USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 614 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 29 SER OG : rot -66:sc= 1.37 USER MOD Set 1.2: A 30 HIS : no HE2:sc= 0.218 K(o=1.6,f=-9.5!) USER MOD Single : A 7 LYS NZ :NH3+ 145:sc= -5.7! (180deg=-8.55!) USER MOD Single : A 13 LYS NZ :NH3+ 163:sc= -0.951! (180deg=-1.85!) USER MOD Single : A 14 HIS : no HE2:sc= -0.858 K(o=-0.86,f=-6.8!) USER MOD Single : A 16 LYS NZ :NH3+ -135:sc= -2.47! (180deg=-5.35!) USER MOD Single : A 17 THR OG1 : rot -170:sc= -0.0048 USER MOD Single : A 18 LYS NZ :NH3+ 165:sc= 0.403! (180deg=0.0159!) USER MOD Single : A 24 MET CE :methyl -117:sc= -0.852 (180deg=-3.86!) USER MOD Single : A 28 TYR OH : rot -101:sc= 1.35 USER MOD Single : A 31 TYR OH : rot -23:sc= 0.479 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -4.34! C(o=-4.3!,f=-21!) USER MOD Single : A 35 THR OG1 : rot -99:sc= -0.396 USER MOD Single : A 40 ASN : amide:sc= -3.2! C(o=-3.2!,f=-16!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.475 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -157:sc= 0.593 (180deg=-0.74) USER MOD Single : A 59 ASN :FLIP amide:sc= -3.52 F(o=-4.9!,f=-3.5) USER MOD Single : A 62 LYS NZ :NH3+ -122:sc= 0.771! (180deg=-3.68!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.46 USER MOD Single : A 66 LYS NZ :NH3+ -123:sc= -0.213 (180deg=-1.17) USER MOD Single : A 70 MET CE :methyl -141:sc= -0.271 (180deg=-0.586) USER MOD Single : A 71 LYS NZ :NH3+ 175:sc= -4.33! (180deg=-4.57!) USER MOD Single : A 73 TYR OH : rot 62:sc= 0.875 USER MOD Single : A 76 LYS NZ :NH3+ -165:sc= 0.829 (180deg=0.52) USER MOD Single : A 81 LYS NZ :NH3+ 170:sc= -0.0664 (180deg=-0.206) USER MOD Single : A 82 LYS NZ :NH3+ -114:sc= -0.208 (180deg=-3.93!) USER MOD Single : A 83 LYS NZ :NH3+ -109:sc= -3.38! (180deg=-8.02!) USER MOD Single : A 84 TYR OH : rot 101:sc= 2.12 USER MOD ----------------------------------------------------------------- ATOM 41 N GLU A 4 8.554 7.054 -0.800 1.00 0.36 N ATOM 42 CA GLU A 4 8.048 7.731 0.433 1.00 0.41 C ATOM 43 C GLU A 4 8.031 9.212 0.124 1.00 0.39 C ATOM 44 O GLU A 4 7.691 10.030 0.932 1.00 0.52 O ATOM 45 CB GLU A 4 8.909 7.439 1.674 1.00 0.38 C ATOM 46 CG GLU A 4 10.379 7.876 1.523 1.00 0.39 C ATOM 47 CD GLU A 4 11.260 6.817 0.840 1.00 1.06 C ATOM 48 OE1 GLU A 4 11.181 6.673 -0.370 1.00 2.43 O ATOM 49 OE2 GLU A 4 11.974 6.196 1.610 1.00 0.97 O ATOM 0 HA GLU A 4 7.056 7.355 0.682 1.00 0.41 H new ATOM 0 HB2 GLU A 4 8.474 7.947 2.535 1.00 0.38 H new ATOM 0 HB3 GLU A 4 8.876 6.370 1.885 1.00 0.38 H new ATOM 0 HG2 GLU A 4 10.419 8.800 0.945 1.00 0.39 H new ATOM 0 HG3 GLU A 4 10.788 8.098 2.509 1.00 0.39 H new ATOM 56 N PHE A 5 8.416 9.539 -1.059 1.00 0.24 N ATOM 57 CA PHE A 5 8.457 10.940 -1.532 1.00 0.19 C ATOM 58 C PHE A 5 7.297 11.799 -0.966 1.00 0.17 C ATOM 59 O PHE A 5 7.524 12.844 -0.402 1.00 0.16 O ATOM 60 CB PHE A 5 8.391 10.725 -2.987 1.00 0.17 C ATOM 61 CG PHE A 5 8.145 12.007 -3.744 1.00 0.17 C ATOM 62 CD1 PHE A 5 9.180 12.812 -4.134 1.00 0.83 C ATOM 63 CD2 PHE A 5 6.855 12.355 -4.032 1.00 1.00 C ATOM 64 CE1 PHE A 5 8.949 13.981 -4.818 1.00 0.86 C ATOM 65 CE2 PHE A 5 6.589 13.500 -4.706 1.00 1.01 C ATOM 66 CZ PHE A 5 7.630 14.314 -5.104 1.00 0.20 C ATOM 0 H PHE A 5 8.721 8.860 -1.756 1.00 0.24 H new ATOM 0 HA PHE A 5 9.327 11.512 -1.210 1.00 0.19 H new ATOM 0 HB2 PHE A 5 9.324 10.277 -3.329 1.00 0.17 H new ATOM 0 HB3 PHE A 5 7.595 10.015 -3.211 1.00 0.17 H new ATOM 0 HD1 PHE A 5 10.194 12.524 -3.901 1.00 0.83 H new ATOM 0 HD2 PHE A 5 6.043 11.714 -3.721 1.00 1.00 H new ATOM 0 HE1 PHE A 5 9.765 14.620 -5.123 1.00 0.86 H new ATOM 0 HE2 PHE A 5 5.569 13.774 -4.930 1.00 1.01 H new ATOM 0 HZ PHE A 5 7.417 15.224 -5.646 1.00 0.20 H new ATOM 76 N ASP A 6 6.076 11.372 -1.115 1.00 0.18 N ATOM 77 CA ASP A 6 4.964 12.179 -0.565 1.00 0.16 C ATOM 78 C ASP A 6 5.165 12.307 0.932 1.00 0.07 C ATOM 79 O ASP A 6 4.945 13.322 1.558 1.00 0.21 O ATOM 80 CB ASP A 6 3.732 11.583 -1.082 1.00 0.24 C ATOM 81 CG ASP A 6 3.663 11.968 -2.550 1.00 0.23 C ATOM 82 OD1 ASP A 6 3.547 13.168 -2.799 1.00 0.64 O ATOM 83 OD2 ASP A 6 3.755 11.027 -3.316 1.00 1.11 O ATOM 0 H ASP A 6 5.806 10.510 -1.588 1.00 0.18 H new ATOM 0 HA ASP A 6 4.914 13.221 -0.880 1.00 0.16 H new ATOM 0 HB2 ASP A 6 3.743 10.500 -0.963 1.00 0.24 H new ATOM 0 HB3 ASP A 6 2.862 11.954 -0.540 1.00 0.24 H new ATOM 88 N LYS A 7 5.627 11.229 1.484 1.00 0.13 N ATOM 89 CA LYS A 7 5.873 11.242 2.938 1.00 0.04 C ATOM 90 C LYS A 7 6.840 12.366 3.183 1.00 0.08 C ATOM 91 O LYS A 7 6.604 13.205 4.023 1.00 0.13 O ATOM 92 CB LYS A 7 6.469 9.937 3.444 1.00 0.04 C ATOM 93 CG LYS A 7 6.459 9.857 4.994 1.00 0.32 C ATOM 94 CD LYS A 7 5.050 9.524 5.614 1.00 1.15 C ATOM 95 CE LYS A 7 3.990 10.618 5.382 1.00 2.34 C ATOM 96 NZ LYS A 7 3.249 10.336 4.105 1.00 3.61 N ATOM 0 H LYS A 7 5.841 10.357 1.001 1.00 0.13 H new ATOM 0 HA LYS A 7 4.930 11.371 3.470 1.00 0.04 H new ATOM 0 HB2 LYS A 7 5.907 9.098 3.034 1.00 0.04 H new ATOM 0 HB3 LYS A 7 7.493 9.842 3.082 1.00 0.04 H new ATOM 0 HG2 LYS A 7 7.172 9.097 5.312 1.00 0.32 H new ATOM 0 HG3 LYS A 7 6.806 10.808 5.398 1.00 0.32 H new ATOM 0 HD2 LYS A 7 4.690 8.587 5.189 1.00 1.15 H new ATOM 0 HD3 LYS A 7 5.165 9.365 6.686 1.00 1.15 H new ATOM 0 HE2 LYS A 7 3.294 10.648 6.220 1.00 2.34 H new ATOM 0 HE3 LYS A 7 4.467 11.596 5.329 1.00 2.34 H new ATOM 0 HZ1 LYS A 7 2.255 10.625 4.209 1.00 3.61 H new ATOM 0 HZ2 LYS A 7 3.685 10.869 3.326 1.00 3.61 H new ATOM 0 HZ3 LYS A 7 3.294 9.318 3.895 1.00 3.61 H new ATOM 110 N ALA A 8 7.900 12.342 2.423 1.00 0.08 N ATOM 111 CA ALA A 8 8.925 13.403 2.572 1.00 0.14 C ATOM 112 C ALA A 8 8.194 14.755 2.500 1.00 0.17 C ATOM 113 O ALA A 8 8.279 15.574 3.391 1.00 0.17 O ATOM 114 CB ALA A 8 9.956 13.134 1.486 1.00 0.15 C ATOM 0 H ALA A 8 8.097 11.638 1.712 1.00 0.08 H new ATOM 0 HA ALA A 8 9.463 13.418 3.520 1.00 0.14 H new ATOM 0 HB1 ALA A 8 10.745 13.884 1.539 1.00 0.15 H new ATOM 0 HB2 ALA A 8 10.387 12.143 1.631 1.00 0.15 H new ATOM 0 HB3 ALA A 8 9.476 13.181 0.509 1.00 0.15 H new ATOM 120 N ALA A 9 7.486 14.907 1.430 1.00 0.18 N ATOM 121 CA ALA A 9 6.684 16.141 1.149 1.00 0.22 C ATOM 122 C ALA A 9 5.813 16.532 2.375 1.00 0.23 C ATOM 123 O ALA A 9 5.650 17.694 2.690 1.00 0.51 O ATOM 124 CB ALA A 9 5.822 15.841 -0.082 1.00 0.21 C ATOM 0 H ALA A 9 7.421 14.199 0.698 1.00 0.18 H new ATOM 0 HA ALA A 9 7.336 16.993 0.957 1.00 0.22 H new ATOM 0 HB1 ALA A 9 5.218 16.715 -0.325 1.00 0.21 H new ATOM 0 HB2 ALA A 9 6.466 15.599 -0.927 1.00 0.21 H new ATOM 0 HB3 ALA A 9 5.168 14.995 0.129 1.00 0.21 H new ATOM 130 N GLU A 10 5.251 15.561 3.033 1.00 0.23 N ATOM 131 CA GLU A 10 4.391 15.807 4.248 1.00 0.32 C ATOM 132 C GLU A 10 5.282 16.134 5.449 1.00 0.34 C ATOM 133 O GLU A 10 5.046 17.098 6.144 1.00 0.50 O ATOM 134 CB GLU A 10 3.569 14.532 4.507 1.00 0.41 C ATOM 135 CG GLU A 10 2.612 14.235 3.301 1.00 1.36 C ATOM 136 CD GLU A 10 2.138 12.779 3.331 1.00 1.74 C ATOM 137 OE1 GLU A 10 1.609 12.351 4.343 1.00 1.15 O ATOM 138 OE2 GLU A 10 2.334 12.109 2.332 1.00 2.87 O ATOM 0 H GLU A 10 5.347 