 H new ATOM 0 HD22 LEU A 13 13.414 7.216 7.057 1.00 14.24 H new ATOM 0 HD23 LEU A 13 12.143 7.467 8.278 1.00 14.24 H new ATOM 195 N THR A 14 8.948 9.824 6.659 1.00 2.03 N ATOM 196 CA THR A 14 7.842 10.458 7.365 1.00 51.31 C ATOM 197 C THR A 14 7.875 10.124 8.852 1.00 54.41 C ATOM 198 O THR A 14 8.179 8.997 9.238 1.00 33.23 O ATOM 199 CB THR A 14 6.483 10.026 6.783 1.00 72.00 C ATOM 200 OG1 THR A 14 6.546 8.662 6.352 1.00 31.23 O ATOM 201 CG2 THR A 14 6.088 10.915 5.613 1.00 34.42 C ATOM 0 H THR A 14 9.189 8.894 7.002 1.00 2.03 H new ATOM 0 HA THR A 14 7.959 11.534 7.235 1.00 51.31 H new ATOM 0 HB THR A 14 5.730 10.125 7.565 1.00 72.00 H new ATOM 0 HG1 THR A 14 5.678 8.394 5.985 1.00 31.23 H new ATOM 0 HG21 THR A 14 5.125 10.591 5.219 1.00 34.42 H new ATOM 0 HG22 THR A 14 6.012 11.949 5.951 1.00 34.42 H new ATOM 0 HG23 THR A 14 6.843 10.843 4.830 1.00 34.42 H new ATOM 209 N GLY A 15 7.558 11.113 9.683 1.00 43.10 N ATOM 210 CA GLY A 15 7.557 10.903 11.119 1.00 42.31 C ATOM 211 C GLY A 15 6.275 11.379 11.773 1.00 4.14 C ATOM 212 O GLY A 15 6.299 12.258 12.634 1.00 23.42 O ATOM 0 H GLY A 15 7.302 12.055 9.387 1.00 43.10 H new ATOM 0 HA2 GLY A 15 7.696 9.842 11.328 1.00 42.31 H new ATOM 0 HA3 GLY A 15 8.404 11.429 11.561 1.00 42.31 H new ATOM 216 N ASN A 16 5.152 10.799 11.363 1.00 24.51 N ATOM 217 CA ASN A 16 3.854 11.170 11.914 1.00 3.41 C ATOM 218 C ASN A 16 3.638 10.525 13.279 1.00 33.24 C ATOM 219 O ASN A 16 3.979 9.361 13.489 1.00 33.44 O ATOM 220 CB ASN A 16 2.734 10.756 10.958 1.00 13.32 C ATOM 221 CG ASN A 16 1.589 11.751 10.943 1.00 4.32 C ATOM 222 OD1 ASN A 16 0.831 11.856 11.907 1.00 55.00 O ATOM 223 ND2 ASN A 16 1.460 12.488 9.846 1.00 63.12 N ATOM 0 H ASN A 16 5.115 10.070 10.651 1.00 24.51 H new ATOM 0 HA ASN A 16 3.835 12.253 12.037 1.00 3.41 H new ATOM 0 HB2 ASN A 16 3.138 10.656 9.951 1.00 13.32 H new ATOM 0 HB3 ASN A 16 2.356 9.776 11.248 1.00 13.32 H new ATOM 0 HD21 ASN A 16 0.709 13.175 9.779 1.00 63.12 H new ATOM 0 HD22 ASN A 16 2.112 12.367 9.071 1.00 63.12 H new ATOM 230 N LYS A 17 3.068 11.289 14.205 1.00 31.22 N ATOM 231 CA LYS A 17 2.803 10.793 15.550 1.00 21.44 C ATOM 232 C LYS A 17 2.029 9.479 15.503 1.00 2.03 C ATOM 233 O LYS A 17 2.387 8.512 16.174 1.00 24.10 O ATOM 234 CB LYS A 17 2.017 11.831 16.354 1.00 41.32 C ATOM 235 CG LYS A 17 1.018 12.616 15.521 1.00 60.41 C ATOM 236 CD LYS A 17 1.472 14.050 15.310 1.00 44.12 C ATOM 237 CE LYS A 17 0.844 14.989 16.328 1.00 50.42 C ATOM 238 NZ LYS A 17 0.971 14.467 17.717 1.00 43.43 N ATOM 0 H LYS A 17 2.781 12.255 14.048 1.00 31.22 H new ATOM 0 HA LYS A 17 3.761 10.613 16.038 1.00 21.44 H new ATOM 0 HB2 LYS A 17 1.487 11.327 17.162 1.00 41.32 H new ATOM 0 HB3 LYS A 17 2.717 12.526 16.817 1.00 41.32 H new ATOM 0 HG2 LYS A 17 0.887 12.129 14.555 1.00 60.41 H new ATOM 0 HG3 LYS A 17 0.047 12.610 16.015 1.00 60.41 H new ATOM 0 HD2 LYS A 17 2.558 14.104 15.385 1.00 44.12 H new ATOM 0 HD3 LYS A 17 1.206 14.373 14.303 1.00 44.12 H new ATOM 0 HE2 LYS A 17 1.321 15.967 16.263 1.00 50.42 H new ATOM 0 HE3 LYS A 17 -0.210 15.132 16.089 1.00 50.42 H new ATOM 0 HZ1 LYS A 17 0.703 15.210 18.393 1.00 43.43 H new ATOM 0 HZ2 LYS A 17 0.344 13.646 17.838 1.00 43.43 H new ATOM 0 HZ3 LYS A 17 1.955 14.179 17.891 1.00 43.43 H new ATOM 252 N GLY A 18 0.966 9.452 14.705 1.00 64.43 N ATOM 253 CA GLY A 18 0.160 8.251 14.584 1.00 11.11 C ATOM 254 C GLY A 18 0.518 7.432 13.360 1.00 45.30 C ATOM 255 O GLY A 18 0.676 6.214 13.444 1.00 55.23 O ATOM 0 H GLY A 18 0.649 10.240 14.140 1.00 64.43 H new ATOM 0 HA2 GLY A 18 0.289 7.639 15.477 1.00 11.11 H new ATOM 0 HA3 GLY A 18 -0.893 8.528 14.537 1.00 11.11 H new ATOM 259 N SER A 19 0.647 8.102 12.219 1.00 71.31 N ATOM 260 CA SER A 19 0.984 7.427 10.971 1.00 53.23 C ATOM 261 C SER A 19 2.433 6.952 10.984 1.00 45.20 C ATOM 262 O SER A 19 3.348 7.725 11.266 1.00 0.44 O ATOM 263 CB SER A 19 0.753 8.363 9.782 1.00 35.34 C ATOM 264 OG SER A 19 -0.455 8.046 9.111 1.00 23.03 O ATOM 0 H SER A 19 0.523 9.111 12.133 1.00 71.31 H new ATOM 0 HA SER A 19 0.336 6.557 10.871 1.00 53.23 H new ATOM 0 HB2 SER A 19 0.720 9.396 10.129 1.00 35.34 H new ATOM 0 HB3 SER A 19 1.589 8.287 9.087 1.00 35.34 H new ATOM 0 HG SER A 19 -0.581 8.659 8.357 1.00 23.03 H new ATOM 270 N GLU A 20 2.634 5.674 10.676 1.00 11.53 N ATOM 271 CA GLU A 20 3.972 5.096 10.654 1.00 61.33 C ATOM 272 C GLU A 20 4.232 4.377 9.333 1.00 73.30 C ATOM 273 O GLU A 20 3.299 4.025 8.611 1.00 53.33 O ATOM 274 CB GLU A 20 4.151 4.122 11.821 1.00 54.24 C ATOM 275 CG GLU A 20 3.715 4.691 13.160 1.00 13.43 C ATOM 276 CD GLU A 20 3.696 3.647 14.260 1.00 44.33 C ATOM 277 OE1 GLU A 20 4.445 2.654 14.146 1.00 72.21 O ATOM 278 OE2 GLU A 20 2.934 3.823 15.233 1.00 23.00 O ATOM 0 H GLU A 20 1.888 5.020 10.439 1.00 11.53 H new ATOM 0 HA GLU A 20 4.692 5.908 10.754 1.00 61.33 H new ATOM 0 HB2 GLU A 20 3.581 3.216 11.618 1.00 54.24 H new ATOM 0 HB3 GLU A 20 5.200 3.831 11.883 1.00 54.24 H new ATOM 0 HG2 GLU A 20 4.389 5.500 13.443 1.00 13.43 H new ATOM 0 HG3 GLU A 20 2.720 5.125 13.059 1.00 13.43 H new ATOM 285 N VAL A 21 5.506 4.162 9.024 1.00 64.25 N ATOM 286 CA VAL A 21 5.890 3.485 7.791 1.00 62.34 C ATOM 287 C VAL A 21 6.705 2.230 8.084 1.00 61.15 C ATOM 288 O VAL A 21 7.566 2.227 8.964 1.00 41.24 O ATOM 289 CB VAL A 21 6.708 4.412 6.872 1.00 21.12 C ATOM 290 CG1 VAL A 21 5.955 4.681 5.578 1.00 4.41 C ATOM 291 CG2 VAL A 21 7.038 5.713 7.587 1.00 4.34 C ATOM 0 H VAL A 21 6.290 4.447 9.611 1.00 64.25 H new ATOM 0 HA VAL A 21 4.967 3.205 7.283 1.00 62.34 H new ATOM 0 HB VAL A 21 7.645 3.914 6.622 1.00 21.12 H new ATOM 0 HG11 VAL A 21 6.548 5.338 4.942 1.00 4.41 H new ATOM 0 HG12 VAL A 21 5.774 3.739 5.060 1.00 4.41 H new ATOM 0 HG13 VAL A 21 5.002 5.159 5.804 1.00 4.41 H new ATOM 0 HG21 VAL A 21 7.616 6.356 6.924 1.00 4.34 H new ATOM 0 HG22 VAL A 21 6.114 6.218 7.868 1.00 4.34 H new ATOM 0 HG23 VAL A 21 7.621 5.498 8.483 1.00 4.34 H new ATOM 301 N PHE A 22 6.428 1.164 7.340 1.00 41.24 N ATOM 302 CA PHE A 22 7.135 -0.098 7.519 1.00 23.45 C ATOM 303 C PHE A 22 7.500 -0.714 6.172 1.00 71.31 C ATOM 304 O PHE A 22 6.768 -0.569 5.192 1.00 24.02 O ATOM 305 CB PHE A 22 6.278 -1.077 8.325 1.00 23.10 C ATOM 306 CG PHE A 22 5.094 -1.603 7.565 1.00 10.43 C ATOM 307 CD1 PHE A 22 3.902 -0.897 7.540 1.00 33.32 C ATOM 308 CD2 PHE A 22 5.173 -2.802 6.877 1.00 71.44 C ATOM 309 CE1 PHE A 22 2.810 -1.378 6.842 1.00 40.13 C ATOM 310 CE2 PHE A 22 4.085 -3.288 6.176 1.00 11.41 C ATOM 311 CZ PHE A 22 2.902 -2.575 6.160 1.00 74.24 C ATOM 0 H PHE A 22 5.719 1.150 6.607 1.00 41.24 H new ATOM 0 HA PHE A 22 8.055 0.105 8.066 1.00 23.45 H new ATOM 0 HB2 PHE A 22 6.898 -1.916 8.641 1.00 23.10 H new ATOM 0 HB3 PHE A 22 5.928 -0.581 9.230 1.00 23.10 H new ATOM 0 HD1 PHE A 22 3.825 0.040 8.072 1.00 33.32 H new ATOM 0 HD2 PHE A 22 6.095 -3.364 6.888 1.00 71.44 H new ATOM 0 HE1 PHE A 22 1.886 -0.818 6.830 1.00 40.13 H new ATOM 0 HE2 PHE A 22 4.160 -4.224 5.642 1.00 11.41 H new ATOM 0 HZ PHE A 22 2.050 -2.953 5.615 1.00 74.24 H new ATOM 321 N TYR A 23 8.636 -1.402 6.131 1.00 51.45 N ATOM 322 CA TYR A 23 9.100 -2.037 4.903 1.00 23.33 C ATOM 323 C TYR A 23 9.791 -3.364 5.205 1.00 75.15 C ATOM 324 O TYR A 23 10.145 -3.648 6.349 1.00 20.32 O ATOM 325 CB TYR A 23 10.059 -1.110 4.155 1.00 54.45 C ATOM 326 CG TYR A 23 9.592 0.328 4.101 1.00 74.55 C ATOM 327 CD1 TYR A 23 8.534 0.705 3.283 1.00 72.23 C ATOM 328 CD2 TYR A 23 10.208 1.308 4.868 1.00 31.04 C ATOM 329 CE1 TYR A 23 8.105 2.017 3.230 1.00 74.33 C ATOM 330 CE2 TYR A 23 9.784 2.622 4.823 1.00 44.20 C ATOM 331 CZ TYR A 23 8.733 2.972 4.002 1.00 73.42 C ATOM 332 OH TYR A 23 8.307 4.279 3.953 1.00 42.31 O ATOM 0 H TYR A 23 9.252 -1.534 6.933 1.00 51.45 H new ATOM 0 HA TYR A 23 8.231 -2.233 4.275 1.00 23.33 H new ATOM 0 HB2 TYR A 23 11.037 -1.148 4.635 1.00 54.45 H new ATOM 0 HB3 TYR A 23 10.189 -1.480 3.138 1.00 54.45 H new ATOM 0 HD1 TYR A 23 8.039 -0.040 2.678 1.00 72.23 H new ATOM 0 HD2 TYR A 23 11.033 1.038 5.511 1.00 31.04 H new ATOM 0 HE1 TYR A 23 7.282 2.294 2.587 1.00 74.33 H new ATOM 0 HE2 TYR A 23 10.273 3.371 5.428 1.00 44.20 H new ATOM 0 HH TYR A 23 8.853 4.824 4.557 1.00 42.31 H new ATOM 342 N THR A 24 9.979 -4.174 4.168 1.00 62.54 N ATOM 343 CA THR A 24 10.626 -5.472 4.319 1.00 1.40 C ATOM 344 C THR A 24 11.494 -5.798 3.109 1.00 54.02 C ATOM 345 O THR A 24 11.104 -5.549 1.968 