USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 641 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 88 LYS NZ :NH3+ -125:sc= -0.487 (180deg=-3.37!) USER MOD Set 1.2: A 119 CYS SG : rot -130:sc= -0.0374 USER MOD Set 2.1: A 79 GLN :FLIP amide:sc= -0.172 F(o=-1.1,f=-0.19) USER MOD Set 2.2: A 82 LYS NZ :NH3+ -168:sc= -0.0131 (180deg=-0.18) USER MOD Single : A 60 LYS NZ :NH3+ 166:sc= -0.0422 (180deg=-0.272) USER MOD Single : A 62 THR OG1 : rot 63:sc= 0.808 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0.0163 K(o=0.016,f=-7.4!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.887 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= -0.659 F(o=-1.7,f=-0.66) USER MOD Single : A 80 ASN : amide:sc= -0.789 X(o=-0.79,f=-0.52) USER MOD Single : A 90 GLN : amide:sc= 0.425 K(o=0.42,f=-0.14) USER MOD Single : A 98 ASN : amide:sc= -0.0398 X(o=-0.04,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.643 K(o=-0.64,f=-4!) USER MOD Single : A 103 LYS NZ :NH3+ -122:sc= -2.02! (180deg=-5.43!) USER MOD Single : A 107 SER OG : rot 180:sc= -0.842 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 65:sc= 1.27 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 130 LYS NZ :NH3+ -113:sc= -1.27 (180deg=-5.22!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 60 3.265 -7.963 -5.488 1.00 0.00 N ATOM 2 CA LYS A 60 2.275 -8.246 -6.520 1.00 0.00 C ATOM 3 C LYS A 60 2.391 -7.253 -7.672 1.00 0.00 C ATOM 4 O LYS A 60 1.551 -6.368 -7.827 1.00 0.00 O ATOM 5 CB LYS A 60 0.864 -8.196 -5.930 1.00 0.00 C ATOM 6 CG LYS A 60 -0.203 -8.752 -6.857 1.00 0.00 C ATOM 7 CD LYS A 60 -1.331 -9.409 -6.078 1.00 0.00 C ATOM 8 CE LYS A 60 -2.045 -8.408 -5.182 1.00 0.00 C ATOM 9 NZ LYS A 60 -2.610 -7.271 -5.960 1.00 0.00 N ATOM 0 HA LYS A 60 2.465 -9.247 -6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.850 -8.757 -4.996 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.618 -7.163 -5.685 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.605 -7.948 -7.474 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.245 -9.479 -7.534 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.045 -9.851 -6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.931 -10.222 -5.471 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.846 -8.912 -4.641 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.348 -8.027 -4.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.281 -6.743 -5.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.840 -6.639 -6.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.104 -7.636 -6.799 1.00 0.00 H new ATOM 23 N GLU A 61 3.437 -7.408 -8.478 1.00 0.00 N ATOM 24 CA GLU A 61 3.662 -6.524 -9.616 1.00 0.00 C ATOM 25 C GLU A 61 3.624 -5.061 -9.184 1.00 0.00 C ATOM 26 O GLU A 61 3.063 -4.211 -9.877 1.00 0.00 O ATOM 27 CB GLU A 61 2.611 -6.775 -10.700 1.00 0.00 C ATOM 28 CG GLU A 61 2.499 -8.233 -11.113 1.00 0.00 C ATOM 29 CD GLU A 61 1.782 -8.410 -12.437 1.00 0.00 C ATOM 30 OE1 GLU A 61 0.691 -7.825 -12.603 1.00 0.00 O ATOM 31 OE2 GLU A 61 2.310 -9.134 -13.306 1.00 0.00 O ATOM 0 H GLU A 61 4.141 -8.137 -8.364 1.00 0.00 H new ATOM 0 HA GLU A 61 4.651 -6.739 -10.021 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.641 -6.433 -10.340 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.855 -6.175 -11.577 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.497 -8.664 -11.184 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.967 -8.786 -10.339 1.00 0.00 H new ATOM 38 N THR A 62 4.224 -4.774 -8.033 1.00 0.00 N ATOM 39 CA THR A 62 4.258 -3.415 -7.507 1.00 0.00 C ATOM 40 C THR A 62 5.550 -3.154 -6.741 1.00 0.00 C ATOM 41 O THR A 62 5.652 -3.461 -5.553 1.00 0.00 O ATOM 42 CB THR A 62 3.060 -3.142 -6.578 1.00 0.00 C ATOM 43 OG1 THR A 62 1.884 -3.775 -7.097 1.00 0.00 O ATOM 44 CG2 THR A 62 2.816 -1.648 -6.434 1.00 0.00 C ATOM 0 H THR A 62 4.693 -5.465 -7.447 1.00 0.00 H new ATOM 0 HA THR A 62 4.205 -2.743 -8.364 1.00 0.00 H new ATOM 0 HB THR A 62 3.290 -3.553 -5.595 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.018 -4.746 -7.119 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.965 -1.480 -5.774 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.702 -1.174 -6.012 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.606 -1.218 -7.413 1.00 0.00 H new ATOM 52 N VAL A 63 6.535 -2.585 -7.428 1.00 0.00 N ATOM 53 CA VAL A 63 7.821 -2.281 -6.811 1.00 0.00 C ATOM 54 C VAL A 63 8.051 -0.776 -6.733 1.00 0.00 C ATOM 55 O VAL A 63 7.485 0.004 -7.499 1.00 0.00 O ATOM 56 CB VAL A 63 8.983 -2.927 -7.589 1.00 0.00 C ATOM 57 CG1 VAL A 63 9.064 -4.416 -7.290 1.00 0.00 C ATOM 58 CG2 VAL A 63 8.825 -2.682 -9.082 1.00 0.00 C ATOM 0 H VAL A 63 6.467 -2.325 -8.412 1.00 0.00 H new ATOM 0 HA VAL A 63 7.794 -2.694 -5.803 1.00 0.00 H new ATOM 0 HB VAL A 63 9.916 -2.465 -7.265 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.891 -4.855 -7.849 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.228 -4.564 -6.223 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.131 -4.897 -7.584 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.654 -3.145 -9.616 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.885 -3.116 -9.424 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.822 -1.609 -9.276 1.00 0.00 H new ATOM 68 N PRO A 64 8.901 -0.356 -5.784 1.00 0.00 N ATOM 69 CA PRO A 64 9.226 1.059 -5.583 1.00 0.00 C ATOM 70 C PRO A 64 10.062 1.630 -6.723 1.00 0.00 C ATOM 71 O PRO A 64 10.232 0.990 -7.762 1.00 0.00 O ATOM 72 CB PRO A 64 10.029 1.057 -4.280 1.00 0.00 C ATOM 73 CG PRO A 64 10.615 -0.310 -4.198 1.00 0.00 C ATOM 74 CD PRO A 64 9.610 -1.230 -4.835 1.00 0.00 C ATOM 0 HA PRO A 64 8.332 1.681 -5.548 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.806 1.821 -4.293 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.391 1.266 -3.421 1.00 0.00 H new ATOM 0 HG2 PRO A 64 11.572 -0.356 -4.719 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.802 -0.593 -3.162 1.00 0.00 H new ATOM 0 HD2 PRO A 64 10.094 -2.065 -5.342 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.931 -1.656 -4.097 1.00 0.00 H new ATOM 82 N TYR A 65 10.583 2.835 -6.522 1.00 0.00 N ATOM 83 CA TYR A 65 11.401 3.492 -7.535 1.00 0.00 C ATOM 84 C TYR A 65 12.826 3.703 -7.032 1.00 0.00 C ATOM 85 O TYR A 65 13.743 3.941 -7.817 1.00 0.00 O ATOM 86 CB TYR A 65 10.783 4.835 -7.927 1.00 0.00 C ATOM 87 CG TYR A 65 11.023 5.214 -9.371 1.00 0.00 C ATOM 88 CD1 TYR A 65 10.511 4.441 -10.407 1.00 0.00 C ATOM 89 CD2 TYR A 65 11.760 6.345 -9.700 1.00 0.00 C ATOM 90 CE1 TYR A 65 10.729 4.783 -11.727 1.00 0.00 C ATOM 91 CE2 TYR A 65 11.981 6.695 -11.018 1.00 0.00 C ATOM 92 CZ TYR A 65 11.464 5.911 -12.028 1.00 0.00 C ATOM 93 OH TYR A 65 11.682 6.255 -13.342 1.00 0.00 O ATOM 0 H TYR A 65 10.454 3.377 -5.667 1.00 0.00 H new ATOM 0 HA TYR A 65 11.436 2.846 -8.412 1.00 0.00 H new ATOM 0 HB2 TYR A 65 9.709 4.799 -7.743 1.00 0.00 H new ATOM 0 HB3 TYR A 65 11.190 5.615 -7.283 1.00 0.00 H new ATOM 0 HD1 TYR A 65 9.933 3.558 -10.176 1.00 0.00 H new ATOM 0 HD2 TYR A 65 12.167 6.961 -8.912 1.00 0.00 H new ATOM 0 HE1 TYR A 65 10.326 4.170 -12.520 1.00 0.00 H new ATOM 0 HE2 TYR A 65 12.556 7.578 -11.256 1.00 0.00 H new ATOM 0 HH TYR A 65 12.216 7.076 -13.381 1.00 0.00 H new ATOM 103 N GLN A 66 13.002 3.613 -5.718 1.00 0.00 N ATOM 104 CA GLN A 66 14.314 3.794 -5.109 1.00 0.00 C ATOM 105 C GLN A 66 15.005 2.451 -4.895 1.00 0.00 C ATOM 106 O GLN A 66 15.887 2.324 -4.045 1.00 0.00 O ATOM 107 CB GLN A 66 14.184 4.532 -3.775 1.00 0.00 C ATOM 108 CG GLN A 66 13.244 3.852 -2.793 1.00 0.00 C ATOM 109 CD GLN A 66 11.855 4.458 -2.799 1.00 0.00 C ATOM 110 OE1 GLN A 66 11.003 4.079 -3.603 1.00 0.00 O ATOM 111 NE2 GLN A 66 11.618 5.406 -1.900 1.00 0.00 N ATOM 0 H GLN A 66 12.253 3.416 -5.055 1.00 0.00 H new ATOM 0 HA GLN A 66 14.922 4.391 -5.789 1.00 0.00 H new ATOM 0 HB2 GLN A 66 15.171 4.619 -3.320 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.829 5.545 -3.963 1.00 0.00 H new ATOM 0 HG2 GLN A 66 13.175 2.792 -3.037 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.662 3.921 -1.789 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.353 5.690 -1.252 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.701 5.850 -1.857 1.00 0.00 H new ATOM 120 N ILE A 67 14.598 1.452 -5.671 1.00 0.00 N ATOM 121 CA ILE A 67 15.178 0.119 -5.566 1.00 0.00 C ATOM 122 C ILE A 67 15.615 -0.400 -6.932 1.00 0.00 C ATOM 123 O ILE A 67 14.875 -0.334 -7.914 1.00 0.00 O ATOM 124 CB ILE A 67 14.185 -0.881 -4.944 1.00 0.00 C ATOM 125 CG1 ILE A 67 13.811 -0.445 -3.526 1.00 0.00 C ATOM 126 CG2 ILE A 67 14.779 -2.281 -4.935 1.00 0.00 C ATOM 127 CD1 ILE A 67 14.985 -0.419 -2.572 1.00 0.00 C ATOM 0 H ILE A 67 13.869 1.541 -6.379 1.00 0.00 H new ATOM 0 HA ILE A 67 16.049 0.205 -4.916 1.00 0.00 H new ATOM 0 HB ILE A 67 13.279 -0.897 -5.550 1.00 0.00 H new ATOM 0 HG12 ILE A 67 13.364 0.548 -3.566 1.00 0.00 H new ATOM 0 HG13 ILE A 67 13.051 -1.121 -3.135 1.00 0.00 H new ATOM 0 HG21 ILE A 67 14.065 -2.976 -4.493 1.00 0.00 H new ATOM 0 HG22 ILE A 67 15.000 -2.589 -5.957 1.00 0.00 H new ATOM 0 HG23 ILE A 67 15.698 -2.283 -4.349 1.00 0.00 H new ATOM 0 HD11 ILE A 67 14.646 -0.101 -1.586 1.00 0.00 H new ATOM 0 HD12 ILE A 67 15.419 -1.416 -2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 