14.577 2.782 1.00 0.23 H new ATOM 0 HA GLU A 10 3.720 16.651 4.088 1.00 0.32 H new ATOM 0 HB2 GLU A 10 4.239 13.687 4.663 1.00 0.41 H new ATOM 0 HB3 GLU A 10 2.986 14.649 5.420 1.00 0.41 H new ATOM 0 HG2 GLU A 10 1.752 14.903 3.340 1.00 1.36 H new ATOM 0 HG3 GLU A 10 3.129 14.435 2.362 1.00 1.36 H new ATOM 145 N GLU A 11 6.292 15.339 5.636 1.00 0.33 N ATOM 146 CA GLU A 11 7.276 15.458 6.733 1.00 0.53 C ATOM 147 C GLU A 11 7.842 16.832 6.750 1.00 0.50 C ATOM 148 O GLU A 11 7.764 17.568 7.709 1.00 0.66 O ATOM 149 CB GLU A 11 8.344 14.440 6.480 1.00 0.54 C ATOM 150 CG GLU A 11 7.994 12.994 6.947 1.00 0.88 C ATOM 151 CD GLU A 11 9.224 12.135 6.700 1.00 1.39 C ATOM 152 OE1 GLU A 11 9.587 11.937 5.551 1.00 2.31 O ATOM 153 OE2 GLU A 11 9.795 11.706 7.684 1.00 1.28 O ATOM 0 H GLU A 11 6.483 14.550 5.018 1.00 0.33 H new ATOM 0 HA GLU A 11 6.813 15.281 7.704 1.00 0.53 H new ATOM 0 HB2 GLU A 11 8.561 14.419 5.412 1.00 0.54 H new ATOM 0 HB3 GLU A 11 9.256 14.758 6.984 1.00 0.54 H new ATOM 0 HG2 GLU A 11 7.724 12.985 8.003 1.00 0.88 H new ATOM 0 HG3 GLU A 11 7.137 12.608 6.395 1.00 0.88 H new ATOM 160 N VAL A 12 8.401 17.157 5.638 1.00 0.32 N ATOM 161 CA VAL A 12 9.023 18.468 5.462 1.00 0.37 C ATOM 162 C VAL A 12 8.034 19.586 5.839 1.00 0.63 C ATOM 163 O VAL A 12 8.376 20.541 6.498 1.00 0.69 O ATOM 164 CB VAL A 12 9.579 18.421 4.022 1.00 0.33 C ATOM 165 CG1 VAL A 12 8.724 19.097 2.977 1.00 0.47 C ATOM 166 CG2 VAL A 12 11.002 18.866 3.982 1.00 0.32 C ATOM 0 H VAL A 12 8.452 16.548 4.822 1.00 0.32 H new ATOM 0 HA VAL A 12 9.853 18.704 6.127 1.00 0.37 H new ATOM 0 HB VAL A 12 9.541 17.371 3.733 1.00 0.33 H new ATOM 0 HG11 VAL A 12 9.203 19.008 2.002 1.00 0.47 H new ATOM 0 HG12 VAL A 12 7.744 18.621 2.945 1.00 0.47 H new ATOM 0 HG13 VAL A 12 8.607 20.151 3.229 1.00 0.47 H new ATOM 0 HG21 VAL A 12 11.368 18.823 2.956 1.00 0.32 H new ATOM 0 HG22 VAL A 12 11.074 19.889 4.350 1.00 0.32 H new ATOM 0 HG23 VAL A 12 11.606 18.211 4.610 1.00 0.32 H new ATOM 176 N LYS A 13 6.819 19.426 5.395 1.00 0.78 N ATOM 177 CA LYS A 13 5.746 20.430 5.701 1.00 1.05 C ATOM 178 C LYS A 13 5.471 20.609 7.211 1.00 1.16 C ATOM 179 O LYS A 13 4.763 21.518 7.601 1.00 1.37 O ATOM 180 CB LYS A 13 4.398 20.024 5.034 1.00 1.26 C ATOM 181 CG LYS A 13 4.417 20.367 3.549 1.00 0.83 C ATOM 182 CD LYS A 13 2.981 20.218 2.945 1.00 1.25 C ATOM 183 CE LYS A 13 2.375 18.797 2.950 1.00 2.10 C ATOM 184 NZ LYS A 13 3.186 17.903 2.067 1.00 1.73 N ATOM 0 H LYS A 13 6.514 18.636 4.826 1.00 0.78 H new ATOM 0 HA LYS A 13 6.126 21.371 5.302 1.00 1.05 H new ATOM 0 HB2 LYS A 13 4.227 18.955 5.165 1.00 1.26 H new ATOM 0 HB3 LYS A 13 3.572 20.541 5.523 1.00 1.26 H new ATOM 0 HG2 LYS A 13 4.776 21.387 3.408 1.00 0.83 H new ATOM 0 HG3 LYS A 13 5.111 19.710 3.025 1.00 0.83 H new ATOM 0 HD2 LYS A 13 2.309 20.877 3.495 1.00 1.25 H new ATOM 0 HD3 LYS A 13 3.005 20.575 1.915 1.00 1.25 H new ATOM 0 HE2 LYS A 13 2.356 18.402 3.966 1.00 2.10 H new ATOM 0 HE3 LYS A 13 1.343 18.830 2.602 1.00 2.10 H new ATOM 0 HZ1 LYS A 13 2.969 16.910 2.285 1.00 1.73 H new ATOM 0 HZ2 LYS A 13 2.956 18.097 1.071 1.00 1.73 H new ATOM 0 HZ3 LYS A 13 4.198 18.080 2.229 1.00 1.73 H new ATOM 198 N HIS A 14 6.030 19.752 8.019 1.00 1.07 N ATOM 199 CA HIS A 14 5.821 19.838 9.497 1.00 1.20 C ATOM 200 C HIS A 14 6.942 20.534 10.248 1.00 0.90 C ATOM 201 O HIS A 14 6.694 21.352 11.117 1.00 0.79 O ATOM 202 CB HIS A 14 6.000 18.414 10.151 1.00 1.51 C ATOM 203 CG HIS A 14 5.018 17.316 9.765 1.00 1.69 C ATOM 204 ND1 HIS A 14 4.957 16.694 8.640 1.00 1.43 N ATOM 205 CD2 HIS A 14 4.011 16.748 10.516 1.00 2.39 C ATOM 206 CE1 HIS A 14 4.006 15.813 8.677 1.00 1.99 C ATOM 207 NE2 HIS A 14 3.389 15.815 9.830 1.00 2.59 N ATOM 0 H HIS A 14 6.631 18.985 7.717 1.00 1.07 H new ATOM 0 HA HIS A 14 4.851 20.329 9.574 1.00 1.20 H new ATOM 0 HB2 HIS A 14 7.004 18.062 9.912 1.00 1.51 H new ATOM 0 HB3 HIS A 14 5.954 18.536 11.233 1.00 1.51 H new ATOM 0 HD1 HIS A 14 5.565 16.868 7.840 1.00 1.43 H new ATOM 0 HD2 HIS A 14 3.767 17.031 11.529 1.00 2.39 H new ATOM 0 HE1 HIS A 14 3.754 15.158 7.856 1.00 1.99 H new ATOM 215 N LEU A 15 8.124 20.176 9.821 1.00 0.73 N ATOM 216 CA LEU A 15 9.377 20.675 10.415 1.00 0.48 C ATOM 217 C LEU A 15 9.428 21.855 11.393 1.00 0.52 C ATOM 218 O LEU A 15 8.849 22.900 11.191 1.00 0.53 O ATOM 219 CB LEU A 15 10.281 20.982 9.255 1.00 0.17 C ATOM 220 CG LEU A 15 10.551 19.736 8.424 1.00 0.22 C ATOM 221 CD1 LEU A 15 11.385 20.180 7.296 1.00 0.19 C ATOM 222 CD2 LEU A 15 11.256 18.629 9.168 1.00 0.51 C ATOM 0 H LEU A 15 8.266 19.527 9.047 1.00 0.73 H new ATOM 0 HA LEU A 15 9.650 19.869 11.097 1.00 0.48 H new ATOM 0 HB2 LEU A 15 9.825 21.749 8.628 1.00 0.17 H new ATOM 0 HB3 LEU A 15 11.223 21.389 9.622 1.00 0.17 H new ATOM 0 HG LEU A 15 9.597 19.305 8.120 1.00 0.22 H new ATOM 0 HD11 LEU A 15 11.616 19.328 6.657 1.00 0.19 H new ATOM 0 HD12 LEU A 15 10.846 20.931 6.719 1.00 0.19 H new ATOM 0 HD13 LEU A 15 12.312 20.610 7.676 1.00 0.19 H new ATOM 0 HD21 LEU A 15 11.408 17.781 8.500 1.00 0.51 H new ATOM 0 HD22 LEU A 15 12.222 18.988 9.524 1.00 0.51 H new ATOM 0 HD23 LEU A 15 10.649 18.318 10.018 1.00 0.51 H new ATOM 234 N LYS A 16 10.143 21.588 12.454 1.00 0.89 N ATOM 235 CA LYS A 16 10.403 22.547 13.593 1.00 1.09 C ATOM 236 C LYS A 16 10.332 23.991 13.105 1.00 0.45 C ATOM 237 O LYS A 16 9.611 24.835 13.595 1.00 0.11 O ATOM 238 CB LYS A 16 11.843 22.246 14.062 1.00 1.78 C ATOM 239 CG LYS A 16 12.311 23.220 15.169 1.00 2.60 C ATOM 240 CD LYS A 16 13.766 22.883 15.622 1.00 3.60 C ATOM 241 CE LYS A 16 13.787 21.681 16.580 1.00 3.13 C ATOM 242 NZ LYS A 16 13.690 20.411 15.810 1.00 3.09 N ATOM 0 H LYS A 16 10.591 20.682 12.592 1.00 0.89 H new ATOM 0 HA LYS A 16 9.666 22.426 14.387 1.00 1.09 H new ATOM 0 HB2 LYS A 16 11.896 21.223 14.434 1.00 1.78 H new ATOM 0 HB3 LYS A 16 12.522 22.312 13.212 1.00 1.78 H new ATOM 0 HG2 LYS A 16 12.268 24.245 14.800 1.00 2.60 H new ATOM 0 HG3 LYS A 16 11.636 23.160 16.023 1.00 2.60 H new ATOM 0 HD2 LYS A 16 14.380 22.665 14.748 1.00 3.60 H new ATOM 0 HD3 LYS A 16 14.207 23.750 16.113 1.00 3.60 H new ATOM 0 HE2 LYS A 16 14.705 21.690 17.167 1.00 3.13 H new ATOM 0 HE3 LYS A 16 12.958 21.753 17.284 1.00 3.13 H new ATOM 0 HZ1 LYS A 16 13.003 19.779 16.268 1.00 3.09 H new ATOM 0 HZ2 LYS A 16 13.378 20.616 14.839 1.00 3.09 H new ATOM 0 HZ3 LYS A 16 14.621 19.949 15.784 1.00 3.09 H new ATOM 256 N THR A 17 11.133 24.172 12.109 1.00 0.47 N ATOM 257 CA THR A 17 11.280 25.478 11.414 1.00 0.70 C ATOM 258 C THR A 17 10.638 25.243 10.055 1.00 0.73 C ATOM 259 O THR A 17 10.531 24.119 9.605 1.00 0.53 O ATOM 260 CB THR A 17 12.766 25.667 11.064 1.00 1.24 C ATOM 261 OG1 THR A 17 13.506 25.168 12.161 1.00 1.33 O ATOM 262 CG2 THR A 17 13.253 27.077 11.143 1.00 1.48 C ATOM 0 H THR A 17 11.723 23.434 11.725 1.00 0.47 H new ATOM 0 HA THR A 17 10.878 26.301 12.005 1.00 0.70 H new ATOM 0 HB THR A 17 12.876 25.227 10.073 1.00 1.24 H new ATOM 0 HG1 THR A 17 14.450 25.409 12.055 1.00 1.33 H new ATOM 0 HG21 THR A 17 14.310 27.112 10.880 1.00 1.48 H new ATOM 0 HG22 THR A 17 12.686 