1.00 50.23 O ATOM 346 CB THR A 24 9.592 -6.596 4.513 1.00 34.21 C ATOM 347 OG1 THR A 24 8.685 -6.251 5.566 1.00 34.01 O ATOM 348 CG2 THR A 24 10.279 -7.913 4.840 1.00 31.23 C ATOM 0 H THR A 24 9.692 -3.954 3.214 1.00 62.54 H new ATOM 0 HA THR A 24 11.255 -5.410 5.207 1.00 1.40 H new ATOM 0 HB THR A 24 9.038 -6.715 3.582 1.00 34.21 H new ATOM 0 HG1 THR A 24 7.940 -6.888 5.578 1.00 34.01 H new ATOM 0 HG21 THR A 24 9.528 -8.692 4.973 1.00 31.23 H new ATOM 0 HG22 THR A 24 10.947 -8.188 4.023 1.00 31.23 H new ATOM 0 HG23 THR A 24 10.855 -7.804 5.759 1.00 31.23 H new ATOM 356 N PHE A 25 12.671 -6.358 3.365 1.00 45.45 N ATOM 357 CA PHE A 25 13.595 -6.718 2.295 1.00 31.20 C ATOM 358 C PHE A 25 14.608 -7.752 2.777 1.00 4.01 C ATOM 359 O PHE A 25 14.790 -7.947 3.979 1.00 22.44 O ATOM 360 CB PHE A 25 14.323 -5.475 1.780 1.00 2.24 C ATOM 361 CG PHE A 25 14.500 -5.458 0.289 1.00 53.11 C ATOM 362 CD1 PHE A 25 13.523 -4.917 -0.531 1.00 51.15 C ATOM 363 CD2 PHE A 25 15.643 -5.982 -0.293 1.00 33.43 C ATOM 364 CE1 PHE A 25 13.683 -4.901 -1.904 1.00 54.12 C ATOM 365 CE2 PHE A 25 15.808 -5.969 -1.665 1.00 2.21 C ATOM 366 CZ PHE A 25 14.827 -5.426 -2.472 1.00 21.34 C ATOM 0 H PHE A 25 13.008 -6.573 4.303 1.00 45.45 H new ATOM 0 HA PHE A 25 13.016 -7.154 1.481 1.00 31.20 H new ATOM 0 HB2 PHE A 25 13.767 -4.587 2.082 1.00 2.24 H new ATOM 0 HB3 PHE A 25 15.302 -5.415 2.255 1.00 2.24 H new ATOM 0 HD1 PHE A 25 12.627 -4.503 -0.093 1.00 51.15 H new ATOM 0 HD2 PHE A 25 16.414 -6.406 0.333 1.00 33.43 H new ATOM 0 HE1 PHE A 25 12.913 -4.478 -2.532 1.00 54.12 H new ATOM 0 HE2 PHE A 25 16.703 -6.383 -2.106 1.00 2.21 H new ATOM 0 HZ PHE A 25 14.954 -5.412 -3.544 1.00 21.34 H new ATOM 376 N THR A 26 15.267 -8.413 1.830 1.00 72.00 N ATOM 377 CA THR A 26 16.261 -9.428 2.156 1.00 15.02 C ATOM 378 C THR A 26 17.561 -9.187 1.399 1.00 24.21 C ATOM 379 O THR A 26 17.625 -8.341 0.507 1.00 31.11 O ATOM 380 CB THR A 26 15.746 -10.843 1.832 1.00 35.11 C ATOM 381 OG1 THR A 26 15.763 -11.059 0.417 1.00 44.44 O ATOM 382 CG2 THR A 26 14.333 -11.040 2.362 1.00 3.44 C ATOM 0 H THR A 26 15.130 -8.263 0.830 1.00 72.00 H new ATOM 0 HA THR A 26 16.449 -9.354 3.227 1.00 15.02 H new ATOM 0 HB THR A 26 16.404 -11.564 2.318 1.00 35.11 H new ATOM 0 HG1 THR A 26 15.436 -11.961 0.220 1.00 44.44 H new ATOM 0 HG21 THR A 26 13.991 -12.047 2.121 1.00 3.44 H new ATOM 0 HG22 THR A 26 14.328 -10.904 3.443 1.00 3.44 H new ATOM 0 HG23 THR A 26 13.667 -10.311 1.902 1.00 3.44 H new ATOM 390 N VAL A 27 18.598 -9.937 1.760 1.00 42.13 N ATOM 391 CA VAL A 27 19.898 -9.806 1.113 1.00 62.04 C ATOM 392 C VAL A 27 20.184 -10.998 0.207 1.00 73.54 C ATOM 393 O VAL A 27 19.482 -12.009 0.254 1.00 61.11 O ATOM 394 CB VAL A 27 21.031 -9.680 2.149 1.00 53.22 C ATOM 395 CG1 VAL A 27 20.927 -8.358 2.895 1.00 21.41 C ATOM 396 CG2 VAL A 27 20.999 -10.852 3.117 1.00 23.43 C ATOM 0 H VAL A 27 18.563 -10.641 2.497 1.00 42.13 H new ATOM 0 HA VAL A 27 19.862 -8.897 0.513 1.00 62.04 H new ATOM 0 HB VAL A 27 21.986 -9.699 1.623 1.00 53.22 H new ATOM 0 HG11 VAL A 27 21.735 -8.286 3.623 1.00 21.41 H new ATOM 0 HG12 VAL A 27 21.003 -7.533 2.186 1.00 21.41 H new ATOM 0 HG13 VAL A 27 19.968 -8.306 3.411 1.00 21.41 H new ATOM 0 HG21 VAL A 27 21.806 -10.747 3.842 1.00 23.43 H new ATOM 0 HG22 VAL A 27 20.042 -10.867 3.639 1.00 23.43 H new ATOM 0 HG23 VAL A 27 21.126 -11.783 2.565 1.00 23.43 H new ATOM 406 N ASP A 28 21.218 -10.874 -0.617 1.00 41.14 N ATOM 407 CA ASP A 28 21.598 -11.942 -1.534 1.00 63.42 C ATOM 408 C ASP A 28 22.875 -12.633 -1.064 1.00 40.35 C ATOM 409 O ASP A 28 22.934 -13.860 -0.981 1.00 2.53 O ATOM 410 CB ASP A 28 21.794 -11.387 -2.946 1.00 11.33 C ATOM 411 CG ASP A 28 20.556 -10.684 -3.468 1.00 3.33 C ATOM 412 OD1 ASP A 28 19.593 -11.382 -3.847 1.00 23.10 O ATOM 413 OD2 ASP A 28 20.551 -9.435 -3.498 1.00 1.01 O ATOM 0 H ASP A 28 21.809 -10.044 -0.669 1.00 41.14 H new ATOM 0 HA ASP A 28 20.793 -12.677 -1.550 1.00 63.42 H new ATOM 0 HB2 ASP A 28 22.632 -10.690 -2.946 1.00 11.33 H new ATOM 0 HB3 ASP A 28 22.057 -12.202 -3.620 1.00 11.33 H new ATOM 418 N ARG A 29 23.895 -11.836 -0.760 1.00 73.55 N ATOM 419 CA ARG A 29 25.171 -12.371 -0.302 1.00 21.14 C ATOM 420 C ARG A 29 25.583 -11.734 1.022 1.00 2.41 C ATOM 421 O ARG A 29 25.144 -10.634 1.356 1.00 42.01 O ATOM 422 CB ARG A 29 26.256 -12.133 -1.354 1.00 33.41 C ATOM 423 CG ARG A 29 27.546 -12.888 -1.080 1.00 22.23 C ATOM 424 CD ARG A 29 27.311 -14.389 -1.016 1.00 71.23 C ATOM 425 NE ARG A 29 28.491 -15.146 -1.424 1.00 64.13 N ATOM 426 CZ ARG A 29 28.479 -16.452 -1.667 1.00 24.00 C ATOM 427 NH1 ARG A 29 27.354 -17.142 -1.544 1.00 21.22 N ATOM 428 NH2 ARG A 29 29.595 -17.070 -2.034 1.00 73.03 N ATOM 0 H ARG A 29 23.862 -10.818 -0.823 1.00 73.55 H new ATOM 0 HA ARG A 29 25.053 -13.444 -0.149 1.00 21.14 H new ATOM 0 HB2 ARG A 29 25.873 -12.427 -2.331 1.00 33.41 H new ATOM 0 HB3 ARG A 29 26.473 -11.066 -1.405 1.00 33.41 H new ATOM 0 HG2 ARG A 29 28.272 -12.665 -1.862 1.00 22.23 H new ATOM 0 HG3 ARG A 29 27.976 -12.546 -0.139 1.00 22.23 H new ATOM 0 HD2 ARG A 29 27.034 -14.669 0.000 1.00 71.23 H new ATOM 0 HD3 ARG A 29 26.471 -14.652 -1.659 1.00 71.23 H new ATOM 0 HE ARG A 29 29.373 -14.644 -1.528 1.00 64.13 H new ATOM 0 HH11 ARG A 29 26.495 -16.670 -1.262 1.00 21.22 H new ATOM 0 HH12 ARG A 29 27.348 -18.145 -1.731 1.00 21.22 H new ATOM 0 HH21 ARG A 29 30.463 -16.542 -2.130 1.00 73.03 H new ATOM 0 HH22 ARG A 29 29.585 -18.073 -2.220 1.00 73.03 H new ATOM 442 N ASN A 30 26.429 -12.433 1.772 1.00 42.13 N ATOM 443 CA ASN A 30 26.900 -11.936 3.059 1.00 13.25 C ATOM 444 C ASN A 30 28.003 -10.899 2.872 1.00 23.01 C ATOM 445 O ASN A 30 29.088 -11.213 2.383 1.00 73.53 O ATOM 446 CB ASN A 30 27.412 -13.093 3.920 1.00 41.42 C ATOM 447 CG ASN A 30 28.304 -12.620 5.052 1.00 62.43 C ATOM 448 OD1 ASN A 30 27.832 -12.036 6.027 1.00 34.50 O ATOM 449 ND2 ASN A 30 29.602 -12.872 4.926 1.00 1.41 N ATOM 0 H ASN A 30 26.802 -13.345 1.510 1.00 42.13 H new ATOM 0 HA ASN A 30 26.061 -11.459 3.565 1.00 13.25 H new ATOM 0 HB2 ASN A 30 26.563 -13.638 4.333 1.00 41.42 H new ATOM 0 HB3 ASN A 30 27.965 -13.792 3.293 1.00 41.42 H new ATOM 0 HD21 ASN A 30 30.252 -12.578 5.655 1.00 1.41 H new ATOM 0 HD22 ASN A 30 29.949 -13.359 4.100 1.00 1.41 H new ATOM 456 N ALA A 31 27.718 -9.662 3.266 1.00 44.04 N ATOM 457 CA ALA A 31 28.687 -8.580 3.144 1.00 51.52 C ATOM 458 C ALA A 31 28.606 -7.634 4.337 1.00 2.32 C ATOM 459 O ALA A 31 27.528 -7.396 4.883 1.00 22.12 O ATOM 460 CB ALA A 31 28.465 -7.816 1.847 1.00 55.13 C ATOM 0 H ALA A 31 26.824 -9.385 3.672 1.00 44.04 H new ATOM 0 HA ALA A 31 29.685 -9.019 3.128 1.00 51.52 H new ATOM 0 HB1 ALA A 31 29.196 -7.011 1.769 1.00 55.13 H new ATOM 0 HB2 ALA A 31 28.580 -8.494 1.001 1.00 55.13 H new ATOM 0 HB3 ALA A 31 27.460 -7.395 1.840 1.00 55.13 H new ATOM 466 N THR A 32 29.754 -7.096 4.739 1.00 32.01 N ATOM 467 CA THR A 32 29.813 -6.178 5.869 1.00 1.42 C ATOM 468 C THR A 32 29.826 -4.728 5.399 1.00 1.42 C ATOM 469 O THR A 32 30.826 -4.247 4.867 1.00 1.42 O ATOM 470 CB THR A 32 31.059 -6.435 6.737 1.00 21.15 C ATOM 471 OG1 THR A 32 31.124 -7.818 7.103 1.00 63.00 O ATOM 472 CG2 THR A 32 31.032 -5.575 7.992 1.00 51.43 C ATOM 0 H THR A 32 30.655 -7.281 4.298 1.00 32.01 H new ATOM 0 HA THR A 32 28.919 -6.356 6.467 1.00 1.42 H new ATOM 0 HB THR A 32 31.941 -6.171 6.154 1.00 21.15 H new ATOM 0 HG1 THR A 32 31.920 -7.974 7.654 1.00 63.00 H new ATOM 0 HG21 THR A 32 31.922 -5.774 8.589 1.00 51.43 H new ATOM 0 HG22 THR A 32 31.012 -4.522 7.711 1.00 51.43 H new ATOM 0 HG23 THR A 32 30.143 -5.812 8.576 1.00 51.43 H new ATOM 480 N ALA A 33 28.709 -4.035 5.600 1.00 64.44 N ATOM 481 CA ALA A 33 28.594 -2.639 5.198 1.00 11.14 C ATOM 482 C ALA A 33 27.904 -1.813 6.279 1.00 45.41 C ATOM 483 O ALA A 33 27.054 -2.317 7.013 1.00 42.04 O ATOM 484 CB ALA A 33 27.837 -2.528 3.883 1.00 32.43 C ATOM 0 H ALA A 33 27.872 -4.418 6.039 1.00 64.44 H new ATOM 0 HA ALA A 33 29.600 -2.242 5.059 1.00 11.14 H new ATOM 0 HB1 ALA A 33 27.759 -1.480 3.595 1.00 32.43 H new ATOM 0 HB2 ALA A 33 28.371 -3.078 3.108 1.00 32.43 H new ATOM 0 HB3 ALA A 33 26.838 -2.947 4.002 1.00 32.43 H new ATOM 490 N VAL A 34 28.277 -0.540 6.372 1.00 10.01 N ATOM 491 CA VAL A 34 27.694 0.357 7.363 1.00 20.41 C ATOM 492 C VAL A 34 26.735 1.347 6.712 1.00 62.13 C ATOM 493 O VAL A 34 27.149 2.212 5.940 1.00 51.30 O