67 15.737 0.279 -2.940 1.00 0.00 H new ATOM 139 N PRO A 68 16.845 -0.930 -6.998 1.00 0.00 N ATOM 140 CA PRO A 68 17.735 -1.013 -5.836 1.00 0.00 C ATOM 141 C PRO A 68 18.242 0.356 -5.395 1.00 0.00 C ATOM 142 O PRO A 68 18.180 0.701 -4.214 1.00 0.00 O ATOM 143 CB PRO A 68 18.895 -1.877 -6.338 1.00 0.00 C ATOM 144 CG PRO A 68 18.900 -1.682 -7.815 1.00 0.00 C ATOM 145 CD PRO A 68 17.463 -1.488 -8.213 1.00 0.00 C ATOM 0 HA PRO A 68 17.228 -1.423 -4.963 1.00 0.00 H new ATOM 0 HB2 PRO A 68 19.841 -1.566 -5.894 1.00 0.00 H new ATOM 0 HB3 PRO A 68 18.750 -2.925 -6.077 1.00 0.00 H new ATOM 0 HG2 PRO A 68 19.502 -0.816 -8.092 1.00 0.00 H new ATOM 0 HG3 PRO A 68 19.332 -2.546 -8.321 1.00 0.00 H new ATOM 0 HD2 PRO A 68 17.369 -0.809 -9.060 1.00 0.00 H new ATOM 0 HD3 PRO A 68 16.996 -2.429 -8.505 1.00 0.00 H new ATOM 153 N TYR A 69 18.743 1.132 -6.349 1.00 0.00 N ATOM 154 CA TYR A 69 19.263 2.462 -6.058 1.00 0.00 C ATOM 155 C TYR A 69 18.823 3.463 -7.123 1.00 0.00 C ATOM 156 O TYR A 69 18.744 3.135 -8.307 1.00 0.00 O ATOM 157 CB TYR A 69 20.789 2.429 -5.973 1.00 0.00 C ATOM 158 CG TYR A 69 21.462 2.095 -7.285 1.00 0.00 C ATOM 159 CD1 TYR A 69 21.625 0.775 -7.689 1.00 0.00 C ATOM 160 CD2 TYR A 69 21.936 3.099 -8.121 1.00 0.00 C ATOM 161 CE1 TYR A 69 22.240 0.465 -8.886 1.00 0.00 C ATOM 162 CE2 TYR A 69 22.550 2.798 -9.322 1.00 0.00 C ATOM 163 CZ TYR A 69 22.700 1.480 -9.700 1.00 0.00 C ATOM 164 OH TYR A 69 23.313 1.176 -10.894 1.00 0.00 O ATOM 0 H TYR A 69 18.800 0.863 -7.331 1.00 0.00 H new ATOM 0 HA TYR A 69 18.860 2.780 -5.097 1.00 0.00 H new ATOM 0 HB2 TYR A 69 21.146 3.399 -5.628 1.00 0.00 H new ATOM 0 HB3 TYR A 69 21.087 1.695 -5.224 1.00 0.00 H new ATOM 0 HD1 TYR A 69 21.264 -0.022 -7.056 1.00 0.00 H new ATOM 0 HD2 TYR A 69 21.823 4.132 -7.827 1.00 0.00 H new ATOM 0 HE1 TYR A 69 22.360 -0.566 -9.183 1.00 0.00 H new ATOM 0 HE2 TYR A 69 22.910 3.590 -9.961 1.00 0.00 H new ATOM 0 HH TYR A 69 23.577 2.004 -11.347 1.00 0.00 H new ATOM 174 N THR A 70 18.539 4.689 -6.692 1.00 0.00 N ATOM 175 CA THR A 70 18.107 5.739 -7.605 1.00 0.00 C ATOM 176 C THR A 70 19.229 6.738 -7.863 1.00 0.00 C ATOM 177 O THR A 70 20.099 6.963 -7.022 1.00 0.00 O ATOM 178 CB THR A 70 16.881 6.492 -7.056 1.00 0.00 C ATOM 179 OG1 THR A 70 16.627 6.095 -5.704 1.00 0.00 O ATOM 180 CG2 THR A 70 15.651 6.217 -7.909 1.00 0.00 C ATOM 0 H THR A 70 18.601 4.978 -5.716 1.00 0.00 H new ATOM 0 HA THR A 70 17.835 5.252 -8.541 1.00 0.00 H new ATOM 0 HB THR A 70 17.095 7.560 -7.087 1.00 0.00 H new ATOM 0 HG1 THR A 70 15.847 6.580 -5.362 1.00 0.00 H new ATOM 0 HG21 THR A 70 14.797 6.759 -7.502 1.00 0.00 H new ATOM 0 HG22 THR A 70 15.836 6.546 -8.931 1.00 0.00 H new ATOM 0 HG23 THR A 70 15.437 5.148 -7.905 1.00 0.00 H new ATOM 188 N PRO A 71 19.211 7.355 -9.054 1.00 0.00 N ATOM 189 CA PRO A 71 20.219 8.342 -9.450 1.00 0.00 C ATOM 190 C PRO A 71 20.097 9.643 -8.665 1.00 0.00 C ATOM 191 O PRO A 71 21.097 10.218 -8.236 1.00 0.00 O ATOM 192 CB PRO A 71 19.919 8.581 -10.932 1.00 0.00 C ATOM 193 CG PRO A 71 18.476 8.244 -11.086 1.00 0.00 C ATOM 194 CD PRO A 71 18.204 7.136 -10.106 1.00 0.00 C ATOM 0 HA PRO A 71 21.232 7.989 -9.258 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.116 9.615 -11.214 1.00 0.00 H new ATOM 0 HB3 PRO A 71 20.542 7.953 -11.568 1.00 0.00 H new ATOM 0 HG2 PRO A 71 17.848 9.111 -10.879 1.00 0.00 H new ATOM 0 HG3 PRO A 71 18.256 7.927 -12.105 1.00 0.00 H new ATOM 0 HD2 PRO A 71 17.190 7.191 -9.709 1.00 0.00 H new ATOM 0 HD3 PRO A 71 18.313 6.155 -10.568 1.00 0.00 H new ATOM 202 N SER A 72 18.863 10.103 -8.480 1.00 0.00 N ATOM 203 CA SER A 72 18.610 11.339 -7.749 1.00 0.00 C ATOM 204 C SER A 72 19.200 11.270 -6.343 1.00 0.00 C ATOM 205 O SER A 72 19.686 12.268 -5.813 1.00 0.00 O ATOM 206 CB SER A 72 17.107 11.611 -7.670 1.00 0.00 C ATOM 207 OG SER A 72 16.537 11.706 -8.965 1.00 0.00 O ATOM 0 H SER A 72 18.024 9.638 -8.826 1.00 0.00 H new ATOM 0 HA SER A 72 19.092 12.155 -8.287 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.619 10.812 -7.112 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.930 12.537 -7.122 1.00 0.00 H new ATOM 0 HG SER A 72 15.575 11.878 -8.887 1.00 0.00 H new ATOM 213 N GLU A 73 19.152 10.083 -5.747 1.00 0.00 N ATOM 214 CA GLU A 73 19.681 9.882 -4.402 1.00 0.00 C ATOM 215 C GLU A 73 21.201 10.008 -4.391 1.00 0.00 C ATOM 216 O GLU A 73 21.772 10.705 -3.551 1.00 0.00 O ATOM 217 CB GLU A 73 19.267 8.510 -3.867 1.00 0.00 C ATOM 218 CG GLU A 73 17.794 8.196 -4.067 1.00 0.00 C ATOM 219 CD GLU A 73 16.888 9.141 -3.303 1.00 0.00 C ATOM 220 OE1 GLU A 73 17.390 9.846 -2.402 1.00 0.00 O ATOM 221 OE2 GLU A 73 15.676 9.176 -3.604 1.00 0.00 O ATOM 0 H GLU A 73 18.753 9.247 -6.173 1.00 0.00 H new ATOM 0 HA GLU A 73 19.265 10.656 -3.756 1.00 0.00 H new ATOM 0 HB2 GLU A 73 19.863 7.742 -4.360 1.00 0.00 H new ATOM 0 HB3 GLU A 73 19.499 8.459 -2.803 1.00 0.00 H new ATOM 0 HG2 GLU A 73 17.556 8.250 -5.129 1.00 0.00 H new ATOM 0 HG3 GLU A 73 17.598 7.173 -3.747 1.00 0.00 H new ATOM 228 N LEU A 74 21.852 9.329 -5.329 1.00 0.00 N ATOM 229 CA LEU A 74 23.307 9.363 -5.428 1.00 0.00 C ATOM 230 C LEU A 74 23.806 10.792 -5.616 1.00 0.00 C ATOM 231 O LEU A 74 24.674 11.258 -4.878 1.00 0.00 O ATOM 232 CB LEU A 74 23.779 8.489 -6.591 1.00 0.00 C ATOM 233 CG LEU A 74 23.387 7.013 -6.524 1.00 0.00 C ATOM 234 CD1 LEU A 74 24.136 6.213 -7.579 1.00 0.00 C ATOM 235 CD2 LEU A 74 23.658 6.452 -5.135 1.00 0.00 C ATOM 0 H LEU A 74 21.395 8.748 -6.032 1.00 0.00 H new ATOM 0 HA LEU A 74 23.719 8.973 -4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 74 23.384 8.907 -7.517 1.00 0.00 H new ATOM 0 HB3 LEU A 74 24.866 8.553 -6.650 1.00 0.00 H new ATOM 0 HG LEU A 74 22.319 6.931 -6.726 1.00 0.00 H new ATOM 0 HD11 LEU A 74 23.844 5.165 -7.516 1.00 0.00 H new ATOM 0 HD12 LEU A 74 23.892 6.599 -8.569 1.00 0.00 H new ATOM 0 HD13 LEU A 74 25.209 6.302 -7.409 1.00 0.00 H new ATOM 0 HD21 LEU A 74 23.373 5.400 -5.105 1.00 0.00 H new ATOM 0 HD22 LEU A 74 24.719 6.547 -4.905 1.00 0.00 H new ATOM 0 HD23 LEU A 74 23.076 7.006 -4.399 1.00 0.00 H new ATOM 247 N GLU A 75 23.250 11.483 -6.606 1.00 0.00 N ATOM 248 CA GLU A 75 23.639 12.860 -6.889 1.00 0.00 C ATOM 249 C GLU A 75 23.372 13.759 -5.685 1.00 0.00 C ATOM 250 O GLU A 75 24.191 14.609 -5.338 1.00 0.00 O ATOM 251 CB GLU A 75 22.882 13.387 -8.110 1.00 0.00 C ATOM 252 CG GLU A 75 21.373 13.406 -7.929 1.00 0.00 C ATOM 253 CD GLU A 75 20.641 13.830 -9.187 1.00 0.00 C ATOM 254 OE1 GLU A 75 20.994 13.329 -10.276 1.00 0.00 O ATOM 255 OE2 GLU A 75 19.715 14.662 -9.084 1.00 0.00 O ATOM 0 H GLU A 75 22.529 11.112 -7.225 1.00 0.00 H new ATOM 0 HA GLU A 75 24.708 12.872 -7.100 1.00 0.00 H new ATOM 0 HB2 GLU A 75 23.226 14.397 -8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 75 23.128 12.770 -8.974 1.00 0.00 H new ATOM 0 HG2 GLU A 75 21.034 12.413 -7.633 1.00 0.00 H new ATOM 0 HG3 GLU A 75 21.117 14.086 -7.117 1.00 0.00 H new ATOM 262 N GLU A 76 22.219 13.563 -5.052 1.00 0.00 N ATOM 263 CA GLU A 76 21.843 14.357 -3.888 1.00 0.00 C ATOM 264 C GLU A 76 22.782 14.083 -2.716 1.00 0.00 C ATOM 265 O GLU A 76 23.083 14.977 -1.925 1.00 0.00 O ATOM 266 CB GLU A 76 20.400 14.054 -3.480 1.00 0.00 C ATOM 267 CG GLU A 76 19.845 15.018 -2.445 1.00 0.00 C ATOM 268 CD GLU A 76 19.968 16.467 -2.871 1.00 0.00 C ATOM 269 OE1 GLU A 76 19.099 16.937 -3.636 1.00 0.00 O ATOM 270 OE2 GLU A 76 20.933 17.132 -2.440 1.00 0.00 O ATOM 0 H GLU A 76 21.530 12.862 -5.325 1.00 0.00 H new ATOM 0 HA GLU A 76 21.923 15.410 -4.158 1.00 0.00 H new ATOM 0 HB2 GLU A 76 19.767 14.082 -4.367 1.00 0.00 H new ATOM 0 HB3 GLU A 76 20.349 13.040 -3.084 1.00 0.00 H new ATOM 0 HG2 GLU A 76 18.796 14.785 -2.263 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.372 14.875 -1.502 1.00 0.00 H new ATOM 277 N LEU A 77 23.241 12.841 -2.612 1.00 0.00 N ATOM 278 CA LEU A 77 24.146 12.447 -1.538 1.00 0.00 C ATOM 279 C LEU A 77 25.499 13.135 -1.685 1.00 0.00 C ATOM 280 O LEU A 77 25.982 13.779 -0.754 1.00 0.00 O ATOM 281 CB LEU A 77 24.331 10.929 -1.531 1.00 0.00 C ATOM 282 CG LEU A 77 24.424 10.269 -0.155 1.00 0.00 C ATOM 283 CD1 LEU A 77 25.576 10.860 0.643 1.00 0.00 C ATOM 284 CD2 LEU A 77 23.113 10.427 0.602 1.00 0.00 C ATOM 0 H LEU A 77 23.001 12.089 -3.258 1.00 0.00 H new ATOM 0 HA LEU A 77 23.703 12.757 -0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 77 23.498 10.479 -2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 77 25.238 10.691 -2.087 1.00 0.00 H new ATOM 0 HG LEU A 77 24.614 9.205 -0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 77 25.627 10.378 1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 77 26.511 10.696 0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 77 25.416 11.930 0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 77 23.197 9.951 1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 77 22.893 11.487 0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 77 22.308 9.956 0.038 1.00 0.00 H new ATOM 296 N GLN A 78 26.102 12.997 -2.861 1.00 0.00 N ATOM 297 CA GLN A 78 27.399 13.607 -3.130 1.00 0.00 C ATOM 298 C GLN A 78 27.331 15.122 -2.968 1.00 0.00 C ATOM 299 O GLN A 78 28.202 15.728 -2.344 1.00 0.00 O ATOM 300 CB GLN A 78 27.870 13.254 -4.542 1.00 0.00 C ATOM 