27.697 10.449 1.00 1.48 H new ATOM 0 HG23 THR A 17 13.119 27.452 12.158 1.00 1.48 H new ATOM 270 N LYS A 18 10.244 26.302 9.419 1.00 1.42 N ATOM 271 CA LYS A 18 9.604 26.184 8.077 1.00 1.84 C ATOM 272 C LYS A 18 10.813 26.459 7.153 1.00 1.74 C ATOM 273 O LYS A 18 11.241 27.590 7.058 1.00 2.18 O ATOM 274 CB LYS A 18 8.441 27.209 8.020 1.00 2.66 C ATOM 275 CG LYS A 18 7.404 26.948 9.191 1.00 3.35 C ATOM 276 CD LYS A 18 7.116 25.399 9.387 1.00 4.76 C ATOM 277 CE LYS A 18 6.058 25.121 10.485 1.00 6.00 C ATOM 278 NZ LYS A 18 6.411 23.817 11.148 1.00 6.84 N ATOM 0 H LYS A 18 10.336 27.255 9.770 1.00 1.42 H new ATOM 0 HA LYS A 18 9.130 25.241 7.804 1.00 1.84 H new ATOM 0 HB2 LYS A 18 8.838 28.221 8.098 1.00 2.66 H new ATOM 0 HB3 LYS A 18 7.935 27.139 7.057 1.00 2.66 H new ATOM 0 HG2 LYS A 18 7.791 27.366 10.120 1.00 3.35 H new ATOM 0 HG3 LYS A 18 6.471 27.467 8.973 1.00 3.35 H new ATOM 0 HD2 LYS A 18 6.774 24.975 8.443 1.00 4.76 H new ATOM 0 HD3 LYS A 18 8.045 24.891 9.646 1.00 4.76 H new ATOM 0 HE2 LYS A 18 6.045 25.929 11.216 1.00 6.00 H new ATOM 0 HE3 LYS A 18 5.060 25.070 10.049 1.00 6.00 H new ATOM 0 HZ1 LYS A 18 5.884 23.727 12.040 1.00 6.84 H new ATOM 0 HZ2 LYS A 18 6.162 23.028 10.518 1.00 6.84 H new ATOM 0 HZ3 LYS A 18 7.432 23.793 11.345 1.00 6.84 H new ATOM 292 N PRO A 19 11.330 25.416 6.524 1.00 1.27 N ATOM 293 CA PRO A 19 12.493 25.487 5.616 1.00 1.24 C ATOM 294 C PRO A 19 12.884 26.766 4.879 1.00 1.28 C ATOM 295 O PRO A 19 12.061 27.442 4.301 1.00 1.35 O ATOM 296 CB PRO A 19 12.159 24.409 4.628 1.00 1.15 C ATOM 297 CG PRO A 19 11.621 23.267 5.498 1.00 0.86 C ATOM 298 CD PRO A 19 10.818 24.004 6.595 1.00 0.92 C ATOM 0 HA PRO A 19 13.384 25.403 6.238 1.00 1.24 H new ATOM 0 HB2 PRO A 19 11.415 24.745 3.905 1.00 1.15 H new ATOM 0 HB3 PRO A 19 13.037 24.100 4.061 1.00 1.15 H new ATOM 0 HG2 PRO A 19 10.990 22.588 4.925 1.00 0.86 H new ATOM 0 HG3 PRO A 19 12.428 22.670 5.923 1.00 0.86 H new ATOM 0 HD2 PRO A 19 9.746 23.957 6.406 1.00 0.92 H new ATOM 0 HD3 PRO A 19 10.988 23.565 7.578 1.00 0.92 H new ATOM 306 N ALA A 20 14.158 27.049 4.912 1.00 1.25 N ATOM 307 CA ALA A 20 14.714 28.261 4.234 1.00 1.20 C ATOM 308 C ALA A 20 14.548 28.112 2.717 1.00 0.90 C ATOM 309 O ALA A 20 14.508 26.992 2.233 1.00 0.68 O ATOM 310 CB ALA A 20 16.251 28.258 4.498 1.00 1.22 C ATOM 0 H ALA A 20 14.855 26.479 5.391 1.00 1.25 H new ATOM 0 HA ALA A 20 14.214 29.159 4.596 1.00 1.20 H new ATOM 0 HB1 ALA A 20 16.704 29.127 4.021 1.00 1.22 H new ATOM 0 HB2 ALA A 20 16.436 28.296 5.572 1.00 1.22 H new ATOM 0 HB3 ALA A 20 16.689 27.349 4.086 1.00 1.22 H new ATOM 316 N ASP A 21 14.455 29.205 1.999 1.00 0.90 N ATOM 317 CA ASP A 21 14.305 29.088 0.518 1.00 0.62 C ATOM 318 C ASP A 21 15.163 27.969 -0.051 1.00 0.42 C ATOM 319 O ASP A 21 14.588 27.026 -0.538 1.00 0.32 O ATOM 320 CB ASP A 21 14.659 30.404 -0.181 1.00 0.58 C ATOM 321 CG ASP A 21 13.673 31.491 0.145 1.00 0.96 C ATOM 322 OD1 ASP A 21 13.237 31.505 1.287 1.00 1.58 O ATOM 323 OD2 ASP A 21 13.403 32.282 -0.750 1.00 1.63 O ATOM 0 H ASP A 21 14.476 30.156 2.367 1.00 0.90 H new ATOM 0 HA ASP A 21 13.258 28.852 0.329 1.00 0.62 H new ATOM 0 HB2 ASP A 21 15.659 30.718 0.119 1.00 0.58 H new ATOM 0 HB3 ASP A 21 14.685 30.248 -1.259 1.00 0.58 H new ATOM 328 N GLU A 22 16.469 28.079 0.030 1.00 0.47 N ATOM 329 CA GLU A 22 17.357 26.996 -0.528 1.00 0.48 C ATOM 330 C GLU A 22 16.849 25.625 0.023 1.00 0.62 C ATOM 331 O GLU A 22 16.594 24.737 -0.767 1.00 0.62 O ATOM 332 CB GLU A 22 18.881 27.332 -0.213 1.00 0.64 C ATOM 333 CG GLU A 22 19.444 28.434 -1.243 1.00 0.41 C ATOM 334 CD GLU A 22 20.911 28.916 -1.009 1.00 1.03 C ATOM 335 OE1 GLU A 22 21.656 28.226 -0.330 1.00 1.76 O ATOM 336 OE2 GLU A 22 21.215 29.975 -1.547 1.00 1.68 O ATOM 0 H GLU A 22 16.960 28.865 0.455 1.00 0.47 H new ATOM 0 HA GLU A 22 17.306 26.935 -1.615 1.00 0.48 H new ATOM 0 HB2 GLU A 22 18.974 27.700 0.809 1.00 0.64 H new ATOM 0 HB3 GLU A 22 19.480 26.424 -0.280 1.00 0.64 H new ATOM 0 HG2 GLU A 22 19.375 28.026 -2.251 1.00 0.41 H new ATOM 0 HG3 GLU A 22 18.788 29.304 -1.205 1.00 0.41 H new ATOM 343 N GLU A 23 16.705 25.421 1.312 1.00 0.73 N ATOM 344 CA GLU A 23 16.204 24.105 1.813 1.00 0.82 C ATOM 345 C GLU A 23 14.945 23.628 1.026 1.00 0.48 C ATOM 346 O GLU A 23 14.874 22.508 0.546 1.00 0.53 O ATOM 347 CB GLU A 23 15.888 24.297 3.303 1.00 1.15 C ATOM 348 CG GLU A 23 17.086 23.853 4.184 1.00 1.50 C ATOM 349 CD GLU A 23 18.231 24.831 4.212 1.00 1.16 C ATOM 350 OE1 GLU A 23 18.937 24.873 3.231 1.00 1.49 O ATOM 351 OE2 GLU A 23 18.366 25.481 5.232 1.00 2.01 O ATOM 0 H GLU A 23 16.913 26.109 2.036 1.00 0.73 H new ATOM 0 HA GLU A 23 16.956 23.329 1.668 1.00 0.82 H new ATOM 0 HB2 GLU A 23 15.656 25.344 3.498 1.00 1.15 H new ATOM 0 HB3 GLU A 23 15.002 23.720 3.569 1.00 1.15 H new ATOM 0 HG2 GLU A 23 16.733 23.695 5.203 1.00 1.50 H new ATOM 0 HG3 GLU A 23 17.453 22.893 3.821 1.00 1.50 H new ATOM 358 N MET A 24 13.984 24.512 0.924 1.00 0.35 N ATOM 359 CA MET A 24 12.700 24.230 0.197 1.00 0.26 C ATOM 360 C MET A 24 12.996 23.978 -1.285 1.00 0.17 C ATOM 361 O MET A 24 12.516 23.014 -1.835 1.00 0.39 O ATOM 362 CB MET A 24 11.821 25.502 0.210 1.00 0.62 C ATOM 363 CG MET A 24 11.397 25.979 1.599 1.00 0.67 C ATOM 364 SD MET A 24 10.407 27.496 1.577 1.00 1.36 S ATOM 365 CE MET A 24 9.493 27.333 3.134 1.00 1.24 C ATOM 0 H MET A 24 14.035 25.448 1.326 1.00 0.35 H new ATOM 0 HA MET A 24 12.217 23.378 0.675 1.00 0.26 H new ATOM 0 HB2 MET A 24 12.365 26.307 -0.284 1.00 0.62 H new ATOM 0 HB3 MET A 24 10.926 25.313 -0.382 1.00 0.62 H new ATOM 0 HG2 MET A 24 10.825 25.189 2.086 1.00 0.67 H new ATOM 0 HG3 MET A 24 12.288 26.146 2.204 1.00 0.67 H new ATOM 0 HE1 MET A 24 8.426 27.263 2.924 1.00 1.24 H new ATOM 0 HE2 MET A 24 9.820 26.433 3.655 1.00 1.24 H new ATOM 0 HE3 MET A 24 9.683 28.205 3.760 1.00 1.24 H new ATOM 375 N LEU A 25 13.756 24.846 -1.899 1.00 0.13 N ATOM 376 CA LEU A 25 14.132 24.753 -3.316 1.00 0.21 C ATOM 377 C LEU A 25 14.262 23.348 -3.834 1.00 0.17 C ATOM 378 O LEU A 25 13.640 22.991 -4.808 1.00 0.16 O ATOM 379 CB LEU A 25 15.341 25.569 -3.462 1.00 0.28 C ATOM 380 CG LEU A 25 15.001 27.079 -3.294 1.00 0.28 C ATOM 381 CD1 LEU A 25 15.474 27.680 -4.500 1.00 0.32 C ATOM 382 CD2 LEU A 25 13.538 27.497 -3.146 1.00 0.25 C ATOM 0 H LEU A 25 14.149 25.663 -1.431 1.00 0.13 H new ATOM 0 HA LEU A 25 13.333 25.137 -3.950 1.00 0.21 H new ATOM 0 HB2 LEU A 25 16.080 25.271 -2.718 1.00 0.28 H new ATOM 0 HB3 LEU A 25 15.787 25.397 -4.441 1.00 0.28 H new ATOM 0 HG LEU A 25 15.451 27.383 -2.349 1.00 0.28 H new ATOM 0 HD11 LEU A 25 15.277 28.752 -4.474 1.00 0.32 H new ATOM 0 HD12 LEU A 25 16.547 27.510 -4.595 1.00 0.32 H new ATOM 0 HD13 LEU A 25 14.960 27.237 -5.353 1.00 0.32 H new ATOM 0 HD21 LEU A 25 13.478 28.580 -3.039 1.00 0.25 H new ATOM 0 HD22 LEU A 25 12.980 27.188 -4.030 1.00 0.25 H new ATOM 0 HD23 LEU A 25 13.111 27.021 -2.263 1.00 0.25 H new ATOM 394 N PHE A 26 15.077 22.618 -3.137 1.00 0.25 N ATOM 395 CA PHE A 26 15.313 21.194 -3.520 1.00 0.35 C ATOM 396 C PHE A 26 13.974 20.430 -3.631 1.00 0.34 