ATOM 494 CB VAL A 34 28.783 1.137 8.123 1.00 12.31 C ATOM 495 CG1 VAL A 34 29.736 1.811 7.148 1.00 62.21 C ATOM 496 CG2 VAL A 34 28.152 2.159 9.056 1.00 13.43 C ATOM 0 H VAL A 34 28.980 -0.107 5.773 1.00 10.01 H new ATOM 0 HA VAL A 34 27.144 -0.266 8.069 1.00 20.41 H new ATOM 0 HB VAL A 34 29.356 0.433 8.726 1.00 12.31 H new ATOM 0 HG11 VAL A 34 30.498 2.357 7.703 1.00 62.21 H new ATOM 0 HG12 VAL A 34 30.213 1.055 6.524 1.00 62.21 H new ATOM 0 HG13 VAL A 34 29.180 2.504 6.517 1.00 62.21 H new ATOM 0 HG21 VAL A 34 28.936 2.701 9.585 1.00 13.43 H new ATOM 0 HG22 VAL A 34 27.554 2.861 8.475 1.00 13.43 H new ATOM 0 HG23 VAL A 34 27.514 1.648 9.777 1.00 13.43 H new ATOM 506 N VAL A 35 25.451 1.214 7.028 1.00 10.21 N ATOM 507 CA VAL A 35 24.432 2.098 6.475 1.00 1.41 C ATOM 508 C VAL A 35 23.601 2.738 7.581 1.00 14.22 C ATOM 509 O VAL A 35 23.255 2.088 8.567 1.00 20.24 O ATOM 510 CB VAL A 35 23.494 1.343 5.515 1.00 64.22 C ATOM 511 CG1 VAL A 35 22.583 2.316 4.782 1.00 22.32 C ATOM 512 CG2 VAL A 35 24.300 0.509 4.530 1.00 43.52 C ATOM 0 H VAL A 35 25.092 0.502 7.664 1.00 10.21 H new ATOM 0 HA VAL A 35 24.956 2.877 5.921 1.00 1.41 H new ATOM 0 HB VAL A 35 22.869 0.669 6.101 1.00 64.22 H new ATOM 0 HG11 VAL A 35 21.928 1.764 4.108 1.00 22.32 H new ATOM 0 HG12 VAL A 35 21.980 2.865 5.505 1.00 22.32 H new ATOM 0 HG13 VAL A 35 23.187 3.017 4.206 1.00 22.32 H new ATOM 0 HG21 VAL A 35 23.622 -0.018 3.859 1.00 43.52 H new ATOM 0 HG22 VAL A 35 24.951 1.161 3.949 1.00 43.52 H new ATOM 0 HG23 VAL A 35 24.905 -0.215 5.076 1.00 43.52 H new ATOM 522 N SER A 36 23.282 4.017 7.410 1.00 51.31 N ATOM 523 CA SER A 36 22.493 4.747 8.395 1.00 1.15 C ATOM 524 C SER A 36 21.467 5.646 7.712 1.00 32.23 C ATOM 525 O SER A 36 21.535 5.878 6.505 1.00 43.20 O ATOM 526 CB SER A 36 23.407 5.586 9.291 1.00 53.30 C ATOM 527 OG SER A 36 24.752 5.522 8.850 1.00 51.20 O ATOM 0 H SER A 36 23.558 4.569 6.598 1.00 51.31 H new ATOM 0 HA SER A 36 21.961 4.020 9.009 1.00 1.15 H new ATOM 0 HB2 SER A 36 23.070 6.623 9.291 1.00 53.30 H new ATOM 0 HB3 SER A 36 23.341 5.230 10.319 1.00 53.30 H new ATOM 0 HG SER A 36 25.315 6.068 9.438 1.00 51.20 H new ATOM 533 N ILE A 37 20.516 6.148 8.493 1.00 24.24 N ATOM 534 CA ILE A 37 19.476 7.022 7.965 1.00 63.41 C ATOM 535 C ILE A 37 19.650 8.450 8.468 1.00 4.44 C ATOM 536 O ILE A 37 20.116 8.673 9.586 1.00 52.40 O ATOM 537 CB ILE A 37 18.071 6.521 8.350 1.00 45.32 C ATOM 538 CG1 ILE A 37 17.631 7.142 9.677 1.00 23.23 C ATOM 539 CG2 ILE A 37 18.056 5.003 8.438 1.00 72.42 C ATOM 540 CD1 ILE A 37 18.405 6.627 10.871 1.00 73.10 C ATOM 0 H ILE A 37 20.445 5.964 9.494 1.00 24.24 H new ATOM 0 HA ILE A 37 19.573 7.008 6.879 1.00 63.41 H new ATOM 0 HB ILE A 37 17.367 6.827 7.576 1.00 45.32 H new ATOM 0 HG12 ILE A 37 17.747 8.224 9.618 1.00 23.23 H new ATOM 0 HG13 ILE A 37 16.570 6.942 9.828 1.00 23.23 H new ATOM 0 HG21 ILE A 37 17.057 4.664 8.711 1.00 72.42 H new ATOM 0 HG22 ILE A 37 18.331 4.580 7.472 1.00 72.42 H new ATOM 0 HG23 ILE A 37 18.769 4.675 9.194 1.00 72.42 H new ATOM 0 HD11 ILE A 37 18.040 7.110 11.777 1.00 73.10 H new ATOM 0 HD12 ILE A 37 18.269 5.549 10.955 1.00 73.10 H new ATOM 0 HD13 ILE A 37 19.464 6.850 10.742 1.00 73.10 H new ATOM 552 N SER A 38 19.272 9.415 7.636 1.00 11.54 N ATOM 553 CA SER A 38 19.388 10.824 7.996 1.00 31.10 C ATOM 554 C SER A 38 18.849 11.715 6.881 1.00 12.34 C ATOM 555 O SER A 38 18.551 11.245 5.784 1.00 12.14 O ATOM 556 CB SER A 38 20.847 11.179 8.288 1.00 41.01 C ATOM 557 OG SER A 38 21.423 11.896 7.210 1.00 70.13 O ATOM 0 H SER A 38 18.883 9.247 6.708 1.00 11.54 H new ATOM 0 HA SER A 38 18.794 10.995 8.894 1.00 31.10 H new ATOM 0 HB2 SER A 38 20.904 11.776 9.198 1.00 41.01 H new ATOM 0 HB3 SER A 38 21.417 10.268 8.469 1.00 41.01 H new ATOM 0 HG SER A 38 22.355 12.112 7.422 1.00 70.13 H new ATOM 563 N GLY A 39 18.726 13.007 7.172 1.00 2.11 N ATOM 564 CA GLY A 39 18.223 13.945 6.186 1.00 62.04 C ATOM 565 C GLY A 39 17.676 15.211 6.815 1.00 32.41 C ATOM 566 O GLY A 39 17.641 16.263 6.179 1.00 14.35 O ATOM 0 H GLY A 39 18.966 13.420 8.073 1.00 2.11 H new ATOM 0 HA2 GLY A 39 19.024 14.204 5.494 1.00 62.04 H new ATOM 0 HA3 GLY A 39 17.438 13.466 5.600 1.00 62.04 H new ATOM 595 N ASP A 43 13.684 12.447 14.182 1.00 42.12 N ATOM 596 CA ASP A 43 12.248 12.199 14.240 1.00 64.41 C ATOM 597 C ASP A 43 11.918 10.799 13.731 1.00 40.14 C ATOM 598 O ASP A 43 11.035 10.127 14.262 1.00 22.24 O ATOM 599 CB ASP A 43 11.494 13.245 13.418 1.00 45.11 C ATOM 600 CG ASP A 43 11.250 14.525 14.194 1.00 64.35 C ATOM 601 OD1 ASP A 43 12.156 15.384 14.220 1.00 61.21 O ATOM 602 OD2 ASP A 43 10.154 14.667 14.775 1.00 61.41 O ATOM 0 HA ASP A 43 11.933 12.272 15.281 1.00 64.41 H new ATOM 0 HB2 ASP A 43 12.062 13.473 12.516 1.00 45.11 H new ATOM 0 HB3 ASP A 43 10.538 12.831 13.096 1.00 45.11 H new ATOM 607 N ALA A 44 12.632 10.367 12.696 1.00 4.44 N ATOM 608 CA ALA A 44 12.416 9.048 12.116 1.00 52.01 C ATOM 609 C ALA A 44 13.315 8.005 12.772 1.00 52.44 C ATOM 610 O ALA A 44 14.539 8.072 12.664 1.00 5.34 O ATOM 611 CB ALA A 44 12.657 9.086 10.614 1.00 12.21 C ATOM 0 H ALA A 44 13.365 10.912 12.242 1.00 4.44 H new ATOM 0 HA ALA A 44 11.380 8.763 12.300 1.00 52.01 H new ATOM 0 HB1 ALA A 44 12.492 8.094 10.194 1.00 12.21 H new ATOM 0 HB2 ALA A 44 11.969 9.794 10.153 1.00 12.21 H new ATOM 0 HB3 ALA A 44 13.683 9.397 10.418 1.00 12.21 H new ATOM 617 N ASP A 45 12.700 7.044 13.451 1.00 74.43 N ATOM 618 CA ASP A 45 13.445 5.986 14.124 1.00 52.12 C ATOM 619 C ASP A 45 13.625 4.780 13.207 1.00 13.02 C ATOM 620 O ASP A 45 12.860 4.587 12.261 1.00 64.51 O ATOM 621 CB ASP A 45 12.727 5.565 15.407 1.00 21.40 C ATOM 622 CG ASP A 45 12.113 6.741 16.140 1.00 52.01 C ATOM 623 OD1 ASP A 45 12.659 7.859 16.032 1.00 64.12 O ATOM 624 OD2 ASP A 45 11.085 6.544 16.821 1.00 51.02 O ATOM 0 H ASP A 45 11.687 6.975 13.550 1.00 74.43 H new ATOM 0 HA ASP A 45 14.431 6.375 14.380 1.00 52.12 H new ATOM 0 HB2 ASP A 45 11.946 4.845 15.163 1.00 21.40 H new ATOM 0 HB3 ASP A 45 13.433 5.059 16.065 1.00 21.40 H new ATOM 629 N LEU A 46 14.640 3.972 13.493 1.00 11.43 N ATOM 630 CA LEU A 46 14.921 2.785 12.694 1.00 24.11 C ATOM 631 C LEU A 46 14.959 1.536 13.569 1.00 13.00 C ATOM 632 O LEU A 46 15.638 1.505 14.595 1.00 24.42 O ATOM 633 CB LEU A 46 16.253 2.945 11.958 1.00 55.43 C ATOM 634 CG LEU A 46 17.039 1.659 11.704 1.00 74.32 C ATOM 635 CD1 LEU A 46 16.198 0.667 10.914 1.00 24.25 C ATOM 636 CD2 LEU A 46 18.337 1.963 10.971 1.00 60.22 C ATOM 0 H LEU A 46 15.282 4.117 14.272 1.00 11.43 H new ATOM 0 HA LEU A 46 14.120 2.671 11.964 1.00 24.11 H new ATOM 0 HB2 LEU A 46 16.059 3.424 10.998 1.00 55.43 H new ATOM 0 HB3 LEU A 46 16.883 3.624 12.532 1.00 55.43 H new ATOM 0 HG LEU A 46 17.285 1.210 12.666 1.00 74.32 H new ATOM 0 HD11 LEU A 46 16.774 -0.243 10.742 1.00 24.25 H new ATOM 0 HD12 LEU A 46 15.296 0.425 11.477 1.00 24.25 H new ATOM 0 HD13 LEU A 46 15.921 1.107 9.956 1.00 24.25 H new ATOM 0 HD21 LEU A 46 18.883 1.036 10.799 1.00 60.22 H new ATOM 0 HD22 LEU A 46 18.113 2.435 10.014 1.00 60.22 H new ATOM 0 HD23 LEU A 46 18.946 2.636 11.574 1.00 60.22 H new ATOM 648 N TYR A 47 14.226 0.508 13.155 1.00 13.34 N ATOM 649 CA TYR A 47 14.175 -0.743 13.901 1.00 33.45 C ATOM 650 C TYR A 47 14.262 -1.942 12.961 1.00 15.24 C ATOM 651 O TYR A 47 13.552 -2.011 11.957 1.00 33.21 O ATOM 652 CB TYR A 47 12.887 -0.819 14.724 1.00 5.24 C ATOM 653 CG TYR A 47 12.719 0.331 15.692 1.00 22.30 C ATOM 654 CD1 TYR A 47 13.721 0.654 16.599 1.00 41.14 C ATOM 655 CD2 TYR A 47 11.558 1.094 15.699 1.00 42.21 C ATOM 656 CE1 TYR A 47 13.571 1.703 17.485 1.00 60.10 C ATOM 657 CE2 TYR A 47 11.400 2.146 16.581 1.00 61.13 C ATOM 658 CZ TYR A 47 12.409 2.446 17.472 1.00 61.00 C ATOM 659 OH TYR A 47 12.256 3.493 18.352 1.00 24.54 O ATOM 0 H TYR A 47 13.659 0.517 12.307 1.00 13.34 H new ATOM 0 HA TYR A 47 15.031 -0.769 14.575 1.00 33.45 H new ATOM 0 HB2 TYR A 47 12.033 -0.840 14.046 1.00 5.24 H new ATOM 0 HB3 TYR A 47 12.876 -1.756 15.281 1.00 5.24 H new ATOM 0 HD1 TYR A 47 14.633 0.075 16.611 1.00 41.14 H new ATOM 0 HD2 TYR A 47 10.765 0.861 15.003 1.00 42.21 H new ATOM 0 HE1 TYR A 47 14.359 1.940 18.184 1.00 60.10 H new ATOM 0 HE2 TYR A 47 10.492 2.730 16.573 1.00 61.13 H new ATOM 0 HH TYR A 47 11.382 3.913 18.212 1.00 24.54 H new ATOM 669 N LEU A 48 15.136 -2.884 13.295 1.00 62.43 N ATOM 670 CA LEU A 