301 CG GLN A 78 26.857 13.593 -5.623 1.00 0.00 C ATOM 302 CD GLN A 78 27.296 13.133 -7.000 1.00 0.00 C ATOM 303 OE1 GLN A 78 27.728 11.881 -7.096 1.00 0.00 O flip ATOM 304 NE2 GLN A 78 27.248 13.894 -7.966 1.00 0.00 N flip ATOM 0 H GLN A 78 25.714 12.469 -3.642 1.00 0.00 H new ATOM 0 HA GLN A 78 28.114 13.214 -2.408 1.00 0.00 H new ATOM 0 HB2 GLN A 78 28.800 13.783 -4.749 1.00 0.00 H new ATOM 0 HB3 GLN A 78 28.093 12.188 -4.586 1.00 0.00 H new ATOM 0 HG2 GLN A 78 25.901 13.131 -5.377 1.00 0.00 H new ATOM 0 HG3 GLN A 78 26.695 14.671 -5.639 1.00 0.00 H new ATOM 0 HE21 GLN A 78 26.909 14.849 -7.847 1.00 0.00 H new ATOM 0 HE22 GLN A 78 27.547 13.570 -8.886 1.00 0.00 H new ATOM 313 N GLN A 79 26.292 15.727 -3.534 1.00 0.00 N ATOM 314 CA GLN A 79 26.113 17.172 -3.453 1.00 0.00 C ATOM 315 C GLN A 79 26.020 17.628 -2.001 1.00 0.00 C ATOM 316 O GLN A 79 26.658 18.603 -1.605 1.00 0.00 O ATOM 317 CB GLN A 79 24.854 17.594 -4.213 1.00 0.00 C ATOM 318 CG GLN A 79 25.082 17.793 -5.703 1.00 0.00 C ATOM 319 CD GLN A 79 26.009 18.955 -6.002 1.00 0.00 C ATOM 320 OE1 GLN A 79 27.292 18.659 -6.177 1.00 0.00 O flip ATOM 321 NE2 GLN A 79 25.578 20.106 -6.075 1.00 0.00 N flip ATOM 0 H GLN A 79 25.562 15.240 -4.053 1.00 0.00 H new ATOM 0 HA GLN A 79 26.982 17.647 -3.909 1.00 0.00 H new ATOM 0 HB2 GLN A 79 24.082 16.838 -4.070 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.475 18.522 -3.785 1.00 0.00 H new ATOM 0 HG2 GLN A 79 25.501 16.881 -6.128 1.00 0.00 H new ATOM 0 HG3 GLN A 79 24.124 17.962 -6.194 1.00 0.00 H new ATOM 0 HE21 GLN A 79 24.584 20.288 -5.934 1.00 0.00 H new ATOM 0 HE22 GLN A 79 26.214 20.877 -6.277 1.00 0.00 H new ATOM 330 N ASN A 80 25.222 16.917 -1.211 1.00 0.00 N ATOM 331 CA ASN A 80 25.046 17.249 0.198 1.00 0.00 C ATOM 332 C ASN A 80 26.351 17.070 0.966 1.00 0.00 C ATOM 333 O ASN A 80 26.615 17.782 1.936 1.00 0.00 O ATOM 334 CB ASN A 80 23.952 16.376 0.816 1.00 0.00 C ATOM 335 CG ASN A 80 22.567 16.965 0.629 1.00 0.00 C ATOM 336 OD1 ASN A 80 22.349 18.153 0.867 1.00 0.00 O ATOM 337 ND2 ASN A 80 21.624 16.134 0.202 1.00 0.00 N ATOM 0 H ASN A 80 24.687 16.107 -1.523 1.00 0.00 H new ATOM 0 HA ASN A 80 24.747 18.295 0.265 1.00 0.00 H new ATOM 0 HB2 ASN A 80 23.986 15.384 0.366 1.00 0.00 H new ATOM 0 HB3 ASN A 80 24.150 16.250 1.881 1.00 0.00 H new ATOM 0 HD21 ASN A 80 20.673 16.473 0.058 1.00 0.00 H new ATOM 0 HD22 ASN A 80 21.851 15.157 0.017 1.00 0.00 H new ATOM 344 N ILE A 81 27.164 16.115 0.527 1.00 0.00 N ATOM 345 CA ILE A 81 28.442 15.844 1.172 1.00 0.00 C ATOM 346 C ILE A 81 29.403 17.016 1.004 1.00 0.00 C ATOM 347 O ILE A 81 29.913 17.561 1.983 1.00 0.00 O ATOM 348 CB ILE A 81 29.099 14.571 0.607 1.00 0.00 C ATOM 349 CG1 ILE A 81 28.310 13.331 1.034 1.00 0.00 C ATOM 350 CG2 ILE A 81 30.545 14.470 1.070 1.00 0.00 C ATOM 351 CD1 ILE A 81 28.437 12.172 0.069 1.00 0.00 C ATOM 0 H ILE A 81 26.960 15.516 -0.273 1.00 0.00 H new ATOM 0 HA ILE A 81 28.235 15.697 2.232 1.00 0.00 H new ATOM 0 HB ILE A 81 29.090 14.628 -0.481 1.00 0.00 H new ATOM 0 HG12 ILE A 81 28.653 13.013 2.018 1.00 0.00 H new ATOM 0 HG13 ILE A 81 27.258 13.596 1.134 1.00 0.00 H new ATOM 0 HG21 ILE A 81 30.995 13.565 0.662 1.00 0.00 H new ATOM 0 HG22 ILE A 81 31.100 15.341 0.721 1.00 0.00 H new ATOM 0 HG23 ILE A 81 30.577 14.432 2.159 1.00 0.00 H new ATOM 0 HD11 ILE A 81 27.852 11.328 0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 81 28.066 12.472 -0.911 1.00 0.00 H new ATOM 0 HD13 ILE A 81 29.484 11.880 -0.013 1.00 0.00 H new ATOM 363 N LYS A 82 29.645 17.401 -0.244 1.00 0.00 N ATOM 364 CA LYS A 82 30.542 18.511 -0.543 1.00 0.00 C ATOM 365 C LYS A 82 29.934 19.837 -0.098 1.00 0.00 C ATOM 366 O LYS A 82 30.649 20.812 0.136 1.00 0.00 O ATOM 367 CB LYS A 82 30.849 18.556 -2.042 1.00 0.00 C ATOM 368 CG LYS A 82 29.609 18.507 -2.918 1.00 0.00 C ATOM 369 CD LYS A 82 29.754 17.485 -4.033 1.00 0.00 C ATOM 370 CE LYS A 82 30.891 17.847 -4.977 1.00 0.00 C ATOM 371 NZ LYS A 82 30.637 19.133 -5.682 1.00 0.00 N ATOM 0 H LYS A 82 29.232 16.960 -1.066 1.00 0.00 H new ATOM 0 HA LYS A 82 31.470 18.354 0.007 1.00 0.00 H new ATOM 0 HB2 LYS A 82 31.404 19.467 -2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 82 31.497 17.718 -2.297 1.00 0.00 H new ATOM 0 HG2 LYS A 82 28.741 18.260 -2.307 1.00 0.00 H new ATOM 0 HG3 LYS A 82 29.427 19.492 -3.348 1.00 0.00 H new ATOM 0 HD2 LYS A 82 29.936 16.500 -3.604 1.00 0.00 H new ATOM 0 HD3 LYS A 82 28.821 17.421 -4.593 1.00 0.00 H new ATOM 0 HE2 LYS A 82 31.822 17.919 -4.414 1.00 0.00 H new ATOM 0 HE3 LYS A 82 31.022 17.051 -5.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 31.322 19.246 -6.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 29.672 19.131 -6.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 30.739 19.922 -5.012 1.00 0.00 H new ATOM 385 N LEU A 83 28.611 19.866 0.020 1.00 0.00 N ATOM 386 CA LEU A 83 27.907 21.073 0.440 1.00 0.00 C ATOM 387 C LEU A 83 27.910 21.205 1.959 1.00 0.00 C ATOM 388 O LEU A 83 27.895 22.312 2.495 1.00 0.00 O ATOM 389 CB LEU A 83 26.468 21.053 -0.079 1.00 0.00 C ATOM 390 CG LEU A 83 26.276 21.456 -1.541 1.00 0.00 C ATOM 391 CD1 LEU A 83 24.891 21.056 -2.027 1.00 0.00 C ATOM 392 CD2 LEU A 83 26.493 22.952 -1.716 1.00 0.00 C ATOM 0 H LEU A 83 28.004 19.068 -0.169 1.00 0.00 H new ATOM 0 HA LEU A 83 28.427 21.933 0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 83 26.069 20.048 0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 83 25.870 21.719 0.542 1.00 0.00 H new ATOM 0 HG LEU A 83 27.017 20.930 -2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 83 24.772 21.351 -3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 83 24.773 19.976 -1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 83 24.135 21.554 -1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 83 26.352 23.220 -2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 83 25.777 23.498 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 83 27.506 23.211 -1.408 1.00 0.00 H new ATOM 404 N GLU A 84 27.933 20.067 2.647 1.00 0.00 N ATOM 405 CA GLU A 84 27.941 20.057 4.105 1.00 0.00 C ATOM 406 C GLU A 84 29.338 19.757 4.640 1.00 0.00 C ATOM 407 O GLU A 84 30.029 20.646 5.138 1.00 0.00 O ATOM 408 CB GLU A 84 26.947 19.021 4.635 1.00 0.00 C ATOM 409 CG GLU A 84 25.493 19.402 4.410 1.00 0.00 C ATOM 410 CD GLU A 84 24.837 19.963 5.656 1.00 0.00 C ATOM 411 OE1 GLU A 84 25.270 21.039 6.120 1.00 0.00 O ATOM 412 OE2 GLU A 84 23.892 19.328 6.167 1.00 0.00 O ATOM 0 H GLU A 84 27.946 19.142 2.218 1.00 0.00 H new ATOM 0 HA GLU A 84 27.643 21.047 4.451 1.00 0.00 H new ATOM 0 HB2 GLU A 84 27.142 18.063 4.153 1.00 0.00 H new ATOM 0 HB3 GLU A 84 27.116 18.881 5.703 1.00 0.00 H new ATOM 0 HG2 GLU A 84 25.434 20.140 3.610 1.00 0.00 H new ATOM 0 HG3 GLU A 84 24.939 18.525 4.076 1.00 0.00 H new ATOM 419 N LEU A 85 29.748 18.497 4.534 1.00 0.00 N ATOM 420 CA LEU A 85 31.062 18.078 5.007 1.00 0.00 C ATOM 421 C LEU A 85 32.164 18.919 4.370 1.00 0.00 C ATOM 422 O LEU A 85 31.934 19.612 3.380 1.00 0.00 O ATOM 423 CB LEU A 85 31.290 16.598 4.695 1.00 0.00 C ATOM 424 CG LEU A 85 30.562 15.602 5.599 1.00 0.00 C ATOM 425 CD1 LEU A 85 30.852 15.898 7.062 1.00 0.00 C ATOM 426 CD2 LEU A 85 29.064 15.637 5.332 1.00 0.00 C ATOM 0 H LEU A 85 29.189 17.749 4.125 1.00 0.00 H new ATOM 0 HA LEU A 85 31.096 18.225 6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 85 30.985 16.413 3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 85 32.360 16.396 4.752 1.00 0.00 H new ATOM 0 HG LEU A 85 30.928 14.600 5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 85 30.326 15.179 7.690 1.00 0.00 H new ATOM 0 HD12 LEU A 85 31.924 15.821 7.243 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.514 16.906 7.303 1.00 0.00 H new ATOM 0 HD21 LEU A 85 28.561 14.922 5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 85 28.683 16.639 5.530 1.00 0.00 H new ATOM 0 HD23 LEU A 85 28.874 15.375 4.291 1.00 0.00 H new ATOM 438 N GLU A 86 33.361 18.850 4.945 1.00 0.00 N ATOM 439 CA GLU A 86 34.498 19.605 4.431 1.00 0.00 C ATOM 440 C GLU A 86 35.735 19.380 5.296 1.00 0.00 C ATOM 441 O GLU A 86 35.682 19.505 6.519 1.00 0.00 O ATOM 442 CB GLU A 86 34.165 21.097 4.376 1.00 0.00 C ATOM 443 CG GLU A 86 33.487 21.617 5.632 1.00 0.00 C ATOM 444 CD GLU A 86 33.196 23.103 5.566 1.00 0.00 C ATOM 445 OE1 GLU A 86 34.158 23.893 5.469 1.00 0.00 O ATOM 446 OE2 GLU A 86 32.005 23.477 5.612 1.00 0.00 O ATOM 0 H GLU A 86 33.568 18.280 5.765 1.00 0.00 H new ATOM 0 HA GLU A 86 34.711 19.251 3.422 1.00 0.00 H new ATOM 0 HB2 GLU A 86 35.084 21.660 4.210 1.00 0.00 H new ATOM 0 HB3 GLU A 86 33.517 21.285 3.520 1.00 0.00 H new ATOM 0 HG2 GLU A 86 32.554 21.075 5.788 1.00 0.00 H new ATOM 0 HG3 GLU A 86 34.122 21.413 6.494 1.00 0.00 H new ATOM 453 N GLY A 87 36.849 19.047 4.651 1.00 0.00 N ATOM 454 CA GLY A 87 38.083 18.809 5.376 1.00 0.00 C ATOM 455 C GLY A 87 38.134 17.427 5.998 1.00 0.00 C ATOM 456 O GLY A 87 37.601 17.208 7.086 1.00 0.00 O ATOM 0 H GLY A 87 36.919 18.938 3.639 1.00 0.00 H new ATOM 0 HA2 GLY A 87 38.928 18.930 4.698 1.00 0.00 H new ATOM 0 HA3 GLY A 87 38.192 19.560 6.158 1.00 0.00 H new ATOM 460 N LYS A 88 38.774 16.491 5.305 1.00 0.00 N ATOM 461 CA LYS A 88 38.892 15.123 5.795 1.00 0.00 C ATOM 462 C LYS A 88 37.527 14.567 6.190 1.00 0.00 C ATOM 463 O LYS A 88 37.426 13.717 7.074 1.00 0.00 O ATOM 464 CB LYS A 88 39.843 15.068 6.993 1.00 0.00 C ATOM 465 CG LYS A 88 40.999 14.101 6.807 1.00 0.00 C ATOM 466 CD LYS A 88 40.996 13.017 7.872 1.00 0.00 C ATOM 467 CE LYS A 88 41.527 11.700 7.328 1.00 0.00 C ATOM 468 NZ LYS A 88 40.697 11.190 6.202 1.00 0.00 N ATOM 0 H LYS A 88 39.219 16.655 4.402 1.00 0.00 H new ATOM 0 HA LYS A 88 39.296 14.509 4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 88 40.241 16.066 7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 88 39.279 14.781 7.881 1.00 0.00 H new ATOM 0 HG2 LYS A 88 40.936 13.643 5.820 1.00 0.00 H new ATOM 0 HG3 LYS A 88 41.941 14.647 6.845 1.00 0.00 H new ATOM 0 HD2 LYS A 88 41.606 13.335 8.718 1.00 0.00 H new ATOM 0 HD3 LYS A 88 39.982 12.875 8.246 1.00 0.00 H new ATOM 0 HE2 LYS A 88 42.554 11.835 6.990 1.00 0.00 H new ATOM 0 HE3 LYS A 88 41.549 10.959 8.