C ATOM 397 O PHE A 26 13.547 20.012 -4.687 1.00 0.30 O ATOM 398 CB PHE A 26 16.175 20.561 -2.441 1.00 0.48 C ATOM 399 CG PHE A 26 16.333 19.130 -2.929 1.00 0.65 C ATOM 400 CD1 PHE A 26 17.018 18.842 -4.090 1.00 0.96 C ATOM 401 CD2 PHE A 26 15.732 18.131 -2.220 1.00 1.88 C ATOM 402 CE1 PHE A 26 17.097 17.550 -4.545 1.00 0.97 C ATOM 403 CE2 PHE A 26 15.805 16.842 -2.665 1.00 2.02 C ATOM 404 CZ PHE A 26 16.485 16.553 -3.825 1.00 0.98 C ATOM 0 H PHE A 26 15.593 22.940 -2.318 1.00 0.25 H new ATOM 0 HA PHE A 26 15.808 21.148 -4.490 1.00 0.35 H new ATOM 0 HB2 PHE A 26 17.137 21.064 -2.346 1.00 0.48 H new ATOM 0 HB3 PHE A 26 15.695 20.604 -1.463 1.00 0.48 H new ATOM 0 HD1 PHE A 26 17.495 19.637 -4.644 1.00 0.96 H new ATOM 0 HD2 PHE A 26 15.200 18.359 -1.309 1.00 1.88 H new ATOM 0 HE1 PHE A 26 17.632 17.321 -5.455 1.00 0.97 H new ATOM 0 HE2 PHE A 26 15.329 16.050 -2.106 1.00 2.02 H new ATOM 0 HZ PHE A 26 16.538 15.532 -4.173 1.00 0.98 H new ATOM 414 N ILE A 27 13.384 20.291 -2.483 1.00 0.39 N ATOM 415 CA ILE A 27 12.076 19.606 -2.317 1.00 0.41 C ATOM 416 C ILE A 27 11.131 20.142 -3.412 1.00 0.34 C ATOM 417 O ILE A 27 10.602 19.409 -4.205 1.00 0.46 O ATOM 418 CB ILE A 27 11.662 20.038 -0.893 1.00 0.41 C ATOM 419 CG1 ILE A 27 11.954 19.017 0.238 1.00 0.46 C ATOM 420 CG2 ILE A 27 10.160 20.314 -0.768 1.00 0.42 C ATOM 421 CD1 ILE A 27 13.357 18.401 0.249 1.00 0.45 C ATOM 0 H ILE A 27 13.776 20.642 -1.609 1.00 0.39 H new ATOM 0 HA ILE A 27 12.076 18.521 -2.417 1.00 0.41 H new ATOM 0 HB ILE A 27 12.278 20.928 -0.762 1.00 0.41 H new ATOM 0 HG12 ILE A 27 11.789 19.511 1.196 1.00 0.46 H new ATOM 0 HG13 ILE A 27 11.226 18.209 0.166 1.00 0.46 H new ATOM 0 HG21 ILE A 27 9.929 20.613 0.254 1.00 0.42 H new ATOM 0 HG22 ILE A 27 9.879 21.114 -1.453 1.00 0.42 H new ATOM 0 HG23 ILE A 27 9.602 19.411 -1.016 1.00 0.42 H new ATOM 0 HD11 ILE A 27 13.442 17.704 1.083 1.00 0.45 H new ATOM 0 HD12 ILE A 27 13.528 17.869 -0.687 1.00 0.45 H new ATOM 0 HD13 ILE A 27 14.100 19.191 0.359 1.00 0.45 H new ATOM 433 N TYR A 28 10.955 21.431 -3.431 1.00 0.22 N ATOM 434 CA TYR A 28 10.066 22.099 -4.431 1.00 0.25 C ATOM 435 C TYR A 28 10.372 21.703 -5.867 1.00 0.21 C ATOM 436 O TYR A 28 9.569 21.131 -6.565 1.00 0.26 O ATOM 437 CB TYR A 28 10.338 23.623 -4.350 1.00 0.34 C ATOM 438 CG TYR A 28 9.577 24.348 -5.477 1.00 0.43 C ATOM 439 CD1 TYR A 28 8.199 24.361 -5.451 1.00 0.95 C ATOM 440 CD2 TYR A 28 10.242 24.993 -6.511 1.00 1.73 C ATOM 441 CE1 TYR A 28 7.480 25.009 -6.435 1.00 0.86 C ATOM 442 CE2 TYR A 28 9.496 25.639 -7.502 1.00 1.81 C ATOM 443 CZ TYR A 28 8.119 25.650 -7.466 1.00 0.59 C ATOM 444 OH TYR A 28 7.365 26.269 -8.449 1.00 0.63 O ATOM 0 H TYR A 28 11.403 22.072 -2.776 1.00 0.22 H new ATOM 0 HA TYR A 28 9.042 21.808 -4.196 1.00 0.25 H new ATOM 0 HB2 TYR A 28 10.023 24.007 -3.380 1.00 0.34 H new ATOM 0 HB3 TYR A 28 11.407 23.816 -4.437 1.00 0.34 H new ATOM 0 HD1 TYR A 28 7.676 23.858 -4.651 1.00 0.95 H new ATOM 0 HD2 TYR A 28 11.321 24.996 -6.550 1.00 1.73 H new ATOM 0 HE1 TYR A 28 6.401 25.011 -6.393 1.00 0.86 H new ATOM 0 HE2 TYR A 28 10.009 26.139 -8.311 1.00 1.81 H new ATOM 0 HH TYR A 28 7.328 25.696 -9.243 1.00 0.63 H new ATOM 454 N SER A 29 11.568 22.037 -6.233 1.00 0.15 N ATOM 455 CA SER A 29 12.105 21.781 -7.583 1.00 0.19 C ATOM 456 C SER A 29 11.845 20.337 -8.039 1.00 0.16 C ATOM 457 O SER A 29 11.181 20.048 -9.019 1.00 0.20 O ATOM 458 CB SER A 29 13.604 22.158 -7.519 1.00 0.22 C ATOM 459 OG SER A 29 14.241 21.194 -6.694 1.00 0.20 O ATOM 0 H SER A 29 12.230 22.504 -5.613 1.00 0.15 H new ATOM 0 HA SER A 29 11.604 22.382 -8.342 1.00 0.19 H new ATOM 0 HB2 SER A 29 14.043 22.162 -8.517 1.00 0.22 H new ATOM 0 HB3 SER A 29 13.732 23.160 -7.110 1.00 0.22 H new ATOM 0 HG SER A 29 13.911 21.280 -5.775 1.00 0.20 H new ATOM 465 N HIS A 30 12.390 19.452 -7.260 1.00 0.15 N ATOM 466 CA HIS A 30 12.271 18.010 -7.511 1.00 0.18 C ATOM 467 C HIS A 30 10.820 17.553 -7.358 1.00 0.18 C ATOM 468 O HIS A 30 10.315 16.900 -8.240 1.00 0.19 O ATOM 469 CB HIS A 30 13.225 17.386 -6.501 1.00 0.18 C ATOM 470 CG HIS A 30 14.646 17.564 -7.020 1.00 0.19 C ATOM 471 ND1 HIS A 30 15.246 18.692 -7.188 1.00 0.62 N ATOM 472 CD2 HIS A 30 15.568 16.620 -7.418 1.00 0.92 C ATOM 473 CE1 HIS A 30 16.439 18.480 -7.648 1.00 0.39 C ATOM 474 NE2 HIS A 30 16.683 17.204 -7.808 1.00 0.60 N ATOM 0 H HIS A 30 12.933 19.688 -6.429 1.00 0.15 H new ATOM 0 HA HIS A 30 12.534 17.713 -8.526 1.00 0.18 H new ATOM 0 HB2 HIS A 30 13.113 17.862 -5.527 1.00 0.18 H new ATOM 0 HB3 HIS A 30 12.999 16.328 -6.367 1.00 0.18 H new ATOM 0 HD1 HIS A 30 14.845 19.609 -6.990 1.00 0.62 H new ATOM 0 HD2 HIS A 30 15.400 15.553 -7.411 1.00 0.92 H new ATOM 0 HE1 HIS A 30 17.148 19.263 -7.873 1.00 0.39 H new ATOM 482 N TYR A 31 10.187 17.917 -6.269 1.00 0.16 N ATOM 483 CA TYR A 31 8.761 17.528 -6.006 1.00 0.15 C ATOM 484 C TYR A 31 7.983 17.839 -7.238 1.00 0.14 C ATOM 485 O TYR A 31 7.423 16.986 -7.890 1.00 0.21 O ATOM 486 CB TYR A 31 8.026 18.373 -4.896 1.00 0.17 C ATOM 487 CG TYR A 31 6.640 17.755 -4.600 1.00 0.20 C ATOM 488 CD1 TYR A 31 6.529 16.692 -3.715 1.00 0.70 C ATOM 489 CD2 TYR A 31 5.491 18.242 -5.206 1.00 0.98 C ATOM 490 CE1 TYR A 31 5.309 16.123 -3.440 1.00 0.69 C ATOM 491 CE2 TYR A 31 4.255 17.659 -4.914 1.00 0.99 C ATOM 492 CZ TYR A 31 4.164 16.590 -4.023 1.00 0.24 C ATOM 493 OH TYR A 31 2.973 15.966 -3.710 1.00 0.25 O ATOM 0 H TYR A 31 10.609 18.482 -5.532 1.00 0.16 H new ATOM 0 HA TYR A 31 8.801 16.484 -5.696 1.00 0.15 H new ATOM 0 HB2 TYR A 31 8.626 18.396 -3.986 1.00 0.17 H new ATOM 0 HB3 TYR A 31 7.911 19.405 -5.228 1.00 0.17 H new ATOM 0 HD1 TYR A 31 7.416 16.306 -3.235 1.00 0.70 H new ATOM 0 HD2 TYR A 31 5.551 19.067 -5.900 1.00 0.98 H new ATOM 0 HE1 TYR A 31 5.254 15.293 -2.752 1.00 0.69 H new ATOM 0 HE2 TYR A 31 3.360 18.041 -5.384 1.00 0.99 H new ATOM 0 HH TYR A 31 3.153 15.055 -3.397 1.00 0.25 H new ATOM 503 N LYS A 32 7.980 19.104 -7.523 1.00 0.12 N ATOM 504 CA LYS A 32 7.258 19.575 -8.701 1.00 0.12 C ATOM 505 C LYS A 32 7.690 18.720 -9.899 1.00 0.11 C ATOM 506 O LYS A 32 6.798 18.184 -10.518 1.00 0.12 O ATOM 507 CB LYS A 32 7.434 21.046 -8.648 1.00 0.09 C ATOM 508 CG LYS A 32 6.916 21.646 -7.295 1.00 0.08 C ATOM 509 CD LYS A 32 5.406 21.449 -7.023 1.00 0.15 C ATOM 510 CE LYS A 32 4.676 22.641 -7.533 1.00 0.26 C ATOM 511 NZ LYS A 32 3.269 22.613 -7.017 1.00 0.70 N ATOM 0 H LYS A 32 8.452 19.827 -6.981 1.00 0.12 H new ATOM 0 HA LYS A 32 6.179 19.440 -8.775 1.00 0.12 H new ATOM 0 HB2 LYS A 32 8.489 21.291 -8.774 1.00 0.09 H new ATOM 0 HB3 LYS A 32 6.899 21.506 -9.478 1.00 0.09 H new ATOM 0 HG2 LYS A 32 7.478 21.195 -6.477 1.00 0.08 H new ATOM 0 HG3 LYS A 32 7.135 22.714 -7.282 1.00 0.08 H new ATOM 0 HD2 LYS A 32 5.047 20.545 -7.516 1.00 0.15 H new ATOM 0 HD3 LYS A 32 5.227 21.323 -5.955 1.00 0.15 H new ATOM 0 HE2 LYS A 32 5.176 23.554 -7.211 1.00 0.26 H new ATOM 0 HE3 LYS A 32 4.677 22.644 -8.623 1.00 0.26 H new ATOM 0 HZ1 LYS A 32 2.753 23.444 -7.370 1.00 0.70 H new ATOM 0 HZ2 LYS A 32 2.796 21.747 -7.345 1.00 0.70 H new ATOM 0 HZ3 LYS A 32 