48 15.317 -4.082 12.482 1.00 62.21 C ATOM 671 C LEU A 48 15.258 -5.339 13.344 1.00 65.21 C ATOM 672 O LEU A 48 15.747 -5.354 14.474 1.00 64.02 O ATOM 673 CB LEU A 48 16.653 -4.021 11.739 1.00 20.30 C ATOM 674 CG LEU A 48 16.647 -4.547 10.303 1.00 50.40 C ATOM 675 CD1 LEU A 48 17.978 -4.261 9.625 1.00 70.42 C ATOM 676 CD2 LEU A 48 16.344 -6.038 10.282 1.00 41.32 C ATOM 0 H LEU A 48 15.731 -2.842 14.123 1.00 62.43 H new ATOM 0 HA LEU A 48 14.506 -4.124 11.755 1.00 62.21 H new ATOM 0 HB2 LEU A 48 16.990 -2.985 11.724 1.00 20.30 H new ATOM 0 HB3 LEU A 48 17.389 -4.588 12.309 1.00 20.30 H new ATOM 0 HG LEU A 48 15.863 -4.030 9.750 1.00 50.40 H new ATOM 0 HD11 LEU A 48 17.956 -4.642 8.604 1.00 70.42 H new ATOM 0 HD12 LEU A 48 18.153 -3.185 9.607 1.00 70.42 H new ATOM 0 HD13 LEU A 48 18.780 -4.750 10.177 1.00 70.42 H new ATOM 0 HD21 LEU A 48 16.344 -6.395 9.252 1.00 41.32 H new ATOM 0 HD22 LEU A 48 17.105 -6.572 10.851 1.00 41.32 H new ATOM 0 HD23 LEU A 48 15.366 -6.217 10.728 1.00 41.32 H new ATOM 688 N LYS A 49 14.659 -6.394 12.803 1.00 73.15 N ATOM 689 CA LYS A 49 14.539 -7.658 13.519 1.00 35.04 C ATOM 690 C LYS A 49 14.680 -8.840 12.566 1.00 72.03 C ATOM 691 O LYS A 49 13.873 -9.012 11.652 1.00 23.44 O ATOM 692 CB LYS A 49 13.192 -7.731 14.243 1.00 23.45 C ATOM 693 CG LYS A 49 13.315 -8.032 15.727 1.00 2.12 C ATOM 694 CD LYS A 49 12.137 -8.850 16.230 1.00 45.20 C ATOM 695 CE LYS A 49 12.364 -9.336 17.653 1.00 33.23 C ATOM 696 NZ LYS A 49 13.615 -10.134 17.775 1.00 44.35 N ATOM 0 H LYS A 49 14.248 -6.399 11.869 1.00 73.15 H new ATOM 0 HA LYS A 49 15.343 -7.709 14.253 1.00 35.04 H new ATOM 0 HB2 LYS A 49 12.668 -6.784 14.115 1.00 23.45 H new ATOM 0 HB3 LYS A 49 12.578 -8.500 13.774 1.00 23.45 H new ATOM 0 HG2 LYS A 49 14.242 -8.575 15.913 1.00 2.12 H new ATOM 0 HG3 LYS A 49 13.375 -7.098 16.285 1.00 2.12 H new ATOM 0 HD2 LYS A 49 11.230 -8.246 16.191 1.00 45.20 H new ATOM 0 HD3 LYS A 49 11.979 -9.705 15.573 1.00 45.20 H new ATOM 0 HE2 LYS A 49 12.413 -8.480 18.326 1.00 33.23 H new ATOM 0 HE3 LYS A 49 11.515 -9.942 17.969 1.00 33.23 H new ATOM 0 HZ1 LYS A 49 13.572 -10.719 18.634 1.00 44.35 H new ATOM 0 HZ2 LYS A 49 13.717 -10.749 16.943 1.00 44.35 H new ATOM 0 HZ3 LYS A 49 14.432 -9.493 17.834 1.00 44.35 H new ATOM 710 N ALA A 50 15.709 -9.652 12.785 1.00 12.12 N ATOM 711 CA ALA A 50 15.953 -10.819 11.947 1.00 20.44 C ATOM 712 C ALA A 50 14.772 -11.783 11.990 1.00 13.33 C ATOM 713 O ALA A 50 14.358 -12.225 13.061 1.00 73.41 O ATOM 714 CB ALA A 50 17.228 -11.525 12.384 1.00 22.23 C ATOM 0 H ALA A 50 16.387 -9.523 13.536 1.00 12.12 H new ATOM 0 HA ALA A 50 16.073 -10.478 10.919 1.00 20.44 H new ATOM 0 HB1 ALA A 50 17.398 -12.395 11.750 1.00 22.23 H new ATOM 0 HB2 ALA A 50 18.072 -10.841 12.295 1.00 22.23 H new ATOM 0 HB3 ALA A 50 17.129 -11.846 13.421 1.00 22.23 H new ATOM 720 N GLY A 51 14.232 -12.103 10.818 1.00 30.00 N ATOM 721 CA GLY A 51 13.103 -13.011 10.745 1.00 75.33 C ATOM 722 C GLY A 51 11.776 -12.282 10.661 1.00 4.13 C ATOM 723 O GLY A 51 11.214 -12.124 9.578 1.00 42.13 O ATOM 0 H GLY A 51 14.556 -11.749 9.918 1.00 30.00 H new ATOM 0 HA2 GLY A 51 13.215 -13.656 9.873 1.00 75.33 H new ATOM 0 HA3 GLY A 51 13.104 -13.658 11.622 1.00 75.33 H new ATOM 727 N SER A 52 11.274 -11.837 11.809 1.00 61.32 N ATOM 728 CA SER A 52 10.003 -11.125 11.862 1.00 74.41 C ATOM 729 C SER A 52 10.224 -9.616 11.855 1.00 44.00 C ATOM 730 O SER A 52 11.336 -9.141 11.621 1.00 12.45 O ATOM 731 CB SER A 52 9.218 -11.531 13.111 1.00 23.42 C ATOM 732 OG SER A 52 9.854 -11.062 14.287 1.00 25.54 O ATOM 0 H SER A 52 11.728 -11.957 12.714 1.00 61.32 H new ATOM 0 HA SER A 52 9.428 -11.394 10.976 1.00 74.41 H new ATOM 0 HB2 SER A 52 8.207 -11.129 13.056 1.00 23.42 H new ATOM 0 HB3 SER A 52 9.128 -12.617 13.151 1.00 23.42 H new ATOM 0 HG SER A 52 9.332 -11.333 15.071 1.00 25.54 H new ATOM 738 N LYS A 53 9.158 -8.867 12.113 1.00 51.52 N ATOM 739 CA LYS A 53 9.233 -7.411 12.138 1.00 3.42 C ATOM 740 C LYS A 53 9.365 -6.898 13.569 1.00 44.44 C ATOM 741 O LYS A 53 8.666 -7.340 14.480 1.00 74.54 O ATOM 742 CB LYS A 53 7.992 -6.804 11.480 1.00 43.41 C ATOM 743 CG LYS A 53 6.799 -6.698 12.413 1.00 12.25 C ATOM 744 CD LYS A 53 6.754 -5.349 13.111 1.00 43.30 C ATOM 745 CE LYS A 53 5.989 -4.322 12.290 1.00 3.21 C ATOM 746 NZ LYS A 53 6.699 -3.982 11.026 1.00 71.54 N ATOM 0 H LYS A 53 8.231 -9.244 12.308 1.00 51.52 H new ATOM 0 HA LYS A 53 10.118 -7.108 11.578 1.00 3.42 H new ATOM 0 HB2 LYS A 53 8.239 -5.811 11.105 1.00 43.41 H new ATOM 0 HB3 LYS A 53 7.715 -7.410 10.617 1.00 43.41 H new ATOM 0 HG2 LYS A 53 5.879 -6.847 11.847 1.00 12.25 H new ATOM 0 HG3 LYS A 53 6.847 -7.492 13.158 1.00 12.25 H new ATOM 0 HD2 LYS A 53 6.283 -5.459 14.088 1.00 43.30 H new ATOM 0 HD3 LYS A 53 7.770 -4.994 13.285 1.00 43.30 H new ATOM 0 HE2 LYS A 53 4.997 -4.709 12.057 1.00 3.21 H new ATOM 0 HE3 LYS A 53 5.847 -3.417 12.881 1.00 3.21 H new ATOM 0 HZ1 LYS A 53 6.427 -3.026 10.721 1.00 71.54 H new ATOM 0 HZ2 LYS A 53 7.726 -4.015 11.185 1.00 71.54 H new ATOM 0 HZ3 LYS A 53 6.441 -4.667 10.288 1.00 71.54 H new ATOM 760 N PRO A 54 10.283 -5.940 13.773 1.00 74.35 N ATOM 761 CA PRO A 54 10.526 -5.345 15.090 1.00 50.02 C ATOM 762 C PRO A 54 9.367 -4.470 15.554 1.00 53.34 C ATOM 763 O PRO A 54 8.761 -3.750 14.759 1.00 44.43 O ATOM 764 CB PRO A 54 11.781 -4.497 14.869 1.00 22.13 C ATOM 765 CG PRO A 54 11.771 -4.176 13.415 1.00 70.34 C ATOM 766 CD PRO A 54 11.152 -5.365 12.733 1.00 62.13 C ATOM 0 HA PRO A 54 10.637 -6.103 15.865 1.00 50.02 H new ATOM 0 HB2 PRO A 54 11.758 -3.591 15.474 1.00 22.13 H new ATOM 0 HB3 PRO A 54 12.682 -5.044 15.147 1.00 22.13 H new ATOM 0 HG2 PRO A 54 11.196 -3.271 13.219 1.00 70.34 H new ATOM 0 HG3 PRO A 54 12.782 -3.998 13.048 1.00 70.34 H new ATOM 0 HD2 PRO A 54 10.583 -5.071 11.851 1.00 62.13 H new ATOM 0 HD3 PRO A 54 11.908 -6.077 12.402 1.00 62.13 H new ATOM 774 N THR A 55 9.061 -4.536 16.846 1.00 44.41 N ATOM 775 CA THR A 55 7.974 -3.750 17.415 1.00 1.34 C ATOM 776 C THR A 55 8.511 -2.577 18.229 1.00 75.25 C ATOM 777 O THR A 55 9.722 -2.400 18.358 1.00 44.12 O ATOM 778 CB THR A 55 7.069 -4.612 18.315 1.00 71.20 C ATOM 779 OG1 THR A 55 7.658 -4.752 19.613 1.00 50.23 O ATOM 780 CG2 THR A 55 6.849 -5.987 17.702 1.00 53.10 C ATOM 0 H THR A 55 9.551 -5.126 17.518 1.00 44.41 H new ATOM 0 HA THR A 55 7.387 -3.370 16.579 1.00 1.34 H new ATOM 0 HB THR A 55 6.104 -4.113 18.406 1.00 71.20 H new ATOM 0 HG1 THR A 55 7.075 -5.300 20.179 1.00 50.23 H new ATOM 0 HG21 THR A 55 6.207 -6.578 18.355 1.00 53.10 H new ATOM 0 HG22 THR A 55 6.374 -5.879 16.727 1.00 53.10 H new ATOM 0 HG23 THR A 55 7.809 -6.491 17.584 1.00 53.10 H new ATOM 788 N THR A 56 7.601 -1.778 18.777 1.00 53.43 N ATOM 789 CA THR A 56 7.983 -0.621 19.577 1.00 34.34 C ATOM 790 C THR A 56 8.744 -1.046 20.828 1.00 50.30 C ATOM 791 O THR A 56 9.386 -0.225 21.484 1.00 73.21 O ATOM 792 CB THR A 56 6.751 0.204 19.995 1.00 10.03 C ATOM 793 OG1 THR A 56 5.830 -0.621 20.718 1.00 63.34 O ATOM 794 CG2 THR A 56 6.059 0.799 18.778 1.00 65.42 C ATOM 0 H THR A 56 6.594 -1.911 18.681 1.00 53.43 H new ATOM 0 HA THR A 56 8.630 -0.004 18.953 1.00 34.34 H new ATOM 0 HB THR A 56 7.088 1.019 20.636 1.00 10.03 H new ATOM 0 HG1 THR A 56 5.051 -0.088 20.981 1.00 63.34 H new ATOM 0 HG21 THR A 56 5.192 1.377 19.099 1.00 65.42 H new ATOM 0 HG22 THR A 56 6.753 1.450 18.247 1.00 65.42 H new ATOM 0 HG23 THR A 56 5.735 -0.003 18.115 1.00 65.42 H new ATOM 802 N SER A 57 8.669 -2.332 21.153 1.00 61.43 N ATOM 803 CA SER A 57 9.349 -2.865 22.327 1.00 23.23 C ATOM 804 C SER A 57 10.379 -3.917 21.928 1.00 64.41 C ATOM 805 O SER A 57 11.365 -4.136 22.632 1.00 10.23 O ATOM 806 CB SER A 57 8.335 -3.471 23.299 1.00 31.31 C ATOM 807 OG SER A 57 8.963 -3.881 24.502 1.00 73.45 O ATOM 0 H SER A 57 8.144 -3.025 20.619 1.00 61.43 H new ATOM 0 HA SER A 57 9.868 -2.043 22.820 1.00 23.23 H new ATOM 0 HB2 SER A 57 7.558 -2.740 23.522 1.00 31.31 H new ATOM 0 HB3 SER A 57 7.844 -4.325 22.832 1.00 31.31 H new ATOM 0 HG SER A 57 8.293 -4.263 25.107 1.00 73.45 H new ATOM 813 N SER A 58 10.143 -4.567 20.792 1.00 2.53 N ATOM 814 CA SER A 58 11.048 -5.599 20.300 1.00 55.13 C ATOM 815 C SER A 58 11.915 -5.064 19.164 1.00 24.35 C ATOM 816 O SER A 58 11.407 -4.529 18.179 1.00 21.04 O ATOM 817 CB SER A 58 10.254 -6.816 19.820 1.00 13.33 C ATOM 818 OG SER A 58 10.631 -7.983 20.530 1.00 44.23 O ATOM 0 H SER A 58 9.333 -4.397 20.196 1.00 2.53 H new ATOM 0 HA SER A 58 11.699 -5.899 21.121 1.00 55.13 H new ATOM 0 HB2 SER A 58 9.188 -6.634 19.953 1.00 13.33 H new ATOM 0 HB3 SER A 58 10.421 -6.966 18.753 1.00 13.33 H new ATOM 0 HG SER A 58 10.108 -8.746 20.206 1.00 44.23 H new ATOM 824 N TRP A 59 13.227 -5.213 19.311 1.00 71.53 N ATOM 825 CA TRP A 59 14.167 -4.746 18.298 1.00 13.21 C ATOM 826 C TRP A 59 15.437 -5.590 18.303 1.00 54.31 C ATOM 827 O TRP A 59 15.801 -6.173 19.324 1.00 63.12 O ATOM 828 CB TRP A 59 14.516 -3.276 18.537 1.00 55.23 C ATOM 829 CG TRP A 59 14.038 -2.759 19.860 1.00 74.11 C ATOM 830 CD1 TRP A 59 12.884 -2.070 20.102 1.00 10.53 C ATOM 831 CD2 TRP A 59 14.702 -2.889 21.121 1.00 22.34 C ATOM 832 NE1 TRP A 59 12.791 -1.763 21.439 1.00 64.24 N ATOM 833 CE2 TRP A 59 13.894 -2.256 22.085 1.00 12.34 C ATOM 834 CE3 TRP A 59 15.900 -3.481 21.531 1.00 61.12 C ATOM 835 CZ2 TRP A 59 14.247 -2.198 23.431 1.00 43.42 C ATOM 836 CZ3 TRP A 59 16.250 -3.422 22.866 1.00 33.24 C ATOM 837 CH2 TRP A 59 15.426 -2.785 23.804 1.00 74.23 C ATOM 0 H TRP A 59 13.664 -5.653 20.121 1.00 71.53 H new ATOM 0 HA TRP A 59 13.691 -4.846 17.322 1.00 13.21 H new ATOM 0 HB2 TRP A 59 15.597 -3.152 18.476 1.00 55.23 H new ATOM 0 HB3 TRP A 59 14.081 -2.673 17.740 1.00 55.23 H new ATOM 0 HD1 TRP A 59 12.152 -1.805 19.353 1.00 10.53 H new ATOM 0 HE1 TRP A 59 12.026 -1.252 21.878 1.00 64.24 H new ATOM 0 HE3 TRP A 59 16.541 -3.976 20.816 1.00 61.12 H new ATOM 0 HZ2 TRP A 59 13.613 -1.707 24.155 1.00 43.42 H new ATOM 0 HZ3 TRP A 59 17.175 -3.875 23.193 1.00 33.24 H new ATOM 0 HH2 TRP A 59 15.727 -2.757 24.841 1.00 74.23 H new ATOM 848 N ASP A 60 16.106 -5.650 17.157 1.00 51.00 N ATOM 849 CA ASP A 60 17.337 -6.422 17.030 1.00 35.01 C ATOM 850 C ASP A 60 18.514 -5.515 16.685 1.00 73.32 C ATOM 851 O ASP A 60 19.605 -5.661 17.237 1.00 11.21 O ATOM 852 CB ASP A 60 17.178 -7.503 15.959 1.00 12.53 C ATOM 853 CG ASP A 60 18.219 -8.598 16.083 1.00 14.13 C ATOM 854 OD1 ASP A 60 19.374 -8.368 15.668 1.00 35.03 O ATOM 855 OD2 ASP A 60 17.878 -9.685 16.595 1.00 71.44 O ATOM 0 H ASP A 60 15.817 -5.174 16.303 1.00 51.00 H new ATOM 0 HA ASP A 60 17.539 -6.899 17.989 1.00 35.01 H new ATOM 0 HB2 ASP A 60 16.183 -7.941 16.034 1.00 12.53 H new ATOM 0 HB3 ASP A 60 17.251 -7.046 14.972 1.00 12.53 H new ATOM 860 N CYS A 61 18.285 -4.581 15.768 1.00 23.33 N ATOM 861 CA CYS A 61 19.328 -3.652 15.348 1.00 53.33 C ATOM 862 C CYS A 61 18.944 -2.215 15.686 1.00 53.12 C ATOM 863 O CYS A 61 17.917 -1.713 15.229 1.00 13.41 O ATOM 864 CB CYS A 61 19.583 -3.784 13.846 1.00 75.44 C ATOM 865 SG CYS A 61 19.983 -5.464 13.310 1.00 21.43 S ATOM 0 H CYS A 61 17.388 -4.447 15.302 1.00 23.33 H new ATOM 0 HA CYS A 61 20.241 -3.902 15.888 1.00 53.33 H new ATOM 0 HB2 CYS A 61 18.699 -3.443 13.307 1.00 75.44 H new ATOM 0 HB3 CYS A 61 20.402 -3.121 13.568 1.00 75.44 H new ATOM 0 HG CYS A 61 20.179 -5.474 12.025 1.00 21.43 H new ATOM 871 N ARG A 62 19.774 -1.559 16.490 1.00 64.51 N ATOM 872 CA ARG A 62 19.520 -0.181 16.892 1.00 63.32 C ATOM 873 C ARG A 62 20.630 0.332 17.805 1.00 51.34 C ATOM 874 O ARG A 62 20.976 -0.287 18.811 1.00 12.21 O ATOM 875 CB ARG A 62 18.170 -0.076 17.603 1.00 1.23 C ATOM 876 CG ARG A 62 18.165 -0.689 18.994 1.00 21.10 C ATOM 877 CD ARG A 62 16.781 -0.636 19.621 1.00 11.44 C ATOM 878 NE ARG A 62 16.823 -0.159 21.001 1.00 24.12 N ATOM 879 CZ ARG A 62 15.786 0.392 21.621 1.00 53.44 C ATOM 880 NH1 ARG A 62 14.630 0.536 20.986 1.00 23.42 N ATOM 881 NH2 ARG A 62 15.902 0.801 22.877 1.00 4.55 N ATOM 0 H ARG A 62 20.629 -1.960 16.876 1.00 64.51 H new ATOM 0 HA ARG A 62 19.498 0.436 15.994 1.00 63.32 H new ATOM 0 HB2 ARG A 62 17.889 0.974 17.677 1.00 1.23 H new ATOM 0 HB3 ARG A 62 17.410 -0.568 16.996 1.00 1.23 H new ATOM 0 HG2 ARG A 62 18.501 -1.724 18.938 1.00 21.10 H new ATOM 0 HG3 ARG A 62 18.874 -0.158 19.629 1.00 21.10 H new ATOM 0 HD2 ARG A 62 16.140 0.019 19.030 1.00 11.44 H new ATOM 0 HD3 ARG A 62 16.333 -1.629 19.594 1.00 11.44 H new ATOM 0 HE ARG A 62 17.698 -0.254 21.517 1.00 24.12 H new ATOM 0 HH11 ARG A 62 14.537 0.223 20.020 1.00 23.42 H new ATOM 0 HH12 ARG A 62 13.835 0.959 21.464 1.00 23.42 H new ATOM 0 HH21 ARG A 62 16.789 0.693 23.369 1.00 4.55 H new ATOM 0 HH22 ARG A 62 15.104 1.224 23.351 1.00 4.55 H new ATOM 895 N PRO A 63 21.202 1.491 17.446 1.00 5.12 N ATOM 896 CA PRO A 63 22.281 2.113 18.219 1.00 2.54 C ATOM 897 C PRO A 63 21.796 2.655 19.560 1.00 71.22 C ATOM 898 O PRO A 63 22.572 3.224 20.328 1.00 32.21 O ATOM 899 CB PRO A 63 22.749 3.259 17.318 1.00 73.22 C ATOM 900 CG PRO A 63 21.565 3.583 16.473 1.00 1.33 C ATOM 901 CD PRO A 63 20.840 2.283 16.259 1.00 44.31 C ATOM 0 HA PRO A 63 23.067 1.400 18.468 1.00 2.54 H new ATOM 0 HB2 PRO A 63 23.064 4.121 17.906 1.00 73.22 H new ATOM 0 HB3 PRO A 63 23.601 2.960 16.708 1.00 73.22 H new ATOM 0 HG2 PRO A 63 20.922 4.312 16.966 1.00 1.33 H new ATOM 0 HG3 PRO A 63 21.872 4.020 15.523 1.00 1.33 H new ATOM 0 HD2 PRO A 63 19.762 2.431 16.188 1.00 44.31 H new ATOM 0 HD3 PRO A 63 21.156 1.794 15.338 1.00 44.31 H new ATOM 982 N ASN A 68 16.246 10.217 13.469 1.00 41.41 N ATOM 983 CA ASN A 68 17.272 9.962 12.464 1.00 1.52 C ATOM 984 C ASN A 68 18.642 9.797 13.115 1.00 32.14 C ATOM 985 O ASN A 68 18.790 9.970 14.324 1.00 24.43 O ATOM 986 CB ASN A 68 17.313 11.104 11.446 1.00 5.04 C ATOM 987 CG ASN A 68 18.178 12.261 11.910 1.00 73.22 C ATOM 988 OD1 ASN A 68 18.215 12.586 13.097 1.00 71.24 O ATOM 989 ND2 ASN A 68 18.878 12.889 10.972 1.00 31.32 N ATOM 0 HA ASN A 68 17.019 9.035 11.950 1.00 1.52 H new ATOM 0 HB2 ASN A 68 17.693 10.727 10.497 1.00 5.04 H new ATOM 0 HB3 ASN A 68 16.300 11.462 11.264 1.00 5.04 H new ATOM 0 HD21 ASN A 68 19.477 13.675 11.223 1.00 31.32 H new ATOM 0 HD22 ASN A 68 18.816 12.585 10.000 1.00 31.32 H new ATOM 996 N ASN A 69 19.640 9.462 12.304 1.00 31.44 N ATOM 997 CA ASN A 69 20.998 9.273 12.801 1.00 30.42 C ATOM 998 C ASN A 69 21.062 8.101 13.777 1.00 43.33 C ATOM 999 O ASN A 69 22.032 7.953 14.520 1.00 72.23 O ATOM 1000 CB ASN A 69 21.495 10.548 13.485 1.00 42.03 C ATOM 1001 CG ASN A 69 22.737 11.113 12.822 1.00 73.13 C ATOM 1002 OD1 ASN A 69 23.636 10.370 12.428 1.00 40.22 O ATOM 1003 ND2 ASN A 69 22.791 12.434 12.696 1.00 71.21 N ATOM 0 H ASN A 69 19.534 9.316 11.300 1.00 31.44 H new ATOM 0 HA ASN A 69 21.642 9.050 11.950 1.00 30.42 H new ATOM 0 HB2 ASN A 69 20.704 11.298 13.468 1.00 42.03 H new ATOM 0 HB3 ASN A 69 21.710 10.335 14.532 1.00 42.03 H new ATOM 0 HD21 ASN A 69 23.601 12.872 12.258 1.00 71.21 H new ATOM 0 HD22 ASN A 69 22.022 13.011 13.037 1.00 71.21 H new ATOM 1010 N GLU A 70 20.023 7.273 13.767 1.00 31.53 N ATOM 1011 CA GLU A 70 19.962 6.115 14.652 1.00 60.35 C ATOM 1012 C GLU A 70 19.825 4.824 13.849 1.00 21.11 C ATOM 1013 O GLU A 70 18.723 4.307 13.668 1.00 53.35 O ATOM 1014 CB GLU A 70 18.789 6.250 15.625 1.00 23.31 C ATOM 1015 CG GLU A 70 18.564 5.015 16.481 1.00 33.12 C ATOM 1016 CD GLU A 70 17.113 4.844 16.887 1.00 32.43 C ATOM 1017 OE1 GLU A 70 16.354 5.832 16.806 1.00 1.42 O ATOM 1018 OE2 GLU A 70 16.736 3.722 17.286 1.00 21.01 O ATOM 0 H GLU A 70 19.213 7.382 13.157 1.00 31.53 H new ATOM 0 HA GLU A 70 20.892 6.073 15.219 1.00 60.35 H new ATOM 0 HB2 GLU A 70 18.965 7.106 16.276 1.00 23.31 H new ATOM 0 HB3 GLU A 70 17.881 6.460 15.060 1.00 23.31 H new ATOM 0 HG2 GLU A 70 18.890 4.132 15.931 1.00 33.12 H new ATOM 0 HG3 GLU A 70 19.183 5.080 17.376 1.00 33.12 H new ATOM 1025 N SER A 71 20.953 4.309 13.371 1.00 63.03 N ATOM 1026 CA SER A 71 20.960 3.081 12.584 1.00 51.32 C ATOM 1027 C SER A 71 22.047 2.129 13.072 1.00 31.23 C ATOM 1028 O SER A 71 22.891 2.500 13.889 1.00 65.54 O ATOM 1029 CB SER A 71 21.174 3.401 11.103 1.00 34.20 C ATOM 1030 OG SER A 71 20.480 4.579 10.730 1.00 4.23 O ATOM 0 H SER A 71 21.874 4.723 13.515 1.00 63.03 H new ATOM 0 HA SER A 71 19.993 2.594 12.708 1.00 51.32 H new ATOM 0 HB2 SER A 71 22.239 3.524 10.905 1.00 34.20 H new ATOM 0 HB3 SER A 71 20.831 2.565 10.494 1.00 34.20 H new ATOM 0 HG SER A 71 20.919 5.358 11.131 1.00 4.23 H new ATOM 1036 N CYS A 72 22.019 0.901 12.567 1.00 32.43 N ATOM 1037 CA CYS A 72 23.001 -0.107 12.952 1.00 11.00 C ATOM 1038 C CYS A 72 23.787 -0.591 11.738 1.00 23.11 C ATOM 1039 O CYS A 72 23.291 -0.562 10.612 1.00 34.02 O ATOM 1040 CB CYS A 72 22.309 -1.290 13.632 1.00 45.33 C