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 40.380 10.223 6.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 39.869 11.806 6.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 41.262 11.185 5.329 1.00 0.00 H new ATOM 482 N GLU A 89 36.482 15.050 5.526 1.00 0.00 N ATOM 483 CA GLU A 89 35.124 14.600 5.809 1.00 0.00 C ATOM 484 C GLU A 89 34.354 14.348 4.516 1.00 0.00 C ATOM 485 O GLU A 89 33.865 13.244 4.278 1.00 0.00 O ATOM 486 CB GLU A 89 34.386 15.635 6.661 1.00 0.00 C ATOM 487 CG GLU A 89 35.082 15.949 7.975 1.00 0.00 C ATOM 488 CD GLU A 89 34.255 15.553 9.183 1.00 0.00 C ATOM 489 OE1 GLU A 89 33.025 15.767 9.156 1.00 0.00 O ATOM 490 OE2 GLU A 89 34.839 15.030 10.155 1.00 0.00 O ATOM 0 H GLU A 89 36.549 15.752 4.789 1.00 0.00 H new ATOM 0 HA GLU A 89 35.188 13.663 6.363 1.00 0.00 H new ATOM 0 HB2 GLU A 89 34.279 16.556 6.087 1.00 0.00 H new ATOM 0 HB3 GLU A 89 33.380 15.271 6.870 1.00 0.00 H new ATOM 0 HG2 GLU A 89 36.039 15.428 8.008 1.00 0.00 H new ATOM 0 HG3 GLU A 89 35.298 17.016 8.021 1.00 0.00 H new ATOM 497 N GLN A 90 34.252 15.380 3.685 1.00 0.00 N ATOM 498 CA GLN A 90 33.540 15.272 2.416 1.00 0.00 C ATOM 499 C GLN A 90 34.341 14.449 1.412 1.00 0.00 C ATOM 500 O GLN A 90 33.771 13.770 0.559 1.00 0.00 O ATOM 501 CB GLN A 90 33.258 16.662 1.845 1.00 0.00 C ATOM 502 CG GLN A 90 34.508 17.397 1.388 1.00 0.00 C ATOM 503 CD GLN A 90 34.192 18.631 0.566 1.00 0.00 C ATOM 504 OE1 GLN A 90 34.540 18.713 -0.612 1.00 0.00 O ATOM 505 NE2 GLN A 90 33.528 19.601 1.185 1.00 0.00 N ATOM 0 H GLN A 90 34.653 16.300 3.867 1.00 0.00 H new ATOM 0 HA GLN A 90 32.593 14.765 2.601 1.00 0.00 H new ATOM 0 HB2 GLN A 90 32.574 16.567 1.002 1.00 0.00 H new ATOM 0 HB3 GLN A 90 32.751 17.261 2.602 1.00 0.00 H new ATOM 0 HG2 GLN A 90 35.094 17.687 2.260 1.00 0.00 H new ATOM 0 HG3 GLN A 90 35.127 16.721 0.798 1.00 0.00 H new ATOM 0 HE21 GLN A 90 33.259 19.491 2.163 1.00 0.00 H new ATOM 0 HE22 GLN A 90 33.287 20.455 0.683 1.00 0.00 H new ATOM 514 N GLU A 91 35.664 14.516 1.521 1.00 0.00 N ATOM 515 CA GLU A 91 36.542 13.777 0.620 1.00 0.00 C ATOM 516 C GLU A 91 36.297 12.275 0.732 1.00 0.00 C ATOM 517 O GLU A 91 36.215 11.571 -0.275 1.00 0.00 O ATOM 518 CB GLU A 91 38.007 14.090 0.930 1.00 0.00 C ATOM 519 CG GLU A 91 38.355 13.977 2.405 1.00 0.00 C ATOM 520 CD GLU A 91 39.252 12.792 2.704 1.00 0.00 C ATOM 521 OE1 GLU A 91 39.002 11.703 2.146 1.00 0.00 O ATOM 522 OE2 GLU A 91 40.205 12.953 3.495 1.00 0.00 O ATOM 0 H GLU A 91 36.151 15.073 2.223 1.00 0.00 H new ATOM 0 HA GLU A 91 36.319 14.089 -0.400 1.00 0.00 H new ATOM 0 HB2 GLU A 91 38.643 13.411 0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 91 38.234 15.100 0.588 1.00 0.00 H new ATOM 0 HG2 GLU A 91 38.849 14.893 2.729 1.00 0.00 H new ATOM 0 HG3 GLU A 91 37.437 13.888 2.985 1.00 0.00 H new ATOM 529 N LEU A 92 36.180 11.791 1.964 1.00 0.00 N ATOM 530 CA LEU A 92 35.945 10.372 2.209 1.00 0.00 C ATOM 531 C LEU A 92 34.576 9.949 1.685 1.00 0.00 C ATOM 532 O LEU A 92 34.462 8.993 0.919 1.00 0.00 O ATOM 533 CB LEU A 92 36.047 10.069 3.705 1.00 0.00 C ATOM 534 CG LEU A 92 37.395 10.371 4.360 1.00 0.00 C ATOM 535 CD1 LEU A 92 37.285 10.284 5.874 1.00 0.00 C ATOM 536 CD2 LEU A 92 38.464 9.418 3.845 1.00 0.00 C ATOM 0 H LEU A 92 36.244 12.360 2.808 1.00 0.00 H new ATOM 0 HA LEU A 92 36.709 9.805 1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 92 35.277 10.640 4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 92 35.819 9.014 3.858 1.00 0.00 H new ATOM 0 HG LEU A 92 37.685 11.388 4.096 1.00 0.00 H new ATOM 0 HD11 LEU A 92 38.254 10.502 6.322 1.00 0.00 H new ATOM 0 HD12 LEU A 92 36.551 11.008 6.228 1.00 0.00 H new ATOM 0 HD13 LEU A 92 36.971 9.280 6.159 1.00 0.00 H new ATOM 0 HD21 LEU A 92 39.417 9.648 4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 92 38.180 8.392 4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 92 38.562 9.531 2.765 1.00 0.00 H new ATOM 548 N ALA A 93 33.540 10.669 2.103 1.00 0.00 N ATOM 549 CA ALA A 93 32.179 10.371 1.673 1.00 0.00 C ATOM 550 C ALA A 93 32.074 10.363 0.151 1.00 0.00 C ATOM 551 O ALA A 93 31.619 9.386 -0.444 1.00 0.00 O ATOM 552 CB ALA A 93 31.206 11.378 2.266 1.00 0.00 C ATOM 0 H ALA A 93 33.617 11.463 2.739 1.00 0.00 H new ATOM 0 HA ALA A 93 31.919 9.376 2.034 1.00 0.00 H new ATOM 0 HB1 ALA A 93 30.194 11.143 1.937 1.00 0.00 H new ATOM 0 HB2 ALA A 93 31.253 11.332 3.354 1.00 0.00 H new ATOM 0 HB3 ALA A 93 31.473 12.381 1.933 1.00 0.00 H new ATOM 558 N LEU A 94 32.495 11.458 -0.472 1.00 0.00 N ATOM 559 CA LEU A 94 32.447 11.577 -1.925 1.00 0.00 C ATOM 560 C LEU A 94 33.291 10.493 -2.589 1.00 0.00 C ATOM 561 O LEU A 94 32.896 9.922 -3.604 1.00 0.00 O ATOM 562 CB LEU A 94 32.939 12.959 -2.359 1.00 0.00 C ATOM 563 CG LEU A 94 31.875 14.054 -2.442 1.00 0.00 C ATOM 564 CD1 LEU A 94 32.418 15.368 -1.900 1.00 0.00 C ATOM 565 CD2 LEU A 94 31.394 14.224 -3.875 1.00 0.00 C ATOM 0 H LEU A 94 32.873 12.276 0.006 1.00 0.00 H new ATOM 0 HA LEU A 94 31.412 11.450 -2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 94 33.712 13.283 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 94 33.411 12.864 -3.337 1.00 0.00 H new ATOM 0 HG LEU A 94 31.025 13.755 -1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 94 31.647 16.136 -1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 94 32.711 15.238 -0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 94 33.285 15.673 -2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 94 30.637 15.007 -3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 94 32.235 14.500 -4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 94 30.964 13.287 -4.228 1.00 0.00 H new ATOM 577 N GLU A 95 34.453 10.215 -2.006 1.00 0.00 N ATOM 578 CA GLU A 95 35.351 9.199 -2.541 1.00 0.00 C ATOM 579 C GLU A 95 34.627 7.865 -2.705 1.00 0.00 C ATOM 580 O GLU A 95 34.573 7.306 -3.801 1.00 0.00 O ATOM 581 CB GLU A 95 36.563 9.024 -1.623 1.00 0.00 C ATOM 582 CG GLU A 95 37.542 7.966 -2.104 1.00 0.00 C ATOM 583 CD GLU A 95 37.471 6.691 -1.287 1.00 0.00 C ATOM 584 OE1 GLU A 95 38.190 6.597 -0.270 1.00 0.00 O ATOM 585 OE2 GLU A 95 36.696 5.786 -1.664 1.00 0.00 O ATOM 0 H GLU A 95 34.794 10.679 -1.164 1.00 0.00 H new ATOM 0 HA GLU A 95 35.691 9.531 -3.522 1.00 0.00 H new ATOM 0 HB2 GLU A 95 37.084 9.977 -1.537 1.00 0.00 H new ATOM 0 HB3 GLU A 95 36.217 8.759 -0.624 1.00 0.00 H new ATOM 0 HG2 GLU A 95 37.337 7.735 -3.149 1.00 0.00 H new ATOM 0 HG3 GLU A 95 38.555 8.366 -2.059 1.00 0.00 H new ATOM 592 N LEU A 96 34.073 7.361 -1.608 1.00 0.00 N ATOM 593 CA LEU A 96 33.352 6.093 -1.629 1.00 0.00 C ATOM 594 C LEU A 96 32.137 6.172 -2.548 1.00 0.00 C ATOM 595 O LEU A 96 31.800 5.205 -3.233 1.00 0.00 O ATOM 596 CB LEU A 96 32.912 5.711 -0.214 1.00 0.00 C ATOM 597 CG LEU A 96 32.250 4.340 -0.065 1.00 0.00 C ATOM 598 CD1 LEU A 96 33.158 3.390 0.701 1.00 0.00 C ATOM 599 CD2 LEU A 96 30.904 4.471 0.632 1.00 0.00 C ATOM 0 H LEU A 96 34.109 7.811 -0.693 1.00 0.00 H new ATOM 0 HA LEU A 96 34.025 5.327 -2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 96 33.785 5.744 0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 96 32.217 6.469 0.146 1.00 0.00 H new ATOM 0 HG LEU A 96 32.083 3.928 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 96 32.671 2.420 0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 96 34.098 3.272 0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 96 33.356 3.797 1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 96 30.447 3.486 0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 96 31.048 4.904 1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 96 30.251 5.117 0.045 1.00 0.00 H new ATOM 611 N LEU A 97 31.485 7.329 -2.559 1.00 0.00 N ATOM 612 CA LEU A 97 30.309 7.536 -3.397 1.00 0.00 C ATOM 613 C LEU A 97 30.654 7.366 -4.873 1.00 0.00 C ATOM 614 O LEU A 97 29.952 6.676 -5.609 1.00 0.00 O ATOM 615 CB LEU A 97 29.724 8.928 -3.154 1.00 0.00 C ATOM 616 CG LEU A 97 28.212 9.063 -3.338 1.00 0.00 C ATOM 617 CD1 LEU A 97 27.719 10.380 -2.758 1.00 0.00 C ATOM 618 CD2 LEU A 97 27.842 8.954 -4.810 1.00 0.00 C ATOM 0 H LEU A 97 31.750 8.138 -1.997 1.00 0.00 H new ATOM 0 HA LEU A 97 29.566 6.785 -3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 97 29.975 9.233 -2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 97 30.216 9.629 -3.828 1.00 0.00 H new ATOM 0 HG LEU A 97 27.726 8.249 -2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 97 26.641 10.458 -2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 97 27.950 10.418 -1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 97 28.212 11.209 -3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 97 26.762 9.052 -4.922 1.00 0.00 H new ATOM 0 HD22 LEU A 97 28.339 9.747 -5.370 1.00 0.00 H new ATOM 0 HD23 LEU A 97 28.160 7.985 -5.194 1.00 0.00 H new ATOM 630 N ASN A 98 31.742 8.001 -5.297 1.00 0.00 N ATOM 631 CA ASN A 98 32.183 7.919 -6.685 1.00 0.00 C ATOM 632 C ASN A 98 32.855 6.578 -6.964 1.00 0.00 C ATOM 633 O ASN A 98 32.814 6.073 -8.086 1.00 0.00 O ATOM 634 CB ASN A 98 33.148 9.062 -7.004 1.00 0.00 C ATOM 635 CG ASN A 98 32.425 10.354 -7.334 1.00 0.00 C ATOM 636 OD1 ASN A 98 32.567 11.355 -6.632 1.00 0.00 O ATOM 637 ND2 ASN A 98 31.644 10.336 -8.408 1.00 0.00 N ATOM 0 H ASN A 98 32.334 8.578 -4.700 1.00 0.00 H new ATOM 0 HA ASN A 98 31.305 8.005 -7.325 1.00 0.00 H new ATOM 0 HB2 ASN A 98 33.808 9.225 -6.152 1.00 0.00 H new ATOM 0 HB3 ASN A 98 33.779 8.777 -7.846 1.00 0.00 H new ATOM 0 HD21 ASN A 98 31.132 11.175 -8.680 1.00 0.00 H new ATOM 0 HD22 ASN A 98 31.556 9.483 -8.961 1.00 0.00 H new ATOM 644 N TYR A 99 33.473 6.007 -5.936 1.00 0.00 N ATOM 645 CA TYR A 99 34.156 4.726 -6.071 1.00 0.00 C ATOM 646 C TYR A 99 33.160 3.604 -6.348 1.00 0.00 C ATOM 647 O TYR A 99 33.428 2.702 -7.143 1.00 0.00 O ATOM 648 CB TYR A 99 34.953 4.413 -4.803 1.00 0.00 C ATOM 649 CG TYR A 99 36.417 4.778 -4.904 1.00 0.00 C ATOM 650 CD1 TYR A 99 36.811 6.060 -5.265 1.00 0.00 C ATOM 651 CD2 TYR A 99 37.407 3.839 -4.638 1.00 0.00 C ATOM 652 CE1 TYR A 99 38.147 6.398 -5.358 1.00 0.00 C ATOM 653 CE2 TYR A 99 38.745 4.168 -4.727 1.00 0.00 C ATOM 654 CZ TYR A 99 39.110 5.448 -5.088 1.00 0.00 C ATOM 655 OH TYR A 99 40.443 5.780 -5.180 1.00 0.00 O ATOM 0 H TYR A 99 33.515 6.411 -5.000 1.00 0.00 H new ATOM 0 HA TYR A 99 34.841 4.796 -6.916 1.00 0.00 H new ATOM 0 HB2 TYR A 99 34.510 4.949 -3.964 1.00 0.00 H new ATOM 0 HB3 TYR A 99 34.867 3.349 -4.583 1.00 0.00 H new ATOM 0 HD1 TYR A 99 36.059 6.806 -5.477 1.00 0.00 H new ATOM 0 HD2 TYR A 99 37.125 2.835 -4.357 1.00 0.00 H new ATOM 0 HE1 TYR A 99 38.436 7.400 -5.640 1.00 0.00 H new ATOM 0 HE2 TYR A 99 39.502 3.427 -4.515 1.00 0.00 H new ATOM 0 HH TYR A 99 40.991 4.999 -4.957 1.00 0.00 H new ATOM 665 N LEU A 100 32.009 3.668 -5.689 1.00 0.00 N ATOM 666 CA LEU A 100 30.970 2.658 -5.863 1.00 0.00 C ATOM 667 C LEU A 100 29.585 3.257 -5.637 1.00 0.00 C ATOM 668 O LEU A 100 29.184 3.504 -4.500 1.00 0.00 O ATOM 669 CB LEU A 100 31.198 1.492 -4.900 1.00 0.00 C ATOM 670 CG LEU A 100 30.136 0.391 -4.916 1.00 0.00 C ATOM 671 CD1 LEU A 100 29.945 -0.146 -6.325 1.00 0.00 C ATOM 672 CD2 LEU A 100 30.517 -0.731 -3.961 1.00 0.00 C ATOM 0 H LEU A 100 31.771 4.408 -5.029 1.00 0.00 H new ATOM 0 HA LEU A 100 31.023 2.290 -6.888 1.00 0.00 H new ATOM 0 HB2 LEU A 100 32.164 1.041 -5.129 1.00 0.00 H new ATOM 0 HB3 LEU A 100 31.264 1.891 -3.888 1.00 0.00 H new ATOM 0 HG LEU A 100 29.191 0.819 -4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 100 29.186 -0.928 -6.316 1.00 0.00 H new ATOM 0 HD12 LEU A 100 29.625 0.663 -6.982 1.00 0.00 H new ATOM 0 HD13 LEU A 100 30.887 -0.558 -6.688 1.00 0.00 H new ATOM 0 HD21 LEU A 100 29.750 -1.505 -3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 100 31.473 -1.157 -4.264 1.00 0.00 H new ATOM 0 HD23 LEU A 100 30.601 -0.335 -2.949 1.00 0.00 H new ATOM 684 N ASN A 101 28.859 3.485 -6.726 1.00 0.00 N ATOM 685 CA ASN A 101 27.519 4.053 -6.646 1.00 0.00 C ATOM 686 C ASN A 101 26.613 3.189 -5.774 1.00 0.00 C ATOM 687 O ASN A 101 25.703 3.693 -5.117 1.00 0.00 O ATOM 688 CB ASN A 101 26.916 4.191 -8.046 1.00 0.00 C ATOM 689 CG ASN A 101 27.198 2.983 -8.918 1.00 0.00 C ATOM 690 OD1 ASN A 101 26.884 1.851 -8.551 1.00 0.00 O ATOM 691 ND2 ASN A 101 27.794 3.220 -10.081 1.00 0.00 N ATOM 0 H ASN A 101 29.176 3.285 -7.675 1.00 0.00 H new ATOM 0 HA ASN A 101 27.597 5.041 -6.192 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.838 4.332 -7.962 1.00 0.00 H new ATOM 0 HB3 ASN A 101 27.318 5.084 -8.525 1.00 0.00 H new ATOM 0 HD21 ASN A 101 28.009 2.447 -10.711 1.00 0.00 H new ATOM 0 HD22 ASN A 101 28.036 4.175 -10.345 1.00 0.00 H new ATOM 698 N GLU A 102 26.871 1.885 -5.772 1.00 0.00 N ATOM 699 CA GLU A 102 26.078 0.951 -4.981 1.00 0.00 C ATOM 700 C GLU A 102 26.384 1.102 -3.493 1.00 0.00 C ATOM 701 O GLU A 102 25.662 0.582 -2.643 1.00 0.00 O ATOM 702 CB GLU A 102 26.351 -0.488 -5.425 1.00 0.00 C ATOM 703 CG GLU A 102 25.526 -0.921 -6.625 1.00 0.00 C ATOM 704 CD GLU A 102 25.592 -2.416 -6.869 1.00 0.00 C ATOM 705 OE1 GLU A 102 25.326 -3.183 -5.921 1.00 0.00 O ATOM 706 OE2 GLU A 102 25.909 -2.818 -8.008 1.00 0.00 O ATOM 0 H GLU A 102 27.622 1.452 -6.309 1.00 0.00 H new ATOM 0 HA GLU A 102 25.025 1.180 -5.143 1.00 0.00 H new ATOM 0 HB2 GLU A 102 27.409 -0.590 -5.666 1.00 0.00 H new ATOM 0 HB3 GLU A 102 26.147 -1.161 -4.592 1.00 0.00 H new ATOM 0 HG2 GLU A 102 24.488 -0.627 -6.472 1.00 0.00 H new ATOM 0 HG3 GLU A 102 25.879 -0.396 -7.513 1.00 0.00 H new ATOM 713 N LYS A 103 27.461 1.818 -3.187 1.00 0.00 N ATOM 714 CA LYS A 103 27.864 2.040 -1.803 1.00 0.00 C ATOM 715 C LYS A 103 27.890 3.530 -1.476 1.00 0.00 C ATOM 716 O LYS A 103 28.872 4.219 -1.750 1.00 0.00 O ATOM 717 CB LYS A 103 29.243 1.428 -1.548 1.00 0.00 C ATOM 718 CG LYS A 103 29.188 0.002 -1.027 1.00 0.00 C ATOM 719 CD LYS A 103 30.495 -0.401 -0.366 1.00 0.00 C ATOM 720 CE LYS A 103 30.281 -1.489 0.675 1.00 0.00 C ATOM 721 NZ LYS A 103 31.500 -2.323 0.865 1.00 0.00 N ATOM 0 H LYS A 103 28.070 2.254 -3.879 1.00 0.00 H new ATOM 0 HA LYS A 103 27.132 1.556 -1.156 1.00 0.00 H new ATOM 0 HB2 LYS A 103 29.816 1.446 -2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 103 29.779 2.048 -0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 103 28.372 -0.093 -0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 103 28.970 -0.679 -1.850 1.00 0.00 H new ATOM 0 HD2 LYS A 103 31.194 -0.754 -1.124 1.00 0.00 H new ATOM 0 HD3 LYS A 103 30.950 0.470 0.105 1.00 0.00 H new ATOM 0 HE2 LYS A 103 30.002 -1.033 1.625 1.00 0.00 H new ATOM 0 HE3 LYS A 103 29.450 -2.125 0.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 31.273 -3.319 0.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 32.244 -2.004 0.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 31.835 -2.229 1.845 1.00 0.00 H new ATOM 735 N GLY A 104 26.803 4.021 -0.887 1.00 0.00 N ATOM 736 CA GLY A 104 26.723 5.425 -0.531 1.00 0.00 C ATOM 737 C GLY A 104 25.363 5.807 0.018 1.00 0.00 C ATOM 738 O GLY A 104 25.153 5.808 1.231 1.00 0.00 O ATOM 0 H GLY A 104 25.977 3.471 -0.650 1.00 0.00 H new ATOM 0 HA2 GLY A 104 27.488 5.653 0.211 1.00 0.00 H new ATOM 0 HA3 GLY A 104 26.940 6.032 -1.410 1.00 0.00 H new ATOM 742 N PHE A 105 24.436 6.135 -0.877 1.00 0.00 N ATOM 743 CA PHE A 105 23.089 6.524 -0.475 1.00 0.00 C ATOM 744 C PHE A 105 22.498 5.509 0.499 1.00 0.00 C ATOM 745 O PHE A 105 22.006 5.872 1.569 1.00 0.00 O ATOM 746 CB PHE A 105 22.186 6.655 -1.703 1.00 0.00 C ATOM 747 CG PHE A 105 20.724 6.729 -1.366 1.00 0.00 C ATOM 748 CD1 PHE A 105 20.254 7.672 -0.466 1.00 0.00 C ATOM 749 CD2 PHE A 105 19.820 5.856 -1.950 1.00 0.00 C ATOM 750 CE1 PHE A 105 18.909 7.741 -0.154 1.00 0.00 C ATOM 751 CE2 PHE A 105 18.474 5.921 -1.642 1.00 0.00 C ATOM 752 CZ PHE A 105 18.018 6.866 -0.744 1.00 0.00 C ATOM 0 H PHE A 105 24.593 6.139 -1.885 1.00 0.00 H new ATOM 0 HA PHE A 105 23.151 7.490 0.027 1.00 0.00 H new ATOM 0 HB2 PHE A 105 22.469 7.549 -2.258 1.00 0.00 H new ATOM 0 HB3 PHE A 105 22.356 5.804 -2.362 1.00 0.00 H new ATOM 0 HD1 PHE A 105 20.946 8.360 -0.003 1.00 0.00 H new ATOM 0 HD2 PHE A 105 20.171 5.116 -2.654 1.00 0.00 H new ATOM 0 HE1 PHE A 105 18.555 8.479 0.551 1.00 0.00 H new ATOM 0 HE2 PHE A 105 17.780 5.234 -2.103 1.00 0.00 H new ATOM 0 HZ PHE A 105 16.967 6.921 -0.504 1.00 0.00 H new ATOM 762 N LEU A 106 22.550 4.237 0.122 1.00 0.00 N ATOM 763 CA LEU A 106 22.019 3.168 0.961 1.00 0.00 C ATOM 764 C LEU A 106 23.077 2.098 1.213 1.00 0.00 C ATOM 765 O LEU A 106 22.758 0.918 1.363 1.00 0.00 O ATOM 766 CB LEU A 106 20.789 2.540 0.304 1.00 0.00 C ATOM 767 CG LEU A 106 19.764 1.919 1.253 1.00 0.00 C ATOM 768 CD1 LEU A 106 18.936 3.002 1.927 1.00 0.00 C ATOM 769 CD2 LEU A 106 18.865 0.945 0.505 1.00 0.00 C ATOM 0 H LEU A 106 22.954 3.920 -0.759 1.00 0.00 H new ATOM 0 HA LEU A 106 21.730 3.601 1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 106 20.288 3.305 -0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 106 21.126 1.769 -0.389 1.00 0.00 H new ATOM 0 HG LEU A 106 20.300 1.367 2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 106 18.212 2.541 2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 106 19.592 3.660 2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 106 18.410 3.582 1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 106 18.142 0.513 1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 106 18.337 1.473 -0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 106 19.471 0.150 0.071 1.00 0.00 H new ATOM 781 N SER A 107 24.337 2.518 1.262 1.00 0.00 N ATOM 782 CA SER A 107 25.442 