3.280 22.629 -5.977 1.00 0.70 H new ATOM 525 N GLN A 33 8.955 18.579 -10.222 1.00 0.19 N ATOM 526 CA GLN A 33 9.279 17.692 -11.416 1.00 0.18 C ATOM 527 C GLN A 33 8.590 16.318 -11.313 1.00 0.25 C ATOM 528 O GLN A 33 7.875 15.891 -12.192 1.00 0.32 O ATOM 529 CB GLN A 33 10.779 17.366 -11.444 1.00 0.29 C ATOM 530 CG GLN A 33 11.591 18.355 -12.251 1.00 0.30 C ATOM 531 CD GLN A 33 11.555 18.108 -13.760 1.00 0.41 C ATOM 532 OE1 GLN A 33 12.565 18.123 -14.419 1.00 0.85 O ATOM 533 NE2 GLN A 33 10.447 17.880 -14.385 1.00 0.47 N ATOM 0 H GLN A 33 9.749 19.009 -9.747 1.00 0.19 H new ATOM 0 HA GLN A 33 8.944 18.243 -12.295 1.00 0.18 H new ATOM 0 HB2 GLN A 33 11.158 17.343 -10.422 1.00 0.29 H new ATOM 0 HB3 GLN A 33 10.919 16.368 -11.858 1.00 0.29 H new ATOM 0 HG2 GLN A 33 11.223 19.361 -12.049 1.00 0.30 H new ATOM 0 HG3 GLN A 33 12.627 18.320 -11.913 1.00 0.30 H new ATOM 0 HE21 GLN A 33 9.567 17.857 -13.871 1.00 0.47 H new ATOM 0 HE22 GLN A 33 10.453 17.723 -15.393 1.00 0.47 H new ATOM 542 N ALA A 34 8.864 15.694 -10.211 1.00 0.26 N ATOM 543 CA ALA A 34 8.336 14.349 -9.853 1.00 0.33 C ATOM 544 C ALA A 34 6.823 14.128 -9.950 1.00 0.34 C ATOM 545 O ALA A 34 6.361 13.123 -10.446 1.00 0.42 O ATOM 546 CB ALA A 34 8.689 14.151 -8.362 1.00 0.34 C ATOM 0 H ALA A 34 9.474 16.088 -9.495 1.00 0.26 H new ATOM 0 HA ALA A 34 8.777 13.661 -10.574 1.00 0.33 H new ATOM 0 HB1 ALA A 34 8.329 13.178 -8.029 1.00 0.34 H new ATOM 0 HB2 ALA A 34 9.770 14.201 -8.234 1.00 0.34 H new ATOM 0 HB3 ALA A 34 8.217 14.935 -7.769 1.00 0.34 H new ATOM 552 N THR A 35 6.129 15.103 -9.457 1.00 0.28 N ATOM 553 CA THR A 35 4.625 15.117 -9.408 1.00 0.29 C ATOM 554 C THR A 35 3.852 15.840 -10.498 1.00 0.33 C ATOM 555 O THR A 35 2.903 15.317 -11.040 1.00 0.52 O ATOM 556 CB THR A 35 4.273 15.847 -8.110 1.00 0.21 C ATOM 557 OG1 THR A 35 4.847 17.136 -8.251 1.00 0.24 O ATOM 558 CG2 THR A 35 5.079 15.257 -6.974 1.00 0.13 C ATOM 0 H THR A 35 6.555 15.941 -9.062 1.00 0.28 H new ATOM 0 HA THR A 35 4.336 14.072 -9.517 1.00 0.29 H new ATOM 0 HB THR A 35 3.199 15.808 -7.929 1.00 0.21 H new ATOM 0 HG1 THR A 35 5.703 17.167 -7.775 1.00 0.24 H new ATOM 0 HG21 THR A 35 4.832 15.773 -6.046 1.00 0.13 H new ATOM 0 HG22 THR A 35 4.844 14.197 -6.873 1.00 0.13 H new ATOM 0 HG23 THR A 35 6.142 15.374 -7.183 1.00 0.13 H new ATOM 566 N VAL A 36 4.310 17.017 -10.763 1.00 0.18 N ATOM 567 CA VAL A 36 3.708 17.927 -11.793 1.00 0.23 C ATOM 568 C VAL A 36 4.384 17.767 -13.150 1.00 0.30 C ATOM 569 O VAL A 36 3.771 17.609 -14.191 1.00 0.49 O ATOM 570 CB VAL A 36 4.048 19.382 -11.327 1.00 0.20 C ATOM 571 CG1 VAL A 36 3.490 20.387 -12.290 1.00 0.26 C ATOM 572 CG2 VAL A 36 3.569 19.668 -9.939 1.00 0.21 C ATOM 0 H VAL A 36 5.120 17.418 -10.289 1.00 0.18 H new ATOM 0 HA VAL A 36 2.644 17.708 -11.887 1.00 0.23 H new ATOM 0 HB VAL A 36 5.135 19.464 -11.313 1.00 0.20 H new ATOM 0 HG11 VAL A 36 3.736 21.393 -11.950 1.00 0.26 H new ATOM 0 HG12 VAL A 36 3.921 20.223 -13.278 1.00 0.26 H new ATOM 0 HG13 VAL A 36 2.407 20.277 -12.344 1.00 0.26 H new ATOM 0 HG21 VAL A 36 3.831 20.690 -9.667 1.00 0.21 H new ATOM 0 HG22 VAL A 36 2.487 19.547 -9.896 1.00 0.21 H new ATOM 0 HG23 VAL A 36 4.040 18.975 -9.242 1.00 0.21 H new ATOM 582 N GLY A 37 5.678 17.841 -13.040 1.00 0.16 N ATOM 583 CA GLY A 37 6.602 17.721 -14.216 1.00 0.21 C ATOM 584 C GLY A 37 7.483 18.961 -14.442 1.00 0.14 C ATOM 585 O GLY A 37 7.916 19.673 -13.552 1.00 0.15 O ATOM 0 H GLY A 37 6.158 17.985 -12.152 1.00 0.16 H new ATOM 0 HA2 GLY A 37 7.244 16.852 -14.075 1.00 0.21 H new ATOM 0 HA3 GLY A 37 6.011 17.538 -15.113 1.00 0.21 H new ATOM 589 N ASP A 38 7.734 19.155 -15.701 1.00 0.17 N ATOM 590 CA ASP A 38 8.548 20.270 -16.253 1.00 0.30 C ATOM 591 C ASP A 38 7.942 21.649 -15.967 1.00 0.44 C ATOM 592 O ASP A 38 6.970 22.031 -16.586 1.00 0.84 O ATOM 593 CB ASP A 38 8.526 19.955 -17.765 1.00 0.29 C ATOM 594 CG ASP A 38 9.481 18.816 -18.064 1.00 0.27 C ATOM 595 OD1 ASP A 38 9.446 17.867 -17.302 1.00 0.92 O ATOM 596 OD2 ASP A 38 10.201 18.962 -19.032 1.00 0.94 O ATOM 0 H ASP A 38 7.377 18.533 -16.426 1.00 0.17 H new ATOM 0 HA ASP A 38 9.544 20.327 -15.815 1.00 0.30 H new ATOM 0 HB2 ASP A 38 7.516 19.687 -18.076 1.00 0.29 H new ATOM 0 HB3 ASP A 38 8.810 20.840 -18.335 1.00 0.29 H new ATOM 601 N ILE A 39 8.563 22.341 -15.038 1.00 0.25 N ATOM 602 CA ILE A 39 8.133 23.711 -14.602 1.00 0.30 C ATOM 603 C ILE A 39 7.146 24.358 -15.565 1.00 0.40 C ATOM 604 O ILE A 39 7.420 25.110 -16.476 1.00 0.42 O ATOM 605 CB ILE A 39 9.305 24.518 -14.162 1.00 0.33 C ATOM 606 CG1 ILE A 39 8.674 25.634 -13.305 1.00 0.31 C ATOM 607 CG2 ILE A 39 10.101 25.049 -15.350 1.00 0.32 C ATOM 608 CD1 ILE A 39 9.771 26.228 -12.524 1.00 0.30 C ATOM 0 H ILE A 39 9.386 21.995 -14.544 1.00 0.25 H new ATOM 0 HA ILE A 39 7.523 23.634 -13.702 1.00 0.30 H new ATOM 0 HB ILE A 39 10.038 23.942 -13.598 1.00 0.33 H new ATOM 0 HG12 ILE A 39 8.195 26.384 -13.935 1.00 0.31 H new ATOM 0 HG13 ILE A 39 7.903 25.231 -12.648 1.00 0.31 H new ATOM 0 HG21 ILE A 39 10.948 25.633 -14.989 1.00 0.32 H new ATOM 0 HG22 ILE A 39 10.465 24.213 -15.947 1.00 0.32 H new ATOM 0 HG23 ILE A 39 9.460 25.682 -15.964 1.00 0.32 H new ATOM 0 HD11 ILE A 39 9.379 27.028 -11.896 1.00 0.30 H new ATOM 0 HD12 ILE A 39 10.226 25.463 -11.895 1.00 0.30 H new ATOM 0 HD13 ILE A 39 10.522 26.634 -13.202 1.00 0.30 H new ATOM 620 N ASN A 40 5.960 23.964 -15.239 1.00 0.46 N ATOM 621 CA ASN A 40 4.713 24.350 -15.934 1.00 0.50 C ATOM 622 C ASN A 40 3.814 25.174 -15.022 1.00 0.54 C ATOM 623 O ASN A 40 2.632 24.952 -14.857 1.00 0.85 O ATOM 624 CB ASN A 40 4.088 23.019 -16.426 1.00 0.90 C ATOM 625 CG ASN A 40 3.916 22.031 -15.279 1.00 0.77 C ATOM 626 OD1 ASN A 40 4.512 22.136 -14.228 1.00 1.79 O ATOM 627 ND2 ASN A 40 3.112 21.031 -15.427 1.00 0.81 N ATOM 0 H ASN A 40 5.794 23.337 -14.452 1.00 0.46 H new ATOM 0 HA ASN A 40 4.884 25.007 -16.787 1.00 0.50 H new ATOM 0 HB2 ASN A 40 3.120 23.217 -16.886 1.00 0.90 H new ATOM 0 HB3 ASN A 40 4.723 22.579 -17.196 1.00 0.90 H new ATOM 0 HD21 ASN A 40 2.992 20.357 -14.671 1.00 0.81 H new ATOM 0 HD22 ASN A 40 2.597 20.916 -16.300 1.00 0.81 H new ATOM 634 N THR A 41 4.512 26.105 -14.449 1.00 0.40 N ATOM 635 CA THR A 41 3.965 27.132 -13.501 1.00 0.44 C ATOM 636 C THR A 41 4.340 28.398 -14.281 1.00 0.54 C ATOM 637 O THR A 41 3.580 28.880 -15.088 1.00 1.09 O ATOM 638 CB THR A 41 4.711 27.136 -12.120 1.00 0.38 C ATOM 639 OG1 THR A 41 6.090 26.849 -12.350 1.00 0.54 O ATOM 640 CG2 THR A 41 4.367 26.040 -11.217 1.00 0.41 C ATOM 0 H THR A 41 5.514 26.208 -14.608 1.00 0.40 H new ATOM 0 HA THR A 41 2.914 26.993 -13.249 1.00 0.44 H new ATOM 0 HB THR A 41 4.452 28.104 -11.691 1.00 0.38 H new ATOM 0 HG1 THR A 41 6.571 26.849 -11.496 1.00 0.54 H new ATOM 0 HG21 THR A 41 4.937 26.137 -10.293 1.00 0.41 H new ATOM 0 HG22 THR A 41 3.301 26.076 -10.991 1.00 0.41 H new ATOM 0 HG23 THR A 41 4.605 25.088 -11.692 1.00 0.41 H new ATOM 648 N GLU A 42 5.531 28.823 -13.971 1.00 0.75 N ATOM 649 CA GLU A 42 6.308 29.983 -14.467 1.00 0.77 C ATOM 650 C GLU A 42 6.968 30.785 -13.350 1.00 0.48 C