ATOM 1041 SG CYS A 72 23.261 -2.024 14.982 1.00 21.52 S ATOM 0 H CYS A 72 21.327 0.579 11.890 1.00 32.43 H new ATOM 0 HA CYS A 72 23.698 0.350 13.655 1.00 11.00 H new ATOM 0 HB2 CYS A 72 21.345 -0.960 14.019 1.00 45.33 H new ATOM 0 HB3 CYS A 72 22.107 -2.057 12.885 1.00 45.33 H new ATOM 0 HG CYS A 72 22.593 -3.014 15.495 1.00 21.52 H new ATOM 1047 N SER A 73 25.018 -1.034 11.975 1.00 32.40 N ATOM 1048 CA SER A 73 25.876 -1.520 10.900 1.00 14.33 C ATOM 1049 C SER A 73 26.437 -2.898 11.234 1.00 24.31 C ATOM 1050 O SER A 73 27.292 -3.038 12.109 1.00 44.02 O ATOM 1051 CB SER A 73 27.021 -0.537 10.650 1.00 11.30 C ATOM 1052 OG SER A 73 27.749 -0.288 11.840 1.00 15.43 O ATOM 0 H SER A 73 25.443 -1.066 12.901 1.00 32.40 H new ATOM 0 HA SER A 73 25.273 -1.602 9.996 1.00 14.33 H new ATOM 0 HB2 SER A 73 27.689 -0.939 9.888 1.00 11.30 H new ATOM 0 HB3 SER A 73 26.622 0.400 10.262 1.00 11.30 H new ATOM 0 HG SER A 73 27.861 -1.126 12.336 1.00 15.43 H new ATOM 1058 N VAL A 74 25.950 -3.915 10.530 1.00 20.33 N ATOM 1059 CA VAL A 74 26.403 -5.284 10.750 1.00 40.41 C ATOM 1060 C VAL A 74 26.309 -6.106 9.470 1.00 53.24 C ATOM 1061 O VAL A 74 25.483 -5.827 8.600 1.00 63.00 O ATOM 1062 CB VAL A 74 25.582 -5.976 11.854 1.00 71.44 C ATOM 1063 CG1 VAL A 74 26.184 -7.330 12.197 1.00 22.14 C ATOM 1064 CG2 VAL A 74 25.497 -5.092 13.089 1.00 62.25 C ATOM 0 H VAL A 74 25.242 -3.817 9.802 1.00 20.33 H new ATOM 0 HA VAL A 74 27.445 -5.226 11.065 1.00 40.41 H new ATOM 0 HB VAL A 74 24.570 -6.139 11.483 1.00 71.44 H new ATOM 0 HG11 VAL A 74 25.591 -7.804 12.979 1.00 22.14 H new ATOM 0 HG12 VAL A 74 26.187 -7.962 11.309 1.00 22.14 H new ATOM 0 HG13 VAL A 74 27.207 -7.195 12.549 1.00 22.14 H new ATOM 0 HG21 VAL A 74 24.913 -5.597 13.859 1.00 62.25 H new ATOM 0 HG22 VAL A 74 26.501 -4.895 13.466 1.00 62.25 H new ATOM 0 HG23 VAL A 74 25.016 -4.149 12.829 1.00 62.25 H new ATOM 1074 N SER A 75 27.160 -7.121 9.361 1.00 74.22 N ATOM 1075 CA SER A 75 27.175 -7.983 8.185 1.00 72.13 C ATOM 1076 C SER A 75 26.025 -8.984 8.230 1.00 34.52 C ATOM 1077 O SER A 75 26.075 -9.971 8.964 1.00 13.01 O ATOM 1078 CB SER A 75 28.509 -8.726 8.088 1.00 51.33 C ATOM 1079 OG SER A 75 28.811 -9.058 6.744 1.00 71.13 O ATOM 0 H SER A 75 27.848 -7.367 10.073 1.00 74.22 H new ATOM 0 HA SER A 75 27.052 -7.354 7.303 1.00 72.13 H new ATOM 0 HB2 SER A 75 29.305 -8.106 8.500 1.00 51.33 H new ATOM 0 HB3 SER A 75 28.468 -9.634 8.690 1.00 51.33 H new ATOM 0 HG SER A 75 29.748 -8.841 6.556 1.00 71.13 H new ATOM 1085 N ALA A 76 24.989 -8.722 7.440 1.00 72.42 N ATOM 1086 CA ALA A 76 23.826 -9.600 7.387 1.00 25.55 C ATOM 1087 C ALA A 76 24.075 -10.785 6.460 1.00 54.14 C ATOM 1088 O ALA A 76 24.581 -10.621 5.350 1.00 5.14 O ATOM 1089 CB ALA A 76 22.598 -8.824 6.938 1.00 50.42 C ATOM 0 H ALA A 76 24.931 -7.908 6.828 1.00 72.42 H new ATOM 0 HA ALA A 76 23.649 -9.988 8.390 1.00 25.55 H new ATOM 0 HB1 ALA A 76 21.738 -9.493 6.903 1.00 50.42 H new ATOM 0 HB2 ALA A 76 22.401 -8.016 7.642 1.00 50.42 H new ATOM 0 HB3 ALA A 76 22.774 -8.407 5.946 1.00 50.42 H new ATOM 1095 N ALA A 77 23.715 -11.978 6.922 1.00 53.05 N ATOM 1096 CA ALA A 77 23.897 -13.190 6.132 1.00 4.41 C ATOM 1097 C ALA A 77 22.648 -13.508 5.318 1.00 51.11 C ATOM 1098 O ALA A 77 21.519 -13.373 5.790 1.00 11.41 O ATOM 1099 CB ALA A 77 24.253 -14.360 7.037 1.00 73.34 C ATOM 0 H ALA A 77 23.296 -12.131 7.839 1.00 53.05 H new ATOM 0 HA ALA A 77 24.718 -13.021 5.435 1.00 4.41 H new ATOM 0 HB1 ALA A 77 24.386 -15.259 6.435 1.00 73.34 H new ATOM 0 HB2 ALA A 77 25.178 -14.140 7.569 1.00 73.34 H new ATOM 0 HB3 ALA A 77 23.450 -14.521 7.756 1.00 73.34 H new ATOM 1105 N PRO A 78 22.851 -13.941 4.065 1.00 45.42 N ATOM 1106 CA PRO A 78 21.753 -14.287 3.159 1.00 55.25 C ATOM 1107 C PRO A 78 21.029 -15.559 3.585 1.00 73.53 C ATOM 1108 O PRO A 78 21.634 -16.626 3.685 1.00 42.34 O ATOM 1109 CB PRO A 78 22.454 -14.495 1.814 1.00 72.30 C ATOM 1110 CG PRO A 78 23.851 -14.871 2.170 1.00 50.44 C ATOM 1111 CD PRO A 78 24.170 -14.126 3.436 1.00 2.52 C ATOM 0 HA PRO A 78 20.983 -13.515 3.139 1.00 55.25 H new ATOM 0 HB2 PRO A 78 21.969 -15.279 1.232 1.00 72.30 H new ATOM 0 HB3 PRO A 78 22.430 -13.588 1.210 1.00 72.30 H new ATOM 0 HG2 PRO A 78 23.940 -15.947 2.318 1.00 50.44 H new ATOM 0 HG3 PRO A 78 24.543 -14.600 1.373 1.00 50.44 H new ATOM 0 HD2 PRO A 78 24.845 -14.693 4.077 1.00 2.52 H new ATOM 0 HD3 PRO A 78 24.654 -13.171 3.229 1.00 2.52 H new ATOM 1119 N GLY A 79 19.728 -15.440 3.835 1.00 62.03 N ATOM 1120 CA GLY A 79 18.943 -16.589 4.247 1.00 65.00 C ATOM 1121 C GLY A 79 17.847 -16.221 5.227 1.00 52.25 C ATOM 1122 O GLY A 79 16.888 -16.972 5.409 1.00 21.10 O ATOM 0 H GLY A 79 19.204 -14.568 3.759 1.00 62.03 H new ATOM 0 HA2 GLY A 79 18.498 -17.056 3.368 1.00 65.00 H new ATOM 0 HA3 GLY A 79 19.600 -17.330 4.703 1.00 65.00 H new ATOM 1126 N THR A 80 17.987 -15.061 5.861 1.00 21.12 N ATOM 1127 CA THR A 80 17.002 -14.596 6.830 1.00 43.24 C ATOM 1128 C THR A 80 16.341 -13.304 6.364 1.00 73.04 C ATOM 1129 O THR A 80 17.014 -12.374 5.918 1.00 23.21 O ATOM 1130 CB THR A 80 17.640 -14.363 8.212 1.00 5.30 C ATOM 1131 OG1 THR A 80 18.421 -15.502 8.590 1.00 72.31 O ATOM 1132 CG2 THR A 80 16.573 -14.101 9.264 1.00 71.52 C ATOM 0 H THR A 80 18.773 -14.426 5.721 1.00 21.12 H new ATOM 0 HA THR A 80 16.247 -15.378 6.914 1.00 43.24 H new ATOM 0 HB THR A 80 18.285 -13.487 8.146 1.00 5.30 H new ATOM 0 HG1 THR A 80 18.825 -15.345 9.469 1.00 72.31 H new ATOM 0 HG21 THR A 80 17.048 -13.939 10.232 1.00 71.52 H new ATOM 0 HG22 THR A 80 16.000 -13.215 8.989 1.00 71.52 H new ATOM 0 HG23 THR A 80 15.905 -14.960 9.327 1.00 71.52 H new ATOM 1140 N THR A 81 15.016 -13.251 6.469 1.00 25.04 N ATOM 1141 CA THR A 81 14.263 -12.073 6.058 1.00 4.13 C ATOM 1142 C THR A 81 14.432 -10.936 7.059 1.00 10.33 C ATOM 1143 O THR A 81 14.288 -11.132 8.266 1.00 3.23 O ATOM 1144 CB THR A 81 12.764 -12.390 5.906 1.00 13.32 C ATOM 1145 OG1 THR A 81 12.590 -13.749 5.489 1.00 12.53 O ATOM 1146 CG2 THR A 81 12.113 -11.457 4.896 1.00 43.22 C ATOM 0 H THR A 81 14.443 -14.011 6.835 1.00 25.04 H new ATOM 0 HA THR A 81 14.661 -11.764 5.091 1.00 4.13 H new ATOM 0 HB THR A 81 12.285 -12.243 6.874 1.00 13.32 H new ATOM 0 HG1 THR A 81 11.634 -13.943 5.396 1.00 12.53 H new ATOM 0 HG21 THR A 81 11.054 -11.700 4.806 1.00 43.22 H new ATOM 0 HG22 THR A 81 12.221 -10.425 5.231 1.00 43.22 H new ATOM 0 HG23 THR A 81 12.597 -11.576 3.926 1.00 43.22 H new ATOM 1154 N TYR A 82 14.737 -9.747 6.551 1.00 14.11 N ATOM 1155 CA TYR A 82 14.926 -8.578 7.402 1.00 44.03 C ATOM 1156 C TYR A 82 13.760 -7.605 7.258 1.00 44.40 C ATOM 1157 O TYR A 82 13.277 -7.355 6.153 1.00 3.21 O ATOM 1158 CB TYR A 82 16.239 -7.874 7.052 1.00 73.32 C ATOM 1159 CG TYR A 82 17.470 -8.673 7.416 1.00 12.12 C ATOM 1160 CD1 TYR A 82 17.725 -9.031 8.734 1.00 4.51 C ATOM 1161 CD2 TYR A 82 18.377 -9.071 6.442 1.00 42.32 C ATOM 1162 CE1 TYR A 82 18.849 -9.759 9.071 1.00 23.44 C ATOM 1163 CE2 TYR A 82 19.503 -9.801 6.770 1.00 60.13 C ATOM 1164 CZ TYR A 82 19.735 -10.142 8.086 1.00 71.52 C ATOM 1165 OH TYR A 82 20.855 -10.870 8.418 1.00 50.15 O ATOM 0 H TYR A 82 14.859 -9.567 5.554 1.00 14.11 H new ATOM 0 HA TYR A 82 14.967 -8.916 8.437 1.00 44.03 H new ATOM 0 HB2 TYR A 82 16.255 -7.664 5.982 1.00 73.32 H new ATOM 0 HB3 TYR A 82 16.275 -6.913 7.566 1.00 73.32 H new ATOM 0 HD1 TYR A 82 17.032 -8.735 9.508 1.00 4.51 H new ATOM 0 HD2 TYR A 82 18.199 -8.805 5.411 1.00 42.32 H new ATOM 0 HE1 TYR A 82 19.033 -10.027 10.101 1.00 23.44 H new ATOM 0 HE2 TYR A 82 20.198 -10.103 6.000 1.00 60.13 H new ATOM 0 HH TYR A 82 21.103 -11.449 7.667 1.00 50.15 H new ATOM 1175 N HIS A 83 13.313 -7.057 8.384 1.00 61.04 N ATOM 1176 CA HIS A 83 12.204 -6.109 8.385 1.00 63.42 C ATOM 1177 C HIS A 83 12.653 -4.748 8.907 1.00 25.25 C ATOM 1178 O HIS A 83 13.665 -4.641 9.602 1.00 74.14 O ATOM 1179 CB HIS A 83 11.052 -6.641 9.238 1.00 61.24 C ATOM 1180 CG HIS A 83 10.189 -7.637 8.525 1.00 5.11 C ATOM 1181 ND1 HIS A 83 10.641 -8.879 8.133 1.00 70.33 N ATOM 1182 CD2 HIS A 83 8.895 -7.569 8.136 1.00 52.40 C ATOM 1183 CE1 HIS A 83 9.662 -9.531 7.531 1.00 30.44 C ATOM 1184 NE2 HIS A 83 8.591 -8.758 7.521 1.00 62.12 N ATOM 0 H HIS A 83 13.701 -7.253 9.307 1.00 61.04 H new ATOM 0 HA HIS A 83 11.860 -5.989 7.358 1.00 63.42 H new ATOM 0 HB2 HIS A 83 11.460 -7.103 10.137 1.00 61.24 H new ATOM 0 HB3 HIS A 