1.596 1.496 1.00 0.00 C ATOM 783 C SER A 107 25.190 0.750 2.740 1.00 0.00 C ATOM 784 O SER A 107 24.239 0.987 3.485 1.00 0.00 O ATOM 785 CB SER A 107 26.754 2.367 1.646 1.00 0.00 C ATOM 786 OG SER A 107 26.513 3.739 1.905 1.00 0.00 O ATOM 0 H SER A 107 24.618 3.491 1.143 1.00 0.00 H new ATOM 0 HA SER A 107 25.516 0.931 0.635 1.00 0.00 H new ATOM 0 HB2 SER A 107 27.341 1.938 2.458 1.00 0.00 H new ATOM 0 HB3 SER A 107 27.346 2.264 0.737 1.00 0.00 H new ATOM 0 HG SER A 107 27.368 4.209 1.998 1.00 0.00 H new ATOM 792 N LYS A 108 26.051 -0.238 2.960 1.00 0.00 N ATOM 793 CA LYS A 108 25.925 -1.120 4.114 1.00 0.00 C ATOM 794 C LYS A 108 26.125 -0.347 5.414 1.00 0.00 C ATOM 795 O LYS A 108 26.036 0.880 5.437 1.00 0.00 O ATOM 796 CB LYS A 108 26.942 -2.260 4.024 1.00 0.00 C ATOM 797 CG LYS A 108 26.981 -2.935 2.664 1.00 0.00 C ATOM 798 CD LYS A 108 25.621 -3.493 2.280 1.00 0.00 C ATOM 799 CE LYS A 108 25.078 -2.824 1.026 1.00 0.00 C ATOM 800 NZ LYS A 108 23.770 -3.402 0.611 1.00 0.00 N ATOM 0 H LYS A 108 26.844 -0.448 2.354 1.00 0.00 H new ATOM 0 HA LYS A 108 24.919 -1.538 4.112 1.00 0.00 H new ATOM 0 HB2 LYS A 108 27.933 -1.870 4.255 1.00 0.00 H new ATOM 0 HB3 LYS A 108 26.707 -3.006 4.784 1.00 0.00 H new ATOM 0 HG2 LYS A 108 27.307 -2.218 1.910 1.00 0.00 H new ATOM 0 HG3 LYS A 108 27.715 -3.740 2.677 1.00 0.00 H new ATOM 0 HD2 LYS A 108 25.701 -4.567 2.115 1.00 0.00 H new ATOM 0 HD3 LYS A 108 24.921 -3.348 3.103 1.00 0.00 H new ATOM 0 HE2 LYS A 108 24.962 -1.755 1.206 1.00 0.00 H new ATOM 0 HE3 LYS A 108 25.798 -2.935 0.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 23.434 -2.920 -0.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 23.885 -4.417 0.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 23.076 -3.274 1.375 1.00 0.00 H new ATOM 814 N SER A 109 26.396 -1.074 6.493 1.00 0.00 N ATOM 815 CA SER A 109 26.606 -0.456 7.798 1.00 0.00 C ATOM 816 C SER A 109 27.848 0.430 7.785 1.00 0.00 C ATOM 817 O SER A 109 28.709 0.300 6.915 1.00 0.00 O ATOM 818 CB SER A 109 26.743 -1.530 8.878 1.00 0.00 C ATOM 819 OG SER A 109 25.595 -2.359 8.922 1.00 0.00 O ATOM 0 H SER A 109 26.475 -2.091 6.490 1.00 0.00 H new ATOM 0 HA SER A 109 25.739 0.166 8.022 1.00 0.00 H new ATOM 0 HB2 SER A 109 27.626 -2.137 8.681 1.00 0.00 H new ATOM 0 HB3 SER A 109 26.891 -1.057 9.849 1.00 0.00 H new ATOM 0 HG SER A 109 25.708 -3.038 9.619 1.00 0.00 H new ATOM 825 N VAL A 110 27.933 1.333 8.757 1.00 0.00 N ATOM 826 CA VAL A 110 29.069 2.241 8.860 1.00 0.00 C ATOM 827 C VAL A 110 30.385 1.472 8.911 1.00 0.00 C ATOM 828 O VAL A 110 31.396 1.916 8.368 1.00 0.00 O ATOM 829 CB VAL A 110 28.962 3.135 10.110 1.00 0.00 C ATOM 830 CG1 VAL A 110 27.766 4.069 9.997 1.00 0.00 C ATOM 831 CG2 VAL A 110 28.867 2.284 11.367 1.00 0.00 C ATOM 0 H VAL A 110 27.228 1.455 9.484 1.00 0.00 H new ATOM 0 HA VAL A 110 29.053 2.870 7.970 1.00 0.00 H new ATOM 0 HB VAL A 110 29.864 3.744 10.179 1.00 0.00 H new ATOM 0 HG11 VAL A 110 27.706 4.693 10.889 1.00 0.00 H new ATOM 0 HG12 VAL A 110 27.881 4.703 9.118 1.00 0.00 H new ATOM 0 HG13 VAL A 110 26.853 3.481 9.903 1.00 0.00 H new ATOM 0 HG21 VAL A 110 28.792 2.932 12.240 1.00 0.00 H new ATOM 0 HG22 VAL A 110 27.983 1.648 11.310 1.00 0.00 H new ATOM 0 HG23 VAL A 110 29.757 1.661 11.453 1.00 0.00 H new ATOM 841 N GLU A 111 30.363 0.315 9.567 1.00 0.00 N ATOM 842 CA GLU A 111 31.555 -0.515 9.688 1.00 0.00 C ATOM 843 C GLU A 111 32.070 -0.932 8.314 1.00 0.00 C ATOM 844 O GLU A 111 33.278 -0.995 8.086 1.00 0.00 O ATOM 845 CB GLU A 111 31.255 -1.757 10.530 1.00 0.00 C ATOM 846 CG GLU A 111 30.784 -1.438 11.939 1.00 0.00 C ATOM 847 CD GLU A 111 30.631 -2.678 12.798 1.00 0.00 C ATOM 848 OE1 GLU A 111 31.493 -3.577 12.702 1.00 0.00 O ATOM 849 OE2 GLU A 111 29.650 -2.750 13.567 1.00 0.00 O ATOM 0 H GLU A 111 29.534 -0.067 10.022 1.00 0.00 H new ATOM 0 HA GLU A 111 32.327 0.074 10.183 1.00 0.00 H new ATOM 0 HB2 GLU A 111 30.492 -2.351 10.027 1.00 0.00 H new ATOM 0 HB3 GLU A 111 32.153 -2.373 10.587 1.00 0.00 H new ATOM 0 HG2 GLU A 111 31.495 -0.759 12.411 1.00 0.00 H new ATOM 0 HG3 GLU A 111 29.829 -0.915 11.889 1.00 0.00 H new ATOM 856 N GLU A 112 31.145 -1.215 7.402 1.00 0.00 N ATOM 857 CA GLU A 112 31.506 -1.627 6.051 1.00 0.00 C ATOM 858 C GLU A 112 32.250 -0.511 5.322 1.00 0.00 C ATOM 859 O GLU A 112 33.402 -0.677 4.922 1.00 0.00 O ATOM 860 CB GLU A 112 30.255 -2.021 5.262 1.00 0.00 C ATOM 861 CG GLU A 112 29.961 -3.511 5.293 1.00 0.00 C ATOM 862 CD GLU A 112 31.028 -4.332 4.596 1.00 0.00 C ATOM 863 OE1 GLU A 112 31.218 -4.144 3.376 1.00 0.00 O ATOM 864 OE2 GLU A 112 31.674 -5.161 5.270 1.00 0.00 O ATOM 0 H GLU A 112 30.141 -1.166 7.574 1.00 0.00 H new ATOM 0 HA GLU A 112 32.166 -2.491 6.127 1.00 0.00 H new ATOM 0 HB2 GLU A 112 29.397 -1.481 5.664 1.00 0.00 H new ATOM 0 HB3 GLU A 112 30.374 -1.704 4.226 1.00 0.00 H new ATOM 0 HG2 GLU A 112 29.875 -3.839 6.329 1.00 0.00 H new ATOM 0 HG3 GLU A 112 28.997 -3.697 4.819 1.00 0.00 H new ATOM 871 N ILE A 113 31.581 0.625 5.153 1.00 0.00 N ATOM 872 CA ILE A 113 32.178 1.768 4.474 1.00 0.00 C ATOM 873 C ILE A 113 33.514 2.147 5.105 1.00 0.00 C ATOM 874 O ILE A 113 34.464 2.498 4.406 1.00 0.00 O ATOM 875 CB ILE A 113 31.243 2.992 4.504 1.00 0.00 C ATOM 876 CG1 ILE A 113 29.994 2.727 3.661 1.00 0.00 C ATOM 877 CG2 ILE A 113 31.974 4.229 4.003 1.00 0.00 C ATOM 878 CD1 ILE A 113 28.700 2.985 4.402 1.00 0.00 C ATOM 0 H ILE A 113 30.626 0.778 5.477 1.00 0.00 H new ATOM 0 HA ILE A 113 32.340 1.470 3.438 1.00 0.00 H new ATOM 0 HB ILE A 113 30.933 3.169 5.534 1.00 0.00 H new ATOM 0 HG12 ILE A 113 30.026 3.356 2.771 1.00 0.00 H new ATOM 0 HG13 ILE A 113 30.008 1.692 3.320 1.00 0.00 H new ATOM 0 HG21 ILE A 113 31.300 5.086 4.030 1.00 0.00 H new ATOM 0 HG22 ILE A 113 32.836 4.425 4.640 1.00 0.00 H new ATOM 0 HG23 ILE A 113 32.310 4.064 2.979 1.00 0.00 H new ATOM 0 HD11 ILE A 113 27.856 2.777 3.744 1.00 0.00 H new ATOM 0 HD12 ILE A 113 28.646 2.337 5.277 1.00 0.00 H new ATOM 0 HD13 ILE A 113 28.664 4.027 4.719 1.00 0.00 H new ATOM 890 N SER A 114 33.578 2.071 6.430 1.00 0.00 N ATOM 891 CA SER A 114 34.797 2.409 7.157 1.00 0.00 C ATOM 892 C SER A 114 35.926 1.446 6.800 1.00 0.00 C ATOM 893 O SER A 114 37.035 1.867 6.473 1.00 0.00 O ATOM 894 CB SER A 114 34.542 2.377 8.665 1.00 0.00 C ATOM 895 OG SER A 114 35.615 1.755 9.350 1.00 0.00 O ATOM 0 H SER A 114 32.801 1.779 7.022 1.00 0.00 H new ATOM 0 HA SER A 114 35.096 3.416 6.868 1.00 0.00 H new ATOM 0 HB2 SER A 114 34.410 3.393 9.036 1.00 0.00 H new ATOM 0 HB3 SER A 114 33.616 1.840 8.869 1.00 0.00 H new ATOM 0 HG SER A 114 36.427 2.293 9.243 1.00 0.00 H new ATOM 901 N ASP A 115 35.634 0.152 6.866 1.00 0.00 N ATOM 902 CA ASP A 115 36.623 -0.872 6.549 1.00 0.00 C ATOM 903 C ASP A 115 37.052 -0.780 5.088 1.00 0.00 C ATOM 904 O ASP A 115 38.189 -1.100 4.743 1.00 0.00 O ATOM 905 CB ASP A 115 36.059 -2.264 6.841 1.00 0.00 C ATOM 906 CG ASP A 115 36.889 -3.023 7.857 1.00 0.00 C ATOM 907 OD1 ASP A 115 38.130 -2.885 7.832 1.00 0.00 O ATOM 908 OD2 ASP A 115 36.298 -3.755 8.678 1.00 0.00 O ATOM 0 H ASP A 115 34.721 -0.213 7.136 1.00 0.00 H new ATOM 0 HA ASP A 115 37.498 -0.704 7.177 1.00 0.00 H new ATOM 0 HB2 ASP A 115 35.037 -2.169 7.209 1.00 0.00 H new ATOM 0 HB3 ASP A 115 36.012 -2.836 5.914 1.00 0.00 H new ATOM 913 N VAL A 116 36.133 -0.341 4.233 1.00 0.00 N ATOM 914 CA VAL A 116 36.416 -0.206 2.809 1.00 0.00 C ATOM 915 C VAL A 116 37.263 1.031 2.532 1.00 0.00 C ATOM 916 O VAL A 116 38.106 1.031 1.633 1.00 0.00 O ATOM 917 CB VAL A 116 35.118 -0.121 1.985 1.00 0.00 C ATOM 918 CG1 VAL A 116 35.434 0.037 0.505 1.00 0.00 C ATOM 919 CG2 VAL A 116 34.254 -1.350 2.225 1.00 0.00 C ATOM 0 H VAL A 116 35.186 -0.073 4.502 1.00 0.00 H new ATOM 0 HA VAL A 116 36.970 -1.096 2.510 1.00 0.00 H new ATOM 0 HB VAL A 116 34.560 0.757 2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 116 34.504 0.095 -0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 116 36.010 0.949 0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 116 36.014 -0.820 0.163 1.00 0.00 H new ATOM 0 HG21 VAL A 116 33.341 -1.274 1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 116 34.803 -2.244 1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 116 33.998 -1.414 3.283 1.00 0.00 H new ATOM 929 N LEU A 117 37.035 2.084 3.309 1.00 0.00 N ATOM 930 CA LEU A 117 37.778 3.329 3.148 1.00 0.00 C ATOM 931 C LEU A 117 39.011 3.347 4.046 1.00 0.00 C ATOM 932 O LEU A 117 39.791 4.300 4.026 1.00 0.00 O ATOM 933 CB LEU A 117 36.882 4.526 3.468 1.00 0.00 C ATOM 934 CG LEU A 117 36.710 5.554 2.350 1.00 0.00 C ATOM 935 CD1 LEU A 117 36.285 4.872 1.059 1.00 0.00 C ATOM 936 CD2 LEU A 117 35.697 6.616 2.753 1.00 0.00 C ATOM 0 H LEU A 117 36.342 2.101 4.057 1.00 0.00 H new ATOM 0 HA LEU A 117 38.106 3.396 2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 117 35.896 4.152 3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 117 37.288 5.035 4.342 1.00 0.00 H new ATOM 0 HG LEU A 117 37.670 6.042 2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 117 36.167 5.619 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 117 37.045 4.150 0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 117 35.337 4.357 1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 117 