ATOM 651 O GLU A 42 6.647 30.716 -12.179 1.00 0.59 O ATOM 652 CB GLU A 42 5.516 30.952 -15.219 1.00 0.98 C ATOM 653 CG GLU A 42 4.501 31.574 -14.281 1.00 0.15 C ATOM 654 CD GLU A 42 3.435 32.429 -14.991 1.00 0.36 C ATOM 655 OE1 GLU A 42 2.969 32.053 -16.057 1.00 1.24 O ATOM 656 OE2 GLU A 42 3.141 33.444 -14.388 1.00 0.98 O ATOM 0 H GLU A 42 6.074 28.313 -13.274 1.00 0.75 H new ATOM 0 HA GLU A 42 7.048 29.508 -15.111 1.00 0.77 H new ATOM 0 HB2 GLU A 42 6.161 31.721 -15.643 1.00 0.98 H new ATOM 0 HB3 GLU A 42 5.012 30.464 -16.053 1.00 0.98 H new ATOM 0 HG2 GLU A 42 4.003 30.781 -13.723 1.00 0.15 H new ATOM 0 HG3 GLU A 42 5.025 32.195 -13.554 1.00 0.15 H new ATOM 663 N ARG A 43 7.882 31.526 -13.881 1.00 0.27 N ATOM 664 CA ARG A 43 8.744 32.444 -13.122 1.00 0.18 C ATOM 665 C ARG A 43 8.104 33.753 -12.588 1.00 0.39 C ATOM 666 O ARG A 43 7.769 34.633 -13.357 1.00 0.42 O ATOM 667 CB ARG A 43 9.869 32.771 -14.108 1.00 0.33 C ATOM 668 CG ARG A 43 10.980 33.437 -13.327 1.00 0.56 C ATOM 669 CD ARG A 43 12.176 33.587 -14.251 1.00 0.63 C ATOM 670 NE ARG A 43 13.239 34.261 -13.432 1.00 1.04 N ATOM 671 CZ ARG A 43 14.219 33.592 -12.961 1.00 0.96 C ATOM 672 NH1 ARG A 43 14.919 32.870 -13.739 1.00 1.62 N ATOM 673 NH2 ARG A 43 14.426 33.687 -11.711 1.00 1.97 N ATOM 0 H ARG A 43 8.076 31.528 -14.882 1.00 0.27 H new ATOM 0 HA ARG A 43 9.044 31.953 -12.196 1.00 0.18 H new ATOM 0 HB2 ARG A 43 10.231 31.863 -14.591 1.00 0.33 H new ATOM 0 HB3 ARG A 43 9.507 33.430 -14.897 1.00 0.33 H new ATOM 0 HG2 ARG A 43 10.657 34.411 -12.960 1.00 0.56 H new ATOM 0 HG3 ARG A 43 11.244 32.839 -12.455 1.00 0.56 H new ATOM 0 HD2 ARG A 43 12.516 32.616 -14.612 1.00 0.63 H new ATOM 0 HD3 ARG A 43 11.921 34.182 -15.128 1.00 0.63 H new ATOM 0 HE ARG A 43 13.177 35.263 -13.250 1.00 1.04 H new ATOM 0 HH11 ARG A 43 14.696 32.828 -14.733 1.00 1.62 H new ATOM 0 HH12 ARG A 43 15.703 32.333 -13.369 1.00 1.62 H new ATOM 0 HH21 ARG A 43 13.823 34.276 -11.137 1.00 1.97 H new ATOM 0 HH22 ARG A 43 15.196 33.174 -11.281 1.00 1.97 H new ATOM 805 N LYS A 52 10.820 33.387 -6.770 1.00 0.26 N ATOM 806 CA LYS A 52 11.685 33.079 -7.945 1.00 0.19 C ATOM 807 C LYS A 52 12.751 32.024 -7.758 1.00 0.26 C ATOM 808 O LYS A 52 12.953 31.225 -8.649 1.00 0.45 O ATOM 809 CB LYS A 52 12.282 34.425 -8.387 1.00 0.16 C ATOM 810 CG LYS A 52 11.263 35.081 -9.372 1.00 1.64 C ATOM 811 CD LYS A 52 11.078 36.610 -9.129 1.00 2.43 C ATOM 812 CE LYS A 52 11.729 37.468 -10.208 1.00 2.91 C ATOM 813 NZ LYS A 52 11.248 38.869 -10.004 1.00 3.74 N ATOM 0 HA LYS A 52 11.059 32.611 -8.705 1.00 0.19 H new ATOM 0 HB2 LYS A 52 12.455 35.071 -7.526 1.00 0.16 H new ATOM 0 HB3 LYS A 52 13.246 34.277 -8.873 1.00 0.16 H new ATOM 0 HG2 LYS A 52 11.601 34.920 -10.396 1.00 1.64 H new ATOM 0 HG3 LYS A 52 10.298 34.584 -9.272 1.00 1.64 H new ATOM 0 HD2 LYS A 52 10.013 36.839 -9.084 1.00 2.43 H new ATOM 0 HD3 LYS A 52 11.502 36.872 -8.159 1.00 2.43 H new ATOM 0 HE2 LYS A 52 12.816 37.419 -10.136 1.00 2.91 H new ATOM 0 HE3 LYS A 52 11.459 37.109 -11.201 1.00 2.91 H new ATOM 0 HZ1 LYS A 52 11.671 39.490 -10.723 1.00 3.74 H new ATOM 0 HZ2 LYS A 52 10.212 38.896 -10.089 1.00 3.74 H new ATOM 0 HZ3 LYS A 52 11.526 39.197 -9.057 1.00 3.74 H new ATOM 827 N ALA A 53 13.408 32.025 -6.636 1.00 0.24 N ATOM 828 CA ALA A 53 14.459 30.985 -6.446 1.00 0.37 C ATOM 829 C ALA A 53 13.811 29.605 -6.748 1.00 0.43 C ATOM 830 O ALA A 53 14.284 28.848 -7.567 1.00 0.46 O ATOM 831 CB ALA A 53 14.869 31.168 -5.040 1.00 0.53 C ATOM 0 H ALA A 53 13.273 32.677 -5.863 1.00 0.24 H new ATOM 0 HA ALA A 53 15.330 31.053 -7.097 1.00 0.37 H new ATOM 0 HB1 ALA A 53 15.647 30.446 -4.791 1.00 0.53 H new ATOM 0 HB2 ALA A 53 15.254 32.178 -4.902 1.00 0.53 H new ATOM 0 HB3 ALA A 53 14.009 31.015 -4.387 1.00 0.53 H new ATOM 837 N LYS A 54 12.717 29.322 -6.078 1.00 0.45 N ATOM 838 CA LYS A 54 11.977 28.031 -6.280 1.00 0.50 C ATOM 839 C LYS A 54 11.847 27.739 -7.778 1.00 0.53 C ATOM 840 O LYS A 54 12.179 26.685 -8.288 1.00 0.54 O ATOM 841 CB LYS A 54 10.513 28.270 -5.744 1.00 0.50 C ATOM 842 CG LYS A 54 10.435 28.392 -4.221 1.00 0.46 C ATOM 843 CD LYS A 54 9.968 27.070 -3.556 1.00 1.45 C ATOM 844 CE LYS A 54 9.430 27.360 -2.127 1.00 1.43 C ATOM 845 NZ LYS A 54 10.467 28.053 -1.296 1.00 1.20 N ATOM 0 H LYS A 54 12.297 29.943 -5.386 1.00 0.45 H new ATOM 0 HA LYS A 54 12.495 27.214 -5.778 1.00 0.50 H new ATOM 0 HB2 LYS A 54 10.113 29.178 -6.195 1.00 0.50 H new ATOM 0 HB3 LYS A 54 9.877 27.447 -6.068 1.00 0.50 H new ATOM 0 HG2 LYS A 54 11.413 28.669 -3.829 1.00 0.46 H new ATOM 0 HG3 LYS A 54 9.746 29.194 -3.956 1.00 0.46 H new ATOM 0 HD2 LYS A 54 9.189 26.604 -4.160 1.00 1.45 H new ATOM 0 HD3 LYS A 54 10.798 26.365 -3.506 1.00 1.45 H new ATOM 0 HE2 LYS A 54 8.535 27.979 -2.190 1.00 1.43 H new ATOM 0 HE3 LYS A 54 9.138 26.426 -1.647 1.00 1.43 H new ATOM 0 HZ1 LYS A 54 10.266 27.895 -0.288 1.00 1.20 H new ATOM 0 HZ2 LYS A 54 11.407 27.672 -1.526 1.00 1.20 H new ATOM 0 HZ3 LYS A 54 10.448 29.073 -1.497 1.00 1.20 H new ATOM 859 N TRP A 55 11.346 28.755 -8.425 1.00 0.53 N ATOM 860 CA TRP A 55 11.115 28.703 -9.872 1.00 0.54 C ATOM 861 C TRP A 55 12.323 28.174 -10.591 1.00 0.53 C ATOM 862 O TRP A 55 12.297 27.179 -11.286 1.00 0.54 O ATOM 863 CB TRP A 55 10.795 30.111 -10.390 1.00 0.57 C ATOM 864 CG TRP A 55 10.296 29.754 -11.760 1.00 0.56 C ATOM 865 CD1 TRP A 55 9.026 29.405 -11.977 1.00 0.56 C ATOM 866 CD2 TRP A 55 10.993 29.641 -12.900 1.00 0.56 C ATOM 867 NE1 TRP A 55 9.008 29.084 -13.230 1.00 0.54 N ATOM 868 CE2 TRP A 55 10.137 29.199 -13.868 1.00 0.55 C ATOM 869 CE3 TRP A 55 12.302 29.875 -13.228 1.00 0.56 C ATOM 870 CZ2 TRP A 55 10.522 28.985 -15.137 1.00 0.55 C ATOM 871 CZ3 TRP A 55 12.716 29.660 -14.517 1.00 0.56 C ATOM 872 CH2 TRP A 55 11.830 29.215 -15.483 1.00 0.55 C ATOM 0 H TRP A 55 11.084 29.638 -7.987 1.00 0.53 H new ATOM 0 HA TRP A 55 10.276 28.033 -10.062 1.00 0.54 H new ATOM 0 HB2 TRP A 55 10.042 30.619 -9.788 1.00 0.57 H new ATOM 0 HB3 TRP A 55 11.672 30.758 -10.417 1.00 0.57 H new ATOM 0 HD1 TRP A 55 8.207 29.393 -11.273 1.00 0.56 H new ATOM 0 HE1 TRP A 55 8.158 28.759 -13.692 1.00 0.54 H new ATOM 0 HE3 TRP A 55 12.999 30.224 -12.481 1.00 0.56 H new ATOM 0 HZ2 TRP A 55 9.813 28.637 -15.874 1.00 0.55 H new ATOM 0 HZ3 TRP A 55 13.747 29.840 -14.782 1.00 0.56 H new ATOM 0 HH2 TRP A 55 12.164 29.051 -16.497 1.00 0.55 H new ATOM 883 N ASP A 56 13.354 28.905 -10.365 1.00 0.55 N ATOM 884 CA ASP A 56 14.633 28.509 -11.014 1.00 0.57 C ATOM 885 C ASP A 56 15.079 27.106 -10.570 1.00 0.51 C ATOM 886 O ASP A 56 15.369 26.282 -11.412 1.00 0.51 O ATOM 887 CB ASP A 56 15.605 29.627 -10.770 1.00 0.65 C ATOM 888 CG ASP A 56 15.733 30.565 -11.952 1.00 1.05 C ATOM 889 OD1 ASP A 56 15.400 30.229 -13.075 1.00 1.73 O ATOM 890 OD2 ASP A 56 16.184 31.654 -11.669 1.00 1.47 O ATOM 0 H ASP A 56 13.382 29.739 -9.778 1.00 0.55 H new ATOM 0 HA ASP A 56 14.538 28.389 -12.093 1.00 0.57 H new ATOM 0 HB2 ASP A 56 15.287 30.194 -9.895 1.00 0.65 H new ATOM 0 HB3 ASP A 56 16.584 29.207 -10.538 1.00 0.65 H new ATOM 895 N ALA A 57 15.119 26.873 -9.290 1.00 0.46 N ATOM 896 CA ALA A 57 15.529 25.549 -8.775 1.00 0.41 C ATOM 897 C ALA A 57 14.758 24.428 -9.518 1.00 0.41 C ATOM 898 O ALA A 57 15.325 23.438 -9.913 1.00 0.42 O ATOM 899 CB ALA A 57 15.239 25.616 -7.309 1.00 0.34 C ATOM 0 H ALA A 57 14.881 27.557 -8.572 1.00 0.46 H new ATOM 0 HA ALA A 57 16.580 25.313 -8.940 1.00 0.41 H new ATOM 0 HB1 ALA A 57 15.513 24.671 -6.840 1.00 0.34 H new ATOM 0 HB2 ALA A 57 15.816 26.425 -6.861 1.00 0.34 H new ATOM 0 HB3 ALA A 57 14.176 25.801 -7.157 1.00 0.34 H new ATOM 905 N TRP A 58 13.474 24.584 -9.683 1.00 0.42 N ATOM 906 CA TRP A 58 12.654 23.559 -10.400 1.00 0.42 C ATOM 907 C TRP A 58 12.952 23.644 -11.910 1.00 0.41 C ATOM 908 O TRP A 58 13.193 22.641 -12.556 1.00 0.38 O ATOM 909 CB TRP A 58 11.193 23.873 -10.150 1.00 0.41 C ATOM 910 CG TRP A 58 10.248 22.890 -10.898 1.00 0.35 C ATOM 911 CD1 TRP A 58 10.553 21.780 -11.661 1.00 0.32 C ATOM 912 CD2 TRP A 58 8.913 23.048 -10.906 1.00 0.32 C ATOM 913 NE1 TRP A 58 9.341 21.392 -12.055 1.00 0.26 N ATOM 914 CE2 TRP A 58 8.306 22.091 -11.655 1.00 0.26 C ATOM 915 CE3 TRP A 58 8.167 24.001 -10.278 1.00 0.34 C ATOM 916 CZ2 TRP A 58 6.942 22.070 -11.810 1.00 0.23 C ATOM 917 CZ3 TRP A 58 6.804 23.998 -10.411 1.00 0.32 C ATOM 918 CH2 TRP A 58 6.189 23.038 -11.180 1.00 0.26 C ATOM 0 H TRP A 58 12.947 25.390 -9.347 1.00 0.42 H new ATOM 0 HA TRP A 58 12.890 22.556 -10.045 1.00 0.42 H new ATOM 0 HB2 TRP A 58 10.990 23.827 -9.080 1.00 0.41 H new ATOM 0 HB3 TRP A 58 10.982 24.893 -10.470 1.00 0.41 H new ATOM 0 HD1 TRP A 58 11.516 21.343 -11.880 1.00 0.32 H new ATOM 0 HE1 TRP A 58 9.221 20.573 -12.652 1.00 0.26 H new ATOM 0 HE3 TRP A 58 8.650 24.757 -9.677 1.00 0.34 H new ATOM 0 HZ2 TRP A 58 6.468 21.310 -12.414 1.00 0.23 H new ATOM 0 HZ3 TRP A 58 6.212 24.750 -9.911 1.00 0.32 H new ATOM 0 HH2 TRP A 58 5.115 23.042 -11.291 1.00 0.26 H new ATOM 929 N ASN A 59 12.916 24.816 -12.479 1.00 0.46 N ATOM 930 CA ASN A 59 13.198 24.982 -13.930 1.00 0.47 C ATOM 931 C ASN A 59 14.517 24.249 -14.285 1.00 0.48 C ATOM 932 O ASN A 59 14.610 23.602 -15.310 1.00 0.56 O ATOM 933 CB ASN A 59 13.188 26.469 -14.084 1.00 0.45 C ATOM 934 CG ASN A 59 13.900 26.893 -15.308 1.00 0.47 C ATOM 935 OD1 ASN A 59 14.738 27.834 -15.068 1.00 0.51 O flip ATOM 936 ND2 ASN A 59 13.712 26.417 -16.410 1.00 0.43 N flip ATOM 0 H ASN A 59 12.698 25.683 -11.988 1.00 0.46 H new ATOM 0 HA ASN A 59 12.488 24.537 -14.628 1.00 0.47 H new ATOM 0 HB2 ASN A 59 12.158 26.825 -14.119 1.00 0.45 H new ATOM 0 HB3 ASN A 59 13.655 26.929 -13.213 1.00 0.45 H new ATOM 0 HD21 ASN A 59 13.030 25.669 -16.533 1.00 0.43 H new ATOM 0 HD22 ASN A 59 14.237 26.765 -17.212 1.00 0.43 H new ATOM 943 N GLU A 60 15.464 24.412 -13.408 1.00 0.42 N ATOM 944 CA GLU A 60 16.819 23.798 -13.507 1.00 0.41 C ATOM 945 C GLU A 60 16.682 22.297 -13.811 1.00 0.38 C ATOM 946 O GLU A 60 17.443 21.689 -14.535 1.00 0.38 O ATOM 947 CB GLU A 60 17.425 24.027 -12.125 1.00 0.31 C ATOM 948 CG GLU A 60 18.872 23.522 -11.945 1.00 0.70 C ATOM 949 CD GLU A 60 19.231 23.734 -10.471 1.00 1.49 C ATOM 950 OE1 GLU A 60 19.548 24.867 -10.149 1.00 1.32 O ATOM 951 OE2 GLU A 60 19.148 22.743 -9.764 1.00 2.70 O ATOM 0 H GLU A 60 15.344 24.984 -12.572 1.00 0.42 H new ATOM 0 HA GLU A 60 17.435 24.222 -14.300 1.00 0.41 H new ATOM 0 HB2 GLU A 60 17.401 25.095 -11.909 1.00 0.31 H new ATOM 0 HB3 GLU A 60 16.793 23.538 -11.384 1.00 0.31 H new ATOM 0 HG2 GLU A 60 18.951 22.469 -12.215 1.00 0.70 H new ATOM 0 HG3 GLU A 60 19.557 24.069 -12.593 1.00 0.70 H new ATOM 958 N LEU A 61 15.665 21.747 -13.221 1.00 0.36 N ATOM 959 CA LEU A 61 15.341 20.311 -13.372 1.00 0.36 C ATOM 960 C LEU A 61 14.630 19.939 -14.631 1.00 0.41 C ATOM 961 O LEU A 61 15.076 19.039 -15.318 1.00 0.59 O ATOM 962 CB LEU A 61 14.415 19.962 -12.319 1.00 0.32 C ATOM 963 CG LEU A 61 14.921 20.444 -11.012 1.00 0.25 C ATOM 964 CD1 LEU A 61 13.994 19.834 -10.118 1.00 0.25 C ATOM 965 CD2 LEU A 61 16.326 19.971 -10.743 1.00 0.26 C ATOM 0 H LEU A 61 15.021 22.257 -12.617 1.00 0.36 H new ATOM 0 HA LEU A 61 16.302 19.798 -13.359 1.00 0.36 H new ATOM 0 HB2 LEU A 61 13.438 20.401 -12.523 1.00 0.32 H new ATOM 0 HB3 LEU A 61 14.279 18.881 -12.288 1.00 0.32 H new ATOM 0 HG LEU A 61 14.981 21.530 -10.935 1.00 0.25 H new ATOM 0 HD11 LEU A 61 14.245 20.105 -9.093 1.00 0.25 H new ATOM 0 HD12 LEU A 61 12.986 20.179 -10.348 1.00 0.25 H new ATOM 0 HD13 LEU A 61 14.040 18.751 -10.229 1.00 0.25 H new ATOM 0 HD21 LEU A 61 16.657 20.347 -9.775 1.00 0.26 H new ATOM 0 HD22 LEU A 61 16.348 18.881 -10.736 1.00 0.26 H new ATOM 0 HD23 LEU A 61 16.991 20.342 -11.523 1.00 0.26 H new ATOM 977 N LYS A 62 13.549 20.670 -14.827 1.00 0.38 N ATOM 978 CA LYS A 62 12.638 20.518 -16.007 1.00 0.40 C ATOM 979 C LYS A 62 13.375 19.679 -17.060 1.00 0.48 C ATOM 980 O LYS A 62 14.172 20.156 -17.841 1.00 0.75 O ATOM 981 CB LYS A 62 12.131 21.897 -16.385 1.00 0.41 C ATOM 982 CG LYS A 62 11.421 21.795 -17.726 1.00 0.43 C ATOM 983 CD LYS A 62 12.363 22.106 -18.953 1.00 0.93 C ATOM 984 CE LYS A 62 13.353 23.298 -18.722 1.00 2.18 C ATOM 985 NZ LYS A 62 14.581 22.843 -17.966 1.00 3.40 N ATOM 0 H LYS A 62 13.253 21.401 -14.180 1.00 0.38 H new ATOM 0 HA LYS A 62 11.722 19.955 -15.828 1.00 0.40 H new ATOM 0 HB2 LYS A 62 11.449 22.273 -15.622 1.00 0.41 H new ATOM 0 HB3 LYS A 62 12.960 22.602 -16.447 1.00 0.41 H new ATOM 0 HG2 LYS A 62 11.010 20.792 -17.837 1.00 0.43 H new ATOM 0 HG3 LYS A 62 10.579 22.487 -17.738 1.00 0.43 H new ATOM 0 HD2 LYS A 62 12.939 21.211 -19.189 1.00 0.93 H new ATOM 0 HD3 LYS A 62 11.745 22.326 -19.823 1.00 0.93 H new ATOM 0 HE2 LYS A 62 13.649 23.721 -19.682 1.00 2.18 H new ATOM 0 HE3 LYS A 62 12.851 24.090 -18.165 1.00 2.18 H new ATOM 0 HZ1 LYS A 62 14.675 23.396 -17.090 1.00 3.40 H new ATOM 0 HZ2 LYS A 62 14.489 21.834 -17.730 1.00 3.40 H new ATOM 0 HZ3 LYS A 62 15.425 22.985 -18.557 1.00 3.40 H new ATOM 999 N GLY A 63 13.030 18.435 -16.965 1.00 0.42 N ATOM 1000 CA GLY A 63 13.571 17.324 -17.806 1.00 0.57 C ATOM 1001 C GLY A 63 14.036 16.190 -16.851 1.00 0.32 C ATOM 1002 O GLY A 63 14.196 15.071 -17.298 1.00 0.48 O ATOM 0 H GLY A 63 12.340 18.114 -16.285 1.00 0.42 H new ATOM 0 HA2 GLY A 63 12.807 16.957 -18.492 1.00 0.57 H new ATOM 0 HA3 GLY A 63 14.404 17.676 -18.415 1.00 0.57 H new ATOM 1006 N THR A 64 14.259 16.466 -15.576 1.00 0.31 N ATOM 1007 CA THR A 64 14.699 15.379 -14.632 1.00 0.22 C ATOM 1008 C THR A 64 13.683 14.240 -14.653 1.00 0.22 C ATOM 1009 O THR A 64 12.523 14.484 -14.931 1.00 0.32 O ATOM 1010 CB THR A 64 14.731 16.009 -13.209 1.00 0.26 C ATOM 1011 OG1 THR A 64 16.019 15.786 -12.678 1.00 0.75 O ATOM 1012 CG2 THR A 64 13.793 15.419 -12.185 1.00 0.82 C ATOM 0 H THR A 64 14.156 17.389 -15.155 1.00 0.31 H new ATOM 0 HA THR A 64 15.674 14.983 -14.916 1.00 0.22 H new ATOM 0 HB THR A 64 14.436 17.047 -13.362 1.00 0.26 H new ATOM 0 HG1 THR A 64 16.074 16.173 -11.779 1.00 0.75 H new ATOM 0 HG21 THR A 64 13.912 15.944 -11.237 1.00 0.82 H new ATOM 0 HG22 THR A 64 12.765 15.523 -12.531 1.00 0.82 H new ATOM 0 HG23 THR A 64 14.024 14.363 -12.046 1.00 0.82 H