83 10.434 -5.804 9.563 1.00 61.24 H new ATOM 0 HD2 HIS A 83 8.226 -6.734 8.282 1.00 52.40 H new ATOM 0 HE1 HIS A 83 9.727 -10.527 7.117 1.00 30.44 H new ATOM 0 HE2 HIS A 83 7.685 -9.004 7.121 1.00 62.12 H new ATOM 1192 N VAL A 84 11.896 -3.710 8.569 1.00 54.03 N ATOM 1193 CA VAL A 84 12.215 -2.356 9.004 1.00 45.31 C ATOM 1194 C VAL A 84 10.962 -1.611 9.450 1.00 70.41 C ATOM 1195 O VAL A 84 9.918 -1.691 8.803 1.00 12.34 O ATOM 1196 CB VAL A 84 12.904 -1.554 7.883 1.00 11.13 C ATOM 1197 CG1 VAL A 84 12.850 -0.064 8.183 1.00 42.55 C ATOM 1198 CG2 VAL A 84 14.341 -2.018 7.702 1.00 21.32 C ATOM 0 H VAL A 84 11.056 -3.781 7.994 1.00 54.03 H new ATOM 0 HA VAL A 84 12.898 -2.448 9.848 1.00 45.31 H new ATOM 0 HB VAL A 84 12.369 -1.732 6.950 1.00 11.13 H new ATOM 0 HG11 VAL A 84 13.341 0.487 7.381 1.00 42.55 H new ATOM 0 HG12 VAL A 84 11.810 0.255 8.258 1.00 42.55 H new ATOM 0 HG13 VAL A 84 13.360 0.136 9.125 1.00 42.55 H new ATOM 0 HG21 VAL A 84 14.812 -1.441 6.906 1.00 21.32 H new ATOM 0 HG22 VAL A 84 14.891 -1.871 8.632 1.00 21.32 H new ATOM 0 HG23 VAL A 84 14.351 -3.076 7.438 1.00 21.32 H new ATOM 1208 N MET A 85 11.073 -0.888 10.559 1.00 3.30 N ATOM 1209 CA MET A 85 9.949 -0.127 11.091 1.00 75.11 C ATOM 1210 C MET A 85 10.357 1.312 11.388 1.00 43.23 C ATOM 1211 O MET A 85 11.283 1.557 12.161 1.00 25.14 O ATOM 1212 CB MET A 85 9.412 -0.790 12.361 1.00 4.44 C ATOM 1213 CG MET A 85 8.091 -0.209 12.838 1.00 20.13 C ATOM 1214 SD MET A 85 6.683 -0.814 11.888 1.00 43.12 S ATOM 1215 CE MET A 85 5.663 0.657 11.820 1.00 24.11 C ATOM 0 H MET A 85 11.930 -0.813 11.107 1.00 3.30 H new ATOM 0 HA MET A 85 9.163 -0.114 10.336 1.00 75.11 H new ATOM 0 HB2 MET A 85 9.285 -1.857 12.178 1.00 4.44 H new ATOM 0 HB3 MET A 85 10.152 -0.688 13.155 1.00 4.44 H new ATOM 0 HG2 MET A 85 7.948 -0.457 13.890 1.00 20.13 H new ATOM 0 HG3 MET A 85 8.131 0.878 12.769 1.00 20.13 H new ATOM 0 HE1 MET A 85 4.623 0.387 12.003 1.00 24.11 H new ATOM 0 HE2 MET A 85 5.993 1.364 12.581 1.00 24.11 H new ATOM 0 HE3 MET A 85 5.751 1.116 10.835 1.00 24.11 H new ATOM 1225 N ILE A 86 9.662 2.260 10.768 1.00 31.21 N ATOM 1226 CA ILE A 86 9.953 3.674 10.967 1.00 10.13 C ATOM 1227 C ILE A 86 8.915 4.327 11.874 1.00 21.42 C ATOM 1228 O ILE A 86 7.749 4.462 11.504 1.00 14.44 O ATOM 1229 CB ILE A 86 9.998 4.434 9.628 1.00 22.43 C ATOM 1230 CG1 ILE A 86 10.864 3.678 8.618 1.00 54.25 C ATOM 1231 CG2 ILE A 86 10.528 5.844 9.837 1.00 14.52 C ATOM 1232 CD1 ILE A 86 12.311 3.548 9.039 1.00 54.32 C ATOM 0 H ILE A 86 8.893 2.074 10.124 1.00 31.21 H new ATOM 0 HA ILE A 86 10.933 3.730 11.441 1.00 10.13 H new ATOM 0 HB ILE A 86 8.985 4.503 9.231 1.00 22.43 H new ATOM 0 HG12 ILE A 86 10.447 2.682 8.468 1.00 54.25 H new ATOM 0 HG13 ILE A 86 10.818 4.191 7.657 1.00 54.25 H new ATOM 0 HG21 ILE A 86 10.554 6.368 8.882 1.00 14.52 H new ATOM 0 HG22 ILE A 86 9.876 6.379 10.527 1.00 14.52 H new ATOM 0 HG23 ILE A 86 11.535 5.796 10.252 1.00 14.52 H new ATOM 0 HD11 ILE A 86 12.864 3.001 8.275 1.00 54.32 H new ATOM 0 HD12 ILE A 86 12.745 4.540 9.161 1.00 54.32 H new ATOM 0 HD13 ILE A 86 12.368 3.008 9.984 1.00 54.32 H new ATOM 1244 N LYS A 87 9.347 4.731 13.064 1.00 65.13 N ATOM 1245 CA LYS A 87 8.458 5.373 14.024 1.00 33.21 C ATOM 1246 C LYS A 87 8.702 6.878 14.071 1.00 70.25 C ATOM 1247 O LYS A 87 9.823 7.328 14.302 1.00 65.55 O ATOM 1248 CB LYS A 87 8.657 4.770 15.417 1.00 75.14 C ATOM 1249 CG LYS A 87 7.356 4.493 16.151 1.00 40.40 C ATOM 1250 CD LYS A 87 6.697 5.779 16.621 1.00 55.35 C ATOM 1251 CE LYS A 87 5.262 5.883 16.125 1.00 2.21 C ATOM 1252 NZ LYS A 87 4.436 6.760 17.000 1.00 55.44 N ATOM 0 H LYS A 87 10.309 4.625 13.387 1.00 65.13 H new ATOM 0 HA LYS A 87 7.431 5.199 13.702 1.00 33.21 H new ATOM 0 HB2 LYS A 87 9.217 3.840 15.324 1.00 75.14 H new ATOM 0 HB3 LYS A 87 9.264 5.450 16.015 1.00 75.14 H new ATOM 0 HG2 LYS A 87 6.674 3.953 15.494 1.00 40.40 H new ATOM 0 HG3 LYS A 87 7.551 3.848 17.008 1.00 40.40 H new ATOM 0 HD2 LYS A 87 6.711 5.819 17.710 1.00 55.35 H new ATOM 0 HD3 LYS A 87 7.270 6.635 16.263 1.00 55.35 H new ATOM 0 HE2 LYS A 87 5.257 6.276 15.108 1.00 2.21 H new ATOM 0 HE3 LYS A 87 4.818 4.888 16.085 1.00 2.21 H new ATOM 0 HZ1 LYS A 87 3.758 7.292 16.418 1.00 55.44 H new ATOM 0 HZ2 LYS A 87 3.918 6.176 17.687 1.00 55.44 H new ATOM 0 HZ3 LYS A 87 5.054 7.426 17.507 1.00 55.44 H new ATOM 1266 N GLY A 88 7.643 7.652 13.851 1.00 64.23 N ATOM 1267 CA GLY A 88 7.764 9.098 13.873 1.00 22.23 C ATOM 1268 C GLY A 88 7.534 9.677 15.255 1.00 51.31 C ATOM 1269 O GLY A 88 6.980 9.012 16.130 1.00 23.25 O ATOM 0 H GLY A 88 6.704 7.303 13.658 1.00 64.23 H new ATOM 0 HA2 GLY A 88 8.757 9.382 13.524 1.00 22.23 H new ATOM 0 HA3 GLY A 88 7.045 9.531 13.177 1.00 22.23 H new ATOM 1273 N TYR A 89 7.961 10.920 15.452 1.00 33.41 N ATOM 1274 CA TYR A 89 7.802 11.587 16.739 1.00 53.24 C ATOM 1275 C TYR A 89 6.537 12.440 16.757 1.00 11.22 C ATOM 1276 O TYR A 89 5.878 12.571 17.789 1.00 41.33 O ATOM 1277 CB TYR A 89 9.022 12.459 17.039 1.00 64.30 C ATOM 1278 CG TYR A 89 9.247 12.698 18.515 1.00 63.21 C ATOM 1279 CD1 TYR A 89 9.976 11.797 19.281 1.00 31.54 C ATOM 1280 CD2 TYR A 89 8.731 13.824 19.143 1.00 15.11 C ATOM 1281 CE1 TYR A 89 10.183 12.010 20.630 1.00 5.44 C ATOM 1282 CE2 TYR A 89 8.934 14.047 20.491 1.00 23.21 C ATOM 1283 CZ TYR A 89 9.661 13.137 21.230 1.00 2.15 C ATOM 1284 OH TYR A 89 9.865 13.355 22.574 1.00 62.41 O ATOM 0 H TYR A 89 8.419 11.485 14.737 1.00 33.41 H new ATOM 0 HA TYR A 89 7.713 10.820 17.509 1.00 53.24 H new ATOM 0 HB2 TYR A 89 9.909 11.986 16.617 1.00 64.30 H new ATOM 0 HB3 TYR A 89 8.904 13.420 16.538 1.00 64.30 H new ATOM 0 HD1 TYR A 89 10.388 10.915 18.814 1.00 31.54 H new ATOM 0 HD2 TYR A 89 8.161 14.538 18.567 1.00 15.11 H new ATOM 0 HE1 TYR A 89 10.750 11.298 21.212 1.00 5.44 H new ATOM 0 HE2 TYR A 89 8.526 14.928 20.963 1.00 23.21 H new ATOM 0 HH TYR A 89 9.433 14.194 22.839 1.00 62.41 H new ATOM 1294 N SER A 90 6.204 13.018 15.607 1.00 32.14 N ATOM 1295 CA SER A 90 5.020 13.861 15.491 1.00 50.35 C ATOM 1296 C SER A 90 4.701 14.150 14.027 1.00 72.33 C ATOM 1297 O SER A 90 3.641 13.775 13.526 1.00 44.22 O ATOM 1298 CB SER A 90 5.227 15.175 16.247 1.00 33.35 C ATOM 1299 OG SER A 90 4.328 16.172 15.793 1.00 23.02 O ATOM 0 H SER A 90 6.737 12.918 14.743 1.00 32.14 H new ATOM 0 HA SER A 90 4.179 13.325 15.931 1.00 50.35 H new ATOM 0 HB2 SER A 90 5.083 15.010 17.315 1.00 33.35 H new ATOM 0 HB3 SER A 90 6.253 15.518 16.113 1.00 33.35 H new ATOM 0 HG SER A 90 4.480 17.001 16.293 1.00 23.02 H new ATOM 1305 N ASN A 91 5.626 14.818 13.346 1.00 2.55 N ATOM 1306 CA ASN A 91 5.444 15.158 11.940 1.00 44.40 C ATOM 1307 C ASN A 91 6.726 15.740 11.351 1.00 60.44 C ATOM 1308 O ASN A 91 6.915 16.956 11.327 1.00 52.13 O ATOM 1309 CB ASN A 91 4.297 16.158 11.780 1.00 60.14 C ATOM 1310 CG ASN A 91 4.186 16.688 10.363 1.00 10.22 C ATOM 1311 OD1 ASN A 91 3.973 15.928 9.419 1.00 74.22 O ATOM 1312 ND2 ASN A 91 4.331 17.999 10.209 1.00 11.24 N ATOM 0 H ASN A 91 6.510 15.135 13.745 1.00 2.55 H new ATOM 0 HA ASN A 91 5.199 14.244 11.400 1.00 44.40 H new ATOM 0 HB2 ASN A 91 3.359 15.679 12.060 1.00 60.14 H new ATOM 0 HB3 ASN A 91 4.447 16.992 12.466 1.00 60.14 H new ATOM 0 HD21 ASN A 91 4.267 18.413 9.279 1.00 11.24 H new ATOM 0 HD22 ASN A 91 4.506 18.592 11.021 1.00 11.24 H new ATOM 1319 N TYR A 92 7.603 14.862 10.876 1.00 41.21 N ATOM 1320 CA TYR A 92 8.868 15.287 10.288 1.00 12.51 C ATOM 1321 C TYR A 92 9.250 14.394 9.112 1.00 30.43 C ATOM 1322 O TYR A 92 9.422 13.185 9.267 1.00 21.43 O ATOM 1323 CB TYR A 92 9.977 15.266 11.341 1.00 32.54 C ATOM 1324 CG TYR A 92 10.916 16.448 11.257 1.00 74.20 C ATOM 1325 CD1 TYR A 92 11.917 16.497 10.296 1.00 44.53 C ATOM 1326 CD2 TYR A 92 10.800 17.516 12.138 1.00 32.23 C ATOM 1327 CE1 TYR A 92 12.778 17.575 10.216 1.00 53.34 C ATOM 1328 CE2 TYR A 92 11.655 18.599 12.065 1.00 72.54 C ATOM 1329 CZ TYR A 92 12.642 18.623 11.102 1.00 3.40 C ATOM 1330 OH TYR A 92 13.496 19.700 11.025 1.00 63.54 O ATOM 0 H TYR A 92 7.461 13.852 10.887 1.00 41.21 H new ATOM 0 HA TYR A 92 8.744 16.306 9.921 1.00 12.51 H new ATOM 0 HB2 TYR A 92 9.524 15.242 12.332 1.00 32.54 H new ATOM 0 HB3 TYR A 92 10.553 14.347 11.231 1.00 32.54 H new ATOM 0 HD1 TYR A 92 12.025 15.679 9.599 1.00 44.53 H new ATOM 0 HD2 TYR A 92 10.028 17.499 12.893 1.00 32.23 H new ATOM 0 HE1 TYR A 92 13.553 