35.587 7.339 1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 117 34.734 6.144 2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 117 36.043 7.126 3.652 1.00 0.00 H new ATOM 948 N ARG A 118 39.181 2.288 4.831 1.00 0.00 N ATOM 949 CA ARG A 118 40.319 2.183 5.736 1.00 0.00 C ATOM 950 C ARG A 118 40.324 3.331 6.740 1.00 0.00 C ATOM 951 O ARG A 118 41.351 3.631 7.351 1.00 0.00 O ATOM 952 CB ARG A 118 41.629 2.178 4.944 1.00 0.00 C ATOM 953 CG ARG A 118 41.691 1.099 3.876 1.00 0.00 C ATOM 954 CD ARG A 118 41.645 -0.293 4.488 1.00 0.00 C ATOM 955 NE ARG A 118 42.815 -0.564 5.319 1.00 0.00 N ATOM 956 CZ ARG A 118 44.000 -0.910 4.829 1.00 0.00 C ATOM 957 NH1 ARG A 118 44.172 -1.026 3.520 1.00 0.00 N ATOM 958 NH2 ARG A 118 45.017 -1.140 5.650 1.00 0.00 N ATOM 0 H ARG A 118 38.545 1.491 4.858 1.00 0.00 H new ATOM 0 HA ARG A 118 40.229 1.245 6.284 1.00 0.00 H new ATOM 0 HB2 ARG A 118 41.762 3.152 4.473 1.00 0.00 H new ATOM 0 HB3 ARG A 118 42.461 2.042 5.635 1.00 0.00 H new ATOM 0 HG2 ARG A 118 40.857 1.221 3.184 1.00 0.00 H new ATOM 0 HG3 ARG A 118 42.606 1.212 3.295 1.00 0.00 H new ATOM 0 HD2 ARG A 118 40.742 -0.395 5.089 1.00 0.00 H new ATOM 0 HD3 ARG A 118 41.585 -1.037 3.693 1.00 0.00 H new ATOM 0 HE ARG A 118 42.717 -0.483 6.331 1.00 0.00 H new ATOM 0 HH11 ARG A 118 43.393 -0.849 2.886 1.00 0.00 H new ATOM 0 HH12 ARG A 118 45.083 -1.292 3.147 1.00 0.00 H new ATOM 0 HH21 ARG A 118 44.889 -1.051 6.658 1.00 0.00 H new ATOM 0 HH22 ARG A 118 45.927 -1.406 5.273 1.00 0.00 H new ATOM 972 N CYS A 119 39.171 3.970 6.905 1.00 0.00 N ATOM 973 CA CYS A 119 39.042 5.087 7.835 1.00 0.00 C ATOM 974 C CYS A 119 38.228 4.683 9.060 1.00 0.00 C ATOM 975 O CYS A 119 37.555 3.652 9.059 1.00 0.00 O ATOM 976 CB CYS A 119 38.384 6.281 7.142 1.00 0.00 C ATOM 977 SG CYS A 119 39.107 7.879 7.580 1.00 0.00 S ATOM 0 H CYS A 119 38.312 3.734 6.407 1.00 0.00 H new ATOM 0 HA CYS A 119 40.042 5.372 8.163 1.00 0.00 H new ATOM 0 HB2 CYS A 119 38.455 6.146 6.063 1.00 0.00 H new ATOM 0 HB3 CYS A 119 37.323 6.293 7.392 1.00 0.00 H new ATOM 0 HG CYS A 119 38.162 8.705 7.919 1.00 0.00 H new ATOM 983 N SER A 120 38.297 5.502 10.105 1.00 0.00 N ATOM 984 CA SER A 120 37.571 5.227 11.340 1.00 0.00 C ATOM 985 C SER A 120 36.064 5.297 11.111 1.00 0.00 C ATOM 986 O SER A 120 35.580 6.119 10.333 1.00 0.00 O ATOM 987 CB SER A 120 37.979 6.222 12.428 1.00 0.00 C ATOM 988 OG SER A 120 39.367 6.138 12.701 1.00 0.00 O ATOM 0 H SER A 120 38.848 6.360 10.121 1.00 0.00 H new ATOM 0 HA SER A 120 37.825 4.218 11.665 1.00 0.00 H new ATOM 0 HB2 SER A 120 37.728 7.235 12.112 1.00 0.00 H new ATOM 0 HB3 SER A 120 37.413 6.023 13.338 1.00 0.00 H new ATOM 0 HG SER A 120 39.603 6.785 13.398 1.00 0.00 H new ATOM 994 N VAL A 121 35.327 4.428 11.795 1.00 0.00 N ATOM 995 CA VAL A 121 33.875 4.390 11.669 1.00 0.00 C ATOM 996 C VAL A 121 33.245 5.679 12.185 1.00 0.00 C ATOM 997 O VAL A 121 32.287 6.188 11.605 1.00 0.00 O ATOM 998 CB VAL A 121 33.275 3.196 12.434 1.00 0.00 C ATOM 999 CG1 VAL A 121 31.756 3.248 12.400 1.00 0.00 C ATOM 1000 CG2 VAL A 121 33.785 1.883 11.858 1.00 0.00 C ATOM 0 H VAL A 121 35.712 3.740 12.443 1.00 0.00 H new ATOM 0 HA VAL A 121 33.653 4.279 10.608 1.00 0.00 H new ATOM 0 HB VAL A 121 33.593 3.258 13.475 1.00 0.00 H new ATOM 0 HG11 VAL A 121 31.350 2.396 12.946 1.00 0.00 H new ATOM 0 HG12 VAL A 121 31.413 4.173 12.864 1.00 0.00 H new ATOM 0 HG13 VAL A 121 31.414 3.212 11.366 1.00 0.00 H new ATOM 0 HG21 VAL A 121 33.351 1.050 12.411 1.00 0.00 H new ATOM 0 HG22 VAL A 121 33.499 1.811 10.809 1.00 0.00 H new ATOM 0 HG23 VAL A 121 34.871 1.847 11.941 1.00 0.00 H new ATOM 1010 N GLU A 122 33.790 6.201 13.279 1.00 0.00 N ATOM 1011 CA GLU A 122 33.280 7.431 13.874 1.00 0.00 C ATOM 1012 C GLU A 122 33.135 8.525 12.820 1.00 0.00 C ATOM 1013 O GLU A 122 32.095 9.177 12.728 1.00 0.00 O ATOM 1014 CB GLU A 122 34.209 7.906 14.993 1.00 0.00 C ATOM 1015 CG GLU A 122 35.670 7.978 14.582 1.00 0.00 C ATOM 1016 CD GLU A 122 36.601 8.166 15.764 1.00 0.00 C ATOM 1017 OE1 GLU A 122 36.481 9.198 16.457 1.00 0.00 O ATOM 1018 OE2 GLU A 122 37.449 7.279 15.997 1.00 0.00 O ATOM 0 H GLU A 122 34.584 5.792 13.771 1.00 0.00 H new ATOM 0 HA GLU A 122 32.296 7.221 14.293 1.00 0.00 H new ATOM 0 HB2 GLU A 122 33.886 8.891 15.328 1.00 0.00 H new ATOM 0 HB3 GLU A 122 34.113 7.232 15.844 1.00 0.00 H new ATOM 0 HG2 GLU A 122 35.940 7.064 14.054 1.00 0.00 H new ATOM 0 HG3 GLU A 122 35.806 8.803 13.882 1.00 0.00 H new ATOM 1025 N GLU A 123 34.185 8.720 12.029 1.00 0.00 N ATOM 1026 CA GLU A 123 34.175 9.735 10.983 1.00 0.00 C ATOM 1027 C GLU A 123 33.117 9.420 9.928 1.00 0.00 C ATOM 1028 O GLU A 123 32.348 10.292 9.524 1.00 0.00 O ATOM 1029 CB GLU A 123 35.552 9.836 10.325 1.00 0.00 C ATOM 1030 CG GLU A 123 35.966 11.260 9.993 1.00 0.00 C ATOM 1031 CD GLU A 123 34.998 11.943 9.047 1.00 0.00 C ATOM 1032 OE1 GLU A 123 35.182 11.820 7.818 1.00 0.00 O ATOM 1033 OE2 GLU A 123 34.056 12.601 9.536 1.00 0.00 O ATOM 0 H GLU A 123 35.053 8.188 12.093 1.00 0.00 H new ATOM 0 HA GLU A 123 33.930 10.692 11.444 1.00 0.00 H new ATOM 0 HB2 GLU A 123 36.296 9.396 10.989 1.00 0.00 H new ATOM 0 HB3 GLU A 123 35.552 9.244 9.410 1.00 0.00 H new ATOM 0 HG2 GLU A 123 36.037 11.838 10.914 1.00 0.00 H new ATOM 0 HG3 GLU A 123 36.960 11.251 9.546 1.00 0.00 H new ATOM 1040 N LEU A 124 33.086 8.167 9.487 1.00 0.00 N ATOM 1041 CA LEU A 124 32.124 7.735 8.479 1.00 0.00 C ATOM 1042 C LEU A 124 30.694 7.958 8.961 1.00 0.00 C ATOM 1043 O LEU A 124 29.819 8.335 8.182 1.00 0.00 O ATOM 1044 CB LEU A 124 32.336 6.258 8.144 1.00 0.00 C ATOM 1045 CG LEU A 124 31.436 5.682 7.050 1.00 0.00 C ATOM 1046 CD1 LEU A 124 30.078 5.302 7.621 1.00 0.00 C ATOM 1047 CD2 LEU A 124 31.278 6.677 5.910 1.00 0.00 C ATOM 0 H LEU A 124 33.716 7.433 9.811 1.00 0.00 H new ATOM 0 HA LEU A 124 32.283 8.332 7.581 1.00 0.00 H new ATOM 0 HB2 LEU A 124 33.374 6.120 7.843 1.00 0.00 H new ATOM 0 HB3 LEU A 124 32.188 5.675 9.053 1.00 0.00 H new ATOM 0 HG LEU A 124 31.907 4.781 6.656 1.00 0.00 H new ATOM 0 HD11 LEU A 124 29.451 4.894 6.828 1.00 0.00 H new ATOM 0 HD12 LEU A 124 30.208 4.553 8.402 1.00 0.00 H new ATOM 0 HD13 LEU A 124 29.600 6.186 8.042 1.00 0.00 H new ATOM 0 HD21 LEU A 124 30.634 6.250 5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 124 30.830 7.596 6.289 1.00 0.00 H new ATOM 0 HD23 LEU A 124 32.256 6.899 5.483 1.00 0.00 H new ATOM 1059 N GLU A 125 30.465 7.725 10.249 1.00 0.00 N ATOM 1060 CA GLU A 125 29.141 7.903 10.834 1.00 0.00 C ATOM 1061 C GLU A 125 28.752 9.378 10.863 1.00 0.00 C ATOM 1062 O GLU A 125 27.629 9.743 10.518 1.00 0.00 O ATOM 1063 CB GLU A 125 29.103 7.325 12.250 1.00 0.00 C ATOM 1064 CG GLU A 125 28.524 8.280 13.281 1.00 0.00 C ATOM 1065 CD GLU A 125 28.320 7.624 14.633 1.00 0.00 C ATOM 1066 OE1 GLU A 125 29.144 6.763 15.004 1.00 0.00 O ATOM 1067 OE2 GLU A 125 27.336 7.972 15.319 1.00 0.00 O ATOM 0 H GLU A 125 31.179 7.413 10.907 1.00 0.00 H new ATOM 0 HA GLU A 125 28.422 7.369 10.212 1.00 0.00 H new ATOM 0 HB2 GLU A 125 28.513 6.409 12.244 1.00 0.00 H new ATOM 0 HB3 GLU A 125 30.115 7.051 12.549 1.00 0.00 H new ATOM 0 HG2 GLU A 125 29.190 9.135 13.393 1.00 0.00 H new ATOM 0 HG3 GLU A 125 27.570 8.664 12.920 1.00 0.00 H new ATOM 1074 N LYS A 126 29.690 10.222 11.279 1.00 0.00 N ATOM 1075 CA LYS A 126 29.449 11.658 11.354 1.00 0.00 C ATOM 1076 C LYS A 126 29.063 12.217 9.989 1.00 0.00 C ATOM 1077 O LYS A 126 28.044 12.893 9.849 1.00 0.00 O ATOM 1078 CB LYS A 126 30.693 12.379 11.879 1.00 0.00 C ATOM 1079 CG LYS A 126 30.583 12.802 13.334 1.00 0.00 C ATOM 1080 CD LYS A 126 31.295 11.825 14.255 1.00 0.00 C ATOM 1081 CE LYS A 126 31.352 12.346 15.682 1.00 0.00 C ATOM 1082 NZ LYS A 126 31.257 11.244 16.679 1.00 0.00 N ATOM 0 H LYS A 126 30.625 9.936 11.570 1.00 0.00 H new ATOM 0 HA LYS A 126 28.621 11.826 12.043 1.00 0.00 H new ATOM 0 HB2 LYS A 126 31.557 11.725 11.764 1.00 0.00 H new ATOM 0 HB3 LYS A 126 30.877 13.261 11.266 1.00 0.00 H new ATOM 0 HG2 LYS A 126 31.010 13.797 13.458 1.00 0.00 H new ATOM 0 HG3 LYS A 126 29.532 12.869 13.616 1.00 0.00 H new ATOM 0 HD2 LYS A 126 30.779 10.865 14.237 1.00 0.00 H new ATOM 0 HD3 LYS A 126 32.307 11.650 13.890 1.00 0.00 H new ATOM 0 HE2 LYS A 126 32.283 12.892 15.832 1.00 0.00 H new ATOM 0 HE3 LYS A 126 30.538 13.053 15.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 31.300 11.640 17.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 30.357 10.738 16.