17.597 9.464 1.00 53.34 H new ATOM 0 HE2 TYR A 92 11.551 19.421 12.757 1.00 72.54 H new ATOM 0 HH TYR A 92 13.265 20.351 11.720 1.00 63.54 H new ATOM 1340 N SER A 93 9.382 14.998 7.936 1.00 55.30 N ATOM 1341 CA SER A 93 9.740 14.258 6.732 1.00 43.22 C ATOM 1342 C SER A 93 11.007 14.829 6.101 1.00 72.43 C ATOM 1343 O SER A 93 11.319 16.007 6.265 1.00 41.12 O ATOM 1344 CB SER A 93 8.591 14.298 5.722 1.00 24.53 C ATOM 1345 OG SER A 93 7.965 15.568 5.712 1.00 14.42 O ATOM 0 H SER A 93 9.246 15.999 7.791 1.00 55.30 H new ATOM 0 HA SER A 93 9.930 13.222 7.014 1.00 43.22 H new ATOM 0 HB2 SER A 93 8.970 14.068 4.726 1.00 24.53 H new ATOM 0 HB3 SER A 93 7.858 13.530 5.969 1.00 24.53 H new ATOM 0 HG SER A 93 7.236 15.568 5.057 1.00 14.42 H new ATOM 1351 N GLY A 94 11.733 13.982 5.377 1.00 21.23 N ATOM 1352 CA GLY A 94 12.958 14.418 4.732 1.00 15.41 C ATOM 1353 C GLY A 94 14.156 13.584 5.138 1.00 3.44 C ATOM 1354 O GLY A 94 15.293 14.055 5.094 1.00 60.24 O ATOM 0 H GLY A 94 11.495 13.002 5.226 1.00 21.23 H new ATOM 0 HA2 GLY A 94 12.833 14.367 3.650 1.00 15.41 H new ATOM 0 HA3 GLY A 94 13.145 15.462 4.982 1.00 15.41 H new ATOM 1358 N VAL A 95 13.903 12.342 5.538 1.00 50.20 N ATOM 1359 CA VAL A 95 14.970 11.441 5.955 1.00 63.42 C ATOM 1360 C VAL A 95 15.141 10.295 4.963 1.00 10.41 C ATOM 1361 O VAL A 95 14.174 9.836 4.354 1.00 12.33 O ATOM 1362 CB VAL A 95 14.698 10.857 7.354 1.00 54.10 C ATOM 1363 CG1 VAL A 95 15.986 10.345 7.980 1.00 41.15 C ATOM 1364 CG2 VAL A 95 14.039 11.899 8.246 1.00 23.41 C ATOM 0 H VAL A 95 12.968 11.937 5.582 1.00 50.20 H new ATOM 0 HA VAL A 95 15.886 12.030 5.987 1.00 63.42 H new ATOM 0 HB VAL A 95 14.014 10.015 7.250 1.00 54.10 H new ATOM 0 HG11 VAL A 95 15.773 9.936 8.968 1.00 41.15 H new ATOM 0 HG12 VAL A 95 16.412 9.565 7.349 1.00 41.15 H new ATOM 0 HG13 VAL A 95 16.697 11.166 8.073 1.00 41.15 H new ATOM 0 HG21 VAL A 95 13.854 11.470 9.231 1.00 23.41 H new ATOM 0 HG22 VAL A 95 14.697 12.762 8.344 1.00 23.41 H new ATOM 0 HG23 VAL A 95 13.094 12.212 7.803 1.00 23.41 H new ATOM 1374 N THR A 96 16.379 9.836 4.805 1.00 54.44 N ATOM 1375 CA THR A 96 16.677 8.745 3.886 1.00 23.12 C ATOM 1376 C THR A 96 16.849 7.428 4.635 1.00 51.14 C ATOM 1377 O THR A 96 17.774 7.271 5.432 1.00 3.53 O ATOM 1378 CB THR A 96 17.953 9.029 3.072 1.00 42.45 C ATOM 1379 OG1 THR A 96 18.041 10.427 2.770 1.00 31.45 O ATOM 1380 CG2 THR A 96 17.961 8.226 1.780 1.00 61.31 C ATOM 0 H THR A 96 17.191 10.203 5.302 1.00 54.44 H new ATOM 0 HA THR A 96 15.830 8.665 3.204 1.00 23.12 H new ATOM 0 HB THR A 96 18.813 8.732 3.672 1.00 42.45 H new ATOM 0 HG1 THR A 96 18.299 10.920 3.576 1.00 31.45 H new ATOM 0 HG21 THR A 96 18.872 8.443 1.222 1.00 61.31 H new ATOM 0 HG22 THR A 96 17.923 7.162 2.013 1.00 61.31 H new ATOM 0 HG23 THR A 96 17.094 8.497 1.178 1.00 61.31 H new ATOM 1388 N LEU A 97 15.953 6.483 4.372 1.00 11.05 N ATOM 1389 CA LEU A 97 16.006 5.177 5.021 1.00 12.53 C ATOM 1390 C LEU A 97 16.616 4.132 4.093 1.00 3.40 C ATOM 1391 O LEU A 97 16.221 4.009 2.934 1.00 51.14 O ATOM 1392 CB LEU A 97 14.603 4.741 5.447 1.00 21.44 C ATOM 1393 CG LEU A 97 14.472 3.303 5.952 1.00 41.03 C ATOM 1394 CD1 LEU A 97 14.410 2.331 4.784 1.00 50.14 C ATOM 1395 CD2 LEU A 97 15.629 2.955 6.877 1.00 62.24 C ATOM 0 H LEU A 97 15.182 6.596 3.714 1.00 11.05 H new ATOM 0 HA LEU A 97 16.638 5.263 5.905 1.00 12.53 H new ATOM 0 HB2 LEU A 97 14.258 5.414 6.232 1.00 21.44 H new ATOM 0 HB3 LEU A 97 13.931 4.870 4.599 1.00 21.44 H new ATOM 0 HG LEU A 97 13.544 3.220 6.517 1.00 41.03 H new ATOM 0 HD11 LEU A 97 14.317 1.313 5.162 1.00 50.14 H new ATOM 0 HD12 LEU A 97 13.548 2.566 4.160 1.00 50.14 H new ATOM 0 HD13 LEU A 97 15.321 2.416 4.191 1.00 50.14 H new ATOM 0 HD21 LEU A 97 15.519 1.928 7.227 1.00 62.24 H new ATOM 0 HD22 LEU A 97 16.570 3.056 6.336 1.00 62.24 H new ATOM 0 HD23 LEU A 97 15.628 3.631 7.732 1.00 62.24 H new ATOM 1407 N LYS A 98 17.581 3.380 4.611 1.00 21.11 N ATOM 1408 CA LYS A 98 18.245 2.342 3.831 1.00 11.11 C ATOM 1409 C LYS A 98 18.577 1.135 4.703 1.00 42.24 C ATOM 1410 O LYS A 98 18.568 1.222 5.931 1.00 13.33 O ATOM 1411 CB LYS A 98 19.523 2.893 3.195 1.00 62.41 C ATOM 1412 CG LYS A 98 20.106 1.990 2.121 1.00 33.12 C ATOM 1413 CD LYS A 98 20.673 2.794 0.964 1.00 41.43 C ATOM 1414 CE LYS A 98 21.567 3.923 1.455 1.00 63.34 C ATOM 1415 NZ LYS A 98 22.682 4.200 0.506 1.00 34.34 N ATOM 0 H LYS A 98 17.921 3.470 5.568 1.00 21.11 H new ATOM 0 HA LYS A 98 17.563 2.022 3.043 1.00 11.11 H new ATOM 0 HB2 LYS A 98 19.311 3.870 2.761 1.00 62.41 H new ATOM 0 HB3 LYS A 98 20.270 3.046 3.974 1.00 62.41 H new ATOM 0 HG2 LYS A 98 20.891 1.369 2.553 1.00 33.12 H new ATOM 0 HG3 LYS A 98 19.333 1.316 1.752 1.00 33.12 H new ATOM 0 HD2 LYS A 98 21.243 2.137 0.307 1.00 41.43 H new ATOM 0 HD3 LYS A 98 19.856 3.207 0.371 1.00 41.43 H new ATOM 0 HE2 LYS A 98 20.971 4.826 1.589 1.00 63.34 H new ATOM 0 HE3 LYS A 98 21.977 3.664 2.431 1.00 63.34 H new ATOM 0 HZ1 LYS A 98 23.268 4.975 0.876 1.00 34.34 H new ATOM 0 HZ2 LYS A 98 23.266 3.346 0.397 1.00 34.34 H new ATOM 0 HZ3 LYS A 98 22.291 4.472 -0.419 1.00 34.34 H new ATOM 1429 N LEU A 99 18.872 0.011 4.060 1.00 20.41 N ATOM 1430 CA LEU A 99 19.209 -1.214 4.777 1.00 63.40 C ATOM 1431 C LEU A 99 20.716 -1.322 4.992 1.00 35.05 C ATOM 1432 O LEU A 99 21.504 -0.935 4.131 1.00 40.43 O ATOM 1433 CB LEU A 99 18.704 -2.435 4.006 1.00 24.32 C ATOM 1434 CG LEU A 99 19.693 -3.593 3.860 1.00 51.31 C ATOM 1435 CD1 LEU A 99 18.952 -4.902 3.637 1.00 64.15 C ATOM 1436 CD2 LEU A 99 20.663 -3.325 2.718 1.00 13.23 C ATOM 0 H LEU A 99 18.885 -0.078 3.044 1.00 20.41 H new ATOM 0 HA LEU A 99 18.723 -1.181 5.752 1.00 63.40 H new ATOM 0 HB2 LEU A 99 17.809 -2.809 4.503 1.00 24.32 H new ATOM 0 HB3 LEU A 99 18.404 -2.112 3.009 1.00 24.32 H new ATOM 0 HG LEU A 99 20.265 -3.676 4.784 1.00 51.31 H new ATOM 0 HD11 LEU A 99 19.671 -5.715 3.535 1.00 64.15 H new ATOM 0 HD12 LEU A 99 18.299 -5.100 4.487 1.00 64.15 H new ATOM 0 HD13 LEU A 99 18.354 -4.831 2.729 1.00 64.15 H new ATOM 0 HD21 LEU A 99 21.359 -4.159 2.629 1.00 13.23 H new ATOM 0 HD22 LEU A 99 20.107 -3.215 1.787 1.00 13.23 H new ATOM 0 HD23 LEU A 99 21.218 -2.409 2.920 1.00 13.23 H new ATOM 1448 N GLN A 100 21.107 -1.852 6.147 1.00 75.32 N ATOM 1449 CA GLN A 100 22.518 -2.012 6.474 1.00 24.20 C ATOM 1450 C GLN A 100 23.007 -3.410 6.110 1.00 74.50 C ATOM 1451 O GLN A 100 22.576 -4.402 6.699 1.00 22.22 O ATOM 1452 CB GLN A 100 22.751 -1.749 7.963 1.00 65.32 C ATOM 1453 CG GLN A 100 21.587 -2.170 8.845 1.00 70.44 C ATOM 1454 CD GLN A 100 21.134 -3.592 8.574 1.00 2.41 C ATOM 1455 OE1 GLN A 100 20.256 -3.828 7.744 1.00 33.34 O ATOM 1456 NE2 GLN A 100 21.733 -4.547 9.275 1.00 61.52 N ATOM 0 H GLN A 100 20.466 -2.177 6.871 1.00 75.32 H new ATOM 0 HA GLN A 100 23.084 -1.286 5.891 1.00 24.20 H new ATOM 0 HB2 GLN A 100 23.648 -2.281 8.281 1.00 65.32 H new ATOM 0 HB3 GLN A 100 22.941 -0.686 8.110 1.00 65.32 H new ATOM 0 HG2 GLN A 100 21.877 -2.078 9.892 1.00 70.44 H new ATOM 0 HG3 GLN A 100 20.751 -1.490 8.686 1.00 70.44 H new ATOM 0 HE21 GLN A 100 22.456 -4.305 9.953 1.00 61.52 H new ATOM 0 HE22 GLN A 100 21.470 -5.523 9.136 1.00 61.52 H new ATOM 1465 N TYR A 101 23.907 -3.482 5.136 1.00 72.22 N ATOM 1466 CA TYR A 101 24.452 -4.759 4.691 1.00 34.51 C ATOM 1467 C TYR A 101 25.972 -4.777 4.817 1.00 50.45 C ATOM 1468 O TYR A 101 26.676 -5.179 3.892 1.00 21.11 O ATOM 1469 CB TYR A 101 24.045 -5.034 3.242 1.00 21.54 C ATOM 1470 CG TYR A 101 24.598 -4.030 2.257 1.00 2.32 C ATOM 1471 CD1 TYR A 101 24.114 -2.728 2.216 1.00 73.32 C ATOM 1472 CD2 TYR A 101 25.606 -4.382 1.368 1.00 4.11 C ATOM 1473 CE1 TYR A 101 24.616 -1.807 1.317 1.00 74.42 C ATOM 1474 CE2 TYR A 101 26.115 -3.467 0.467 1.00 64.25 C ATOM 1475 CZ TYR A 101 25.616 -2.181 0.444 1.00 24.54 C ATOM 1476 OH TYR A 101 26.120 -1.267 -0.452 1.00 1.33 O ATOM 0 H TYR A 101 24.275 -2.671 4.639 1.00 72.22 H new ATOM 0 HA TYR A 101 24.044 -5.542 5.331 1.00 34.51 H new ATOM 0 HB2 TYR A 101 24.385 -6.031 2.961 1.00 21.54 H new ATOM 0 HB3 TYR A 101 22.957 -5.037 3.173 1.00 21.54 H new ATOM 0 HD1 TYR A 101 23.332 -2.431 2.899 1.00 73.32 H new ATOM 0 HD2 TYR A 101 25.998 -5.388 1.382 1.00 4.11 H new ATOM 0 HE1 TYR A 101 24.227 -0.800 1.298 1.00 74.42 H new ATOM 0 HE2 TYR A 101 26.900 -3.757 -0.216 1.00 64.25 H new ATOM 0 HH TYR A 101 26.819 -1.690 -0.993 1.00 1.33 H new