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 32.048 10.583 16.542 1.00 0.00 H new ATOM 1096 N VAL A 127 29.884 11.930 8.983 1.00 0.00 N ATOM 1097 CA VAL A 127 29.627 12.402 7.628 1.00 0.00 C ATOM 1098 C VAL A 127 28.320 11.834 7.087 1.00 0.00 C ATOM 1099 O VAL A 127 27.549 12.537 6.433 1.00 0.00 O ATOM 1100 CB VAL A 127 30.774 12.019 6.673 1.00 0.00 C ATOM 1101 CG1 VAL A 127 32.058 12.734 7.068 1.00 0.00 C ATOM 1102 CG2 VAL A 127 30.975 10.512 6.660 1.00 0.00 C ATOM 0 H VAL A 127 30.733 11.373 9.081 1.00 0.00 H new ATOM 0 HA VAL A 127 29.554 13.488 7.680 1.00 0.00 H new ATOM 0 HB VAL A 127 30.506 12.335 5.665 1.00 0.00 H new ATOM 0 HG11 VAL A 127 32.857 12.452 6.383 1.00 0.00 H new ATOM 0 HG12 VAL A 127 31.903 13.812 7.021 1.00 0.00 H new ATOM 0 HG13 VAL A 127 32.334 12.451 8.084 1.00 0.00 H new ATOM 0 HG21 VAL A 127 31.789 10.259 5.980 1.00 0.00 H new ATOM 0 HG22 VAL A 127 31.222 10.169 7.665 1.00 0.00 H new ATOM 0 HG23 VAL A 127 30.059 10.026 6.325 1.00 0.00 H new ATOM 1112 N ARG A 128 28.076 10.557 7.364 1.00 0.00 N ATOM 1113 CA ARG A 128 26.862 9.893 6.904 1.00 0.00 C ATOM 1114 C ARG A 128 25.626 10.512 7.551 1.00 0.00 C ATOM 1115 O ARG A 128 24.623 10.760 6.882 1.00 0.00 O ATOM 1116 CB ARG A 128 26.922 8.398 7.220 1.00 0.00 C ATOM 1117 CG ARG A 128 27.476 7.556 6.083 1.00 0.00 C ATOM 1118 CD ARG A 128 26.389 7.176 5.090 1.00 0.00 C ATOM 1119 NE ARG A 128 26.294 5.729 4.910 1.00 0.00 N ATOM 1120 CZ ARG A 128 25.620 4.930 5.729 1.00 0.00 C ATOM 1121 NH1 ARG A 128 24.985 5.433 6.779 1.00 0.00 N ATOM 1122 NH2 ARG A 128 25.580 3.623 5.499 1.00 0.00 N ATOM 0 H ARG A 128 28.703 9.962 7.905 1.00 0.00 H new ATOM 0 HA ARG A 128 26.791 10.026 5.824 1.00 0.00 H new ATOM 0 HB2 ARG A 128 27.539 8.247 8.106 1.00 0.00 H new ATOM 0 HB3 ARG A 128 25.920 8.047 7.466 1.00 0.00 H new ATOM 0 HG2 ARG A 128 28.262 8.109 5.569 1.00 0.00 H new ATOM 0 HG3 ARG A 128 27.933 6.653 6.487 1.00 0.00 H new ATOM 0 HD2 ARG A 128 25.430 7.562 5.436 1.00 0.00 H new ATOM 0 HD3 ARG A 128 26.594 7.648 4.129 1.00 0.00 H new ATOM 0 HE ARG A 128 26.771 5.310 4.112 1.00 0.00 H new ATOM 0 HH11 ARG A 128 25.013 6.436 6.960 1.00 0.00 H new ATOM 0 HH12 ARG A 128 24.468 4.816 7.406 1.00 0.00 H new ATOM 0 HH21 ARG A 128 26.067 3.232 4.693 1.00 0.00 H new ATOM 0 HH22 ARG A 128 25.062 3.010 6.129 1.00 0.00 H new ATOM 1136 N GLN A 129 25.708 10.759 8.854 1.00 0.00 N ATOM 1137 CA GLN A 129 24.595 11.347 9.590 1.00 0.00 C ATOM 1138 C GLN A 129 24.332 12.776 9.128 1.00 0.00 C ATOM 1139 O GLN A 129 23.185 13.222 9.075 1.00 0.00 O ATOM 1140 CB GLN A 129 24.884 11.330 11.092 1.00 0.00 C ATOM 1141 CG GLN A 129 24.922 9.932 11.689 1.00 0.00 C ATOM 1142 CD GLN A 129 23.543 9.415 12.050 1.00 0.00 C ATOM 1143 OE1 GLN A 129 22.757 9.047 11.176 1.00 0.00 O ATOM 1144 NE2 GLN A 129 23.242 9.383 13.343 1.00 0.00 N ATOM 0 H GLN A 129 26.532 10.561 9.421 1.00 0.00 H new ATOM 0 HA GLN A 129 23.705 10.750 9.391 1.00 0.00 H new ATOM 0 HB2 GLN A 129 25.840 11.820 11.275 1.00 0.00 H new ATOM 0 HB3 GLN A 129 24.122 11.915 11.607 1.00 0.00 H new ATOM 0 HG2 GLN A 129 25.387 9.250 10.978 1.00 0.00 H new ATOM 0 HG3 GLN A 129 25.549 9.939 12.581 1.00 0.00 H new ATOM 0 HE21 GLN A 129 23.924 9.698 14.033 1.00 0.00 H new ATOM 0 HE22 GLN A 129 22.329 9.044 13.646 1.00 0.00 H new ATOM 1153 N LYS A 130 25.400 13.492 8.794 1.00 0.00 N ATOM 1154 CA LYS A 130 25.286 14.871 8.335 1.00 0.00 C ATOM 1155 C LYS A 130 24.632 14.933 6.958 1.00 0.00 C ATOM 1156 O LYS A 130 23.834 15.828 6.679 1.00 0.00 O ATOM 1157 CB LYS A 130 26.666 15.530 8.286 1.00 0.00 C ATOM 1158 CG LYS A 130 26.854 16.625 9.321 1.00 0.00 C ATOM 1159 CD LYS A 130 27.998 17.554 8.948 1.00 0.00 C ATOM 1160 CE LYS A 130 29.185 17.379 9.882 1.00 0.00 C ATOM 1161 NZ LYS A 130 29.658 15.968 9.919 1.00 0.00 N ATOM 0 H LYS A 130 26.356 13.139 8.833 1.00 0.00 H new ATOM 0 HA LYS A 130 24.657 15.412 9.042 1.00 0.00 H new ATOM 0 HB2 LYS A 130 27.429 14.766 8.434 1.00 0.00 H new ATOM 0 HB3 LYS A 130 26.824 15.950 7.293 1.00 0.00 H new ATOM 0 HG2 LYS A 130 25.933 17.200 9.415 1.00 0.00 H new ATOM 0 HG3 LYS A 130 27.051 16.177 10.295 1.00 0.00 H new ATOM 0 HD2 LYS A 130 28.309 17.357 7.922 1.00 0.00 H new ATOM 0 HD3 LYS A 130 27.655 18.588 8.984 1.00 0.00 H new ATOM 0 HE2 LYS A 130 30.000 18.027 9.559 1.00 0.00 H new ATOM 0 HE3 LYS A 130 28.906 17.695 10.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 29.478 15.566 10.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 29.149 15.412 9.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 30.678 15.938 9.719 1.00 0.00 H new ATOM 1175 N VAL A 131 24.974 13.976 6.101 1.00 0.00 N ATOM 1176 CA VAL A 131 24.418 13.921 4.754 1.00 0.00 C ATOM 1177 C VAL A 131 23.064 13.221 4.747 1.00 0.00 C ATOM 1178 O VAL A 131 22.279 13.374 3.811 1.00 0.00 O ATOM 1179 CB VAL A 131 25.367 13.191 3.785 1.00 0.00 C ATOM 1180 CG1 VAL A 131 26.732 13.862 3.767 1.00 0.00 C ATOM 1181 CG2 VAL A 131 25.490 11.723 4.165 1.00 0.00 C ATOM 0 H VAL A 131 25.634 13.228 6.316 1.00 0.00 H new ATOM 0 HA VAL A 131 24.293 14.951 4.420 1.00 0.00 H new ATOM 0 HB VAL A 131 24.948 13.249 2.781 1.00 0.00 H new ATOM 0 HG11 VAL A 131 27.389 13.332 3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 131 26.624 14.897 3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 131 27.162 13.838 4.768 1.00 0.00 H new ATOM 0 HG21 VAL A 131 26.164 11.222 3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 131 25.886 11.641 5.177 1.00 0.00 H new ATOM 0 HG23 VAL A 131 24.508 11.252 4.121 1.00 0.00 H new ATOM 1191 N LEU A 132 22.796 12.452 5.797 1.00 0.00 N ATOM 1192 CA LEU A 132 21.535 11.728 5.913 1.00 0.00 C ATOM 1193 C LEU A 132 20.486 12.572 6.629 1.00 0.00 C ATOM 1194 O LEU A 132 19.285 12.381 6.438 1.00 0.00 O ATOM 1195 CB LEU A 132 21.747 10.413 6.665 1.00 0.00 C ATOM 1196 CG LEU A 132 20.574 9.433 6.648 1.00 0.00 C ATOM 1197 CD1 LEU A 132 20.946 8.166 5.893 1.00 0.00 C ATOM 1198 CD2 LEU A 132 20.135 9.101 8.067 1.00 0.00 C ATOM 0 H LEU A 132 23.435 12.314 6.580 1.00 0.00 H new ATOM 0 HA LEU A 132 21.175 11.511 4.907 1.00 0.00 H new ATOM 0 HB2 LEU A 132 22.618 9.913 6.243 1.00 0.00 H new ATOM 0 HB3 LEU A 132 21.985 10.646 7.703 1.00 0.00 H new ATOM 0 HG LEU A 132 19.739 9.906 6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 132 20.098 7.481 5.892 1.00 0.00 H new ATOM 0 HD12 LEU A 132 21.210 8.419 4.866 1.00 0.00 H new ATOM 0 HD13 LEU A 132 21.797 7.689 6.379 1.00 0.00 H new ATOM 0 HD21 LEU A 132 19.299 8.402 8.035 1.00 0.00 H new ATOM 0 HD22 LEU A 132 20.966 8.649 8.608 1.00 0.00 H new ATOM 0 HD23 LEU A 132 19.825 10.014 8.575 1.00 0.00 H new ATOM 1210 N ARG A 133 20.947 13.508 7.452 1.00 0.00 N ATOM 1211 CA ARG A 133 20.048 14.383 8.195 1.00 0.00 C ATOM 1212 C ARG A 133 19.138 15.158 7.247 1.00 0.00 C ATOM 1213 O ARG A 133 18.066 15.622 7.640 1.00 0.00 O ATOM 1214 CB ARG A 133 20.850 15.357 9.060 1.00 0.00 C ATOM 1215 CG ARG A 133 21.509 16.475 8.268 1.00 0.00 C ATOM 1216 CD ARG A 133 20.813 17.807 8.500 1.00 0.00 C ATOM 1217 NE ARG A 133 21.750 18.927 8.466 1.00 0.00 N ATOM 1218 CZ ARG A 133 21.384 20.185 8.249 1.00 0.00 C ATOM 1219 NH1 ARG A 133 20.107 20.482 8.048 1.00 0.00 N ATOM 1220 NH2 ARG A 133 22.295 21.149 8.233 1.00 0.00 N ATOM 0 H ARG A 133 21.938 13.680 7.621 1.00 0.00 H new ATOM 0 HA ARG A 133 19.427 13.762 8.840 1.00 0.00 H new ATOM 0 HB2 ARG A 133 20.189 15.794 9.808 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.619 14.803 9.599 1.00 0.00 H new ATOM 0 HG2 ARG A 133 22.557 16.556 8.555 1.00 0.00 H new ATOM 0 HG3 ARG A 133 21.487 16.232 7.206 1.00 0.00 H new ATOM 0 HD2 ARG A 133 20.046 17.953 7.739 1.00 0.00 H new ATOM 0 HD3 ARG A 133 20.306 17.788 9.465 1.00 0.00 H new ATOM 0 HE ARG A 133 22.740 18.732 8.617 1.00 0.00 H new ATOM 0 HH11 ARG A 133 19.404 19.743 8.060 1.00 0.00 H new ATOM 0 HH12 ARG A 133 19.828 21.449 7.882 1.00 0.00 H new ATOM 0 HH21 ARG A 133 23.278 20.924 8.387 1.00 0.00 H new ATOM 0 HH22 ARG A 133 22.013 22.115 8.066 1.00 0.00 H new ATOM 1234 N LEU A 134 19.571 15.297 5.999 1.00 0.00 N ATOM 1235 CA LEU A 134 18.796 16.017 4.995 1.00 0.00 C ATOM 1236 C LEU A 134 17.488 15.291 4.694 1.00 0.00 C ATOM 1237 O LEU A 134 16.426 15.909 4.630 1.00 0.00 O ATOM 1238 CB LEU A 134 19.611 16.177 3.711 1.00 0.00 C ATOM 1239 CG LEU A 134 19.347 17.447 2.902 1.00 0.00 C ATOM 1240 CD1 LEU A 134 17.911 17.472 2.402 1.00 0.00 C ATOM 1241 CD2 LEU A 134 19.644 18.683 3.738 1.00 0.00 C ATOM 0 H LEU A 134 20.455 14.920 5.658 1.00 0.00 H new ATOM 0 HA LEU A 134 18.560 17.004 5.393 1.00 0.00 H new ATOM 0 HB2 LEU A 134 20.669 16.149 3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 134 19.417 15.316 3.071 1.00 0.00 H new ATOM 0 HG LEU A 134 20.011 17.449 2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 134 17.741 18.383 1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 134 17.732 16.605 1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 134 17.229 17.446 3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 134 19.451 19.578 3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 134 19.005 18.687 4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 134 20.689 18.671 4.046 1.00 0.00 H new ATOM 1253 N GLU A 135 17.575 13.977 4.512 1.00 0.00 N ATOM 1254 CA GLU A 135 16.397 13.169 4.219 1.00 0.00 C ATOM 1255 C GLU A 135 15.957 12.382 5.450 1.00 0.00 C ATOM 1256 O GLU A 135 14.889 11.771 5.459 1.00 0.00 O ATOM 1257 CB GLU A 135 16.685 12.209 3.063 1.00 0.00 C ATOM 1258 CG GLU A 135 17.770 11.190 3.373 1.00 0.00 C ATOM 1259 CD GLU A 135 17.633 9.924 2.550 1.00 0.00 C ATOM 1260 OE1 GLU A 135 17.026 9.987 1.461 1.00 0.00 O ATOM 1261 OE2 GLU A 135 18.133 8.870 2.996 1.00 0.00 O ATOM 0 H GLU A 135 18.447 13.450 4.562 1.00 0.00 H new ATOM 0 HA GLU A 135 15.589 13.842 3.931 1.00 0.00 H new ATOM 0 HB2 GLU A 135 15.767 11.682 2.802 1.00 0.00 H new ATOM 0 HB3 GLU A 135 16.980 12.787 2.187 1.00 0.00 H new ATOM 0 HG2 GLU A 135 18.747 11.636 3.186 1.00 0.00 H new ATOM 0 HG3 GLU A 135 17.733 10.936 4.432 1.00 0.00 H new TER 1268 GLU A 135