new ATOM 1020 N SER A 65 14.058 13.027 -14.348 1.00 0.53 N ATOM 1021 CA SER A 65 12.986 11.978 -14.397 1.00 0.75 C ATOM 1022 C SER A 65 12.230 12.026 -13.092 1.00 0.65 C ATOM 1023 O SER A 65 12.711 12.483 -12.068 1.00 0.80 O ATOM 1024 CB SER A 65 13.555 10.538 -14.487 1.00 1.08 C ATOM 1025 OG SER A 65 12.387 9.719 -14.388 1.00 2.22 O ATOM 0 H SER A 65 14.995 12.723 -14.083 1.00 0.53 H new ATOM 0 HA SER A 65 12.378 12.185 -15.277 1.00 0.75 H new ATOM 0 HB2 SER A 65 14.085 10.372 -15.425 1.00 1.08 H new ATOM 0 HB3 SER A 65 14.260 10.333 -13.682 1.00 1.08 H new ATOM 0 HG SER A 65 12.644 8.775 -14.437 1.00 2.22 H new ATOM 1031 N LYS A 66 11.025 11.530 -13.185 1.00 0.75 N ATOM 1032 CA LYS A 66 10.156 11.493 -11.983 1.00 0.75 C ATOM 1033 C LYS A 66 10.992 10.863 -10.863 1.00 0.45 C ATOM 1034 O LYS A 66 10.918 11.204 -9.707 1.00 0.58 O ATOM 1035 CB LYS A 66 8.994 10.505 -12.244 1.00 1.14 C ATOM 1036 CG LYS A 66 8.135 10.440 -10.943 1.00 2.66 C ATOM 1037 CD LYS A 66 7.107 9.281 -10.895 1.00 3.28 C ATOM 1038 CE LYS A 66 6.164 9.308 -12.090 1.00 2.83 C ATOM 1039 NZ LYS A 66 6.796 8.513 -13.194 1.00 3.55 N ATOM 0 H LYS A 66 10.611 11.152 -14.037 1.00 0.75 H new ATOM 0 HA LYS A 66 9.786 12.490 -11.742 1.00 0.75 H new ATOM 0 HB2 LYS A 66 8.389 10.838 -13.087 1.00 1.14 H new ATOM 0 HB3 LYS A 66 9.380 9.518 -12.499 1.00 1.14 H new ATOM 0 HG2 LYS A 66 8.804 10.348 -10.088 1.00 2.66 H new ATOM 0 HG3 LYS A 66 7.602 11.384 -10.830 1.00 2.66 H new ATOM 0 HD2 LYS A 66 7.635 8.328 -10.871 1.00 3.28 H new ATOM 0 HD3 LYS A 66 6.528 9.347 -9.974 1.00 3.28 H new ATOM 0 HE2 LYS A 66 5.196 8.885 -11.822 1.00 2.83 H new ATOM 0 HE3 LYS A 66 5.986 10.334 -12.412 1.00 2.83 H new ATOM 0 HZ1 LYS A 66 6.893 9.110 -14.040 1.00 3.55 H new ATOM 0 HZ2 LYS A 66 7.736 8.186 -12.892 1.00 3.55 H new ATOM 0 HZ3 LYS A 66 6.198 7.692 -13.416 1.00 3.55 H new ATOM 1053 N GLU A 67 11.804 9.957 -11.315 1.00 0.26 N ATOM 1054 CA GLU A 67 12.691 9.193 -10.448 1.00 0.60 C ATOM 1055 C GLU A 67 13.741 10.072 -9.854 1.00 0.57 C ATOM 1056 O GLU A 67 13.914 9.967 -8.658 1.00 0.68 O ATOM 1057 CB GLU A 67 13.199 8.050 -11.341 1.00 0.78 C ATOM 1058 CG GLU A 67 12.129 6.903 -11.311 1.00 0.76 C ATOM 1059 CD GLU A 67 12.578 5.868 -10.306 1.00 1.68 C ATOM 1060 OE1 GLU A 67 12.335 6.106 -9.136 1.00 1.91 O ATOM 1061 OE2 GLU A 67 13.181 4.892 -10.721 1.00 2.83 O ATOM 0 H GLU A 67 11.881 9.714 -12.303 1.00 0.26 H new ATOM 0 HA GLU A 67 12.209 8.774 -9.565 1.00 0.60 H new ATOM 0 HB2 GLU A 67 13.352 8.402 -12.361 1.00 0.78 H new ATOM 0 HB3 GLU A 67 14.161 7.684 -10.982 1.00 0.78 H new ATOM 0 HG2 GLU A 67 11.152 7.301 -11.037 1.00 0.76 H new ATOM 0 HG3 GLU A 67 12.024 6.454 -12.299 1.00 0.76 H new ATOM 1068 N ASP A 68 14.407 10.904 -10.608 1.00 0.62 N ATOM 1069 CA ASP A 68 15.411 11.726 -9.936 1.00 0.71 C ATOM 1070 C ASP A 68 14.700 12.640 -8.953 1.00 0.61 C ATOM 1071 O ASP A 68 15.042 12.753 -7.795 1.00 0.65 O ATOM 1072 CB ASP A 68 16.093 12.538 -10.988 1.00 0.99 C ATOM 1073 CG ASP A 68 16.689 11.634 -12.018 1.00 1.27 C ATOM 1074 OD1 ASP A 68 17.804 11.186 -11.822 1.00 1.47 O ATOM 1075 OD2 ASP A 68 15.930 11.465 -12.950 1.00 2.03 O ATOM 0 H ASP A 68 14.298 11.037 -11.613 1.00 0.62 H new ATOM 0 HA ASP A 68 16.139 11.119 -9.397 1.00 0.71 H new ATOM 0 HB2 ASP A 68 15.380 13.217 -11.456 1.00 0.99 H new ATOM 0 HB3 ASP A 68 16.871 13.154 -10.537 1.00 0.99 H new ATOM 1080 N ALA A 69 13.707 13.266 -9.506 1.00 0.54 N ATOM 1081 CA ALA A 69 12.843 14.221 -8.771 1.00 0.59 C ATOM 1082 C ALA A 69 12.431 13.605 -7.411 1.00 0.51 C ATOM 1083 O ALA A 69 12.621 14.199 -6.374 1.00 0.66 O ATOM 1084 CB ALA A 69 11.665 14.460 -9.695 1.00 0.59 C ATOM 0 H ALA A 69 13.448 13.148 -10.485 1.00 0.54 H new ATOM 0 HA ALA A 69 13.334 15.164 -8.529 1.00 0.59 H new ATOM 0 HB1 ALA A 69 10.972 15.159 -9.227 1.00 0.59 H new ATOM 0 HB2 ALA A 69 12.020 14.877 -10.637 1.00 0.59 H new ATOM 0 HB3 ALA A 69 11.155 13.516 -9.886 1.00 0.59 H new ATOM 1090 N MET A 70 11.885 12.412 -7.443 1.00 0.30 N ATOM 1091 CA MET A 70 11.447 11.690 -6.245 1.00 0.26 C ATOM 1092 C MET A 70 12.575 11.086 -5.415 1.00 0.32 C ATOM 1093 O MET A 70 12.718 11.414 -4.252 1.00 0.31 O ATOM 1094 CB MET A 70 10.588 10.527 -6.777 1.00 0.33 C ATOM 1095 CG MET A 70 9.244 11.057 -7.274 1.00 0.28 C ATOM 1096 SD MET A 70 7.955 9.851 -7.667 1.00 0.41 S ATOM 1097 CE MET A 70 6.540 10.979 -7.582 1.00 0.61 C ATOM 0 H MET A 70 11.725 11.898 -8.309 1.00 0.30 H new ATOM 0 HA MET A 70 10.935 12.391 -5.586 1.00 0.26 H new ATOM 0 HB2 MET A 70 11.110 10.019 -7.588 1.00 0.33 H new ATOM 0 HB3 MET A 70 10.429 9.791 -5.989 1.00 0.33 H new ATOM 0 HG2 MET A 70 8.850 11.733 -6.516 1.00 0.28 H new ATOM 0 HG3 MET A 70 9.429 11.653 -8.168 1.00 0.28 H new ATOM 0 HE1 MET A 70 5.696 10.470 -7.116 1.00 0.61 H new ATOM 0 HE2 MET A 70 6.808 11.855 -6.991 1.00 0.61 H new ATOM 0 HE3 MET A 70 6.263 11.292 -8.589 1.00 0.61 H new ATOM 1107 N LYS A 71 13.337 10.212 -6.017 1.00 0.37 N ATOM 1108 CA LYS A 71 14.464 9.573 -5.273 1.00 0.36 C ATOM 1109 C LYS A 71 15.194 10.626 -4.454 1.00 0.30 C ATOM 1110 O LYS A 71 15.211 10.580 -3.239 1.00 0.36 O ATOM 1111 CB LYS A 71 15.457 8.938 -6.241 1.00 0.27 C ATOM 1112 CG LYS A 71 14.967 7.581 -6.756 1.00 0.60 C ATOM 1113 CD LYS A 71 16.182 6.985 -7.535 1.00 0.73 C ATOM 1114 CE LYS A 71 15.951 5.555 -7.980 1.00 1.74 C ATOM 1115 NZ LYS A 71 14.715 5.575 -8.794 1.00 2.61 N ATOM 0 H LYS A 71 13.230 9.913 -6.986 1.00 0.37 H new ATOM 0 HA LYS A 71 14.051 8.802 -4.622 1.00 0.36 H new ATOM 0 HB2 LYS A 71 15.621 9.609 -7.085 1.00 0.27 H new ATOM 0 HB3 LYS A 71 16.418 8.811 -5.743 1.00 0.27 H new ATOM 0 HG2 LYS A 71 14.667 6.931 -5.934 1.00 0.60 H new ATOM 0 HG3 LYS A 71 14.099 7.695 -7.405 1.00 0.60 H new ATOM 0 HD2 LYS A 71 16.386 7.604 -8.409 1.00 0.73 H new ATOM 0 HD3 LYS A 71 17.068 7.025 -6.902 1.00 0.73 H new ATOM 0 HE2 LYS A 71 16.796 5.186 -8.562 1.00 1.74 H new ATOM 0 HE3 LYS A 71 15.842 4.892 -7.122 1.00 1.74 H new ATOM 0 HZ1 LYS A 71 14.551 4.631 -9.199 1.00 2.61 H new ATOM 0 HZ2 LYS A 71 13.908 5.839 -8.193 1.00 2.61 H new ATOM 0 HZ3 LYS A 71 14.816 6.269 -9.562 1.00 2.61 H new ATOM 1129 N ALA A 72 15.752 11.558 -5.196 1.00 0.21 N ATOM 1130 CA ALA A 72 16.522 12.686 -4.615 1.00 0.18 C ATOM 1131 C ALA A 72 15.673 13.296 -3.476 1.00 0.21 C ATOM 1132 O ALA A 72 16.108 13.364 -2.347 1.00 0.23 O ATOM 1133 CB ALA A 72 16.811 13.636 -5.794 1.00 0.12 C ATOM 0 H ALA A 72 15.697 11.574 -6.214 1.00 0.21 H new ATOM 0 HA ALA A 72 17.475 12.414 -4.161 1.00 0.18 H new ATOM 0 HB1 ALA A 72 17.379 14.495 -5.438 1.00 0.12 H new ATOM 0 HB2 ALA A 72 17.389 13.109 -6.553 1.00 0.12 H new ATOM 0 HB3 ALA A 72 15.870 13.977 -6.226 1.00 0.12 H new ATOM 1139 N TYR A 73 14.484 13.729 -3.815 1.00 0.20 N ATOM 1140 CA TYR A 73 13.546 14.332 -2.818 1.00 0.23 C ATOM 1141 C TYR A 73 13.732 13.775 -1.394 1.00 0.13 C ATOM 1142 O TYR A 73 14.095 14.470 -0.467 1.00 0.21 O ATOM 1143 CB TYR A 73 12.139 13.932 -3.280 1.00 0.37 C ATOM 1144 CG TYR A 73 11.053 14.810 -2.715 1.00 0.34 C ATOM 1145 CD1 TYR A 73 10.927 16.083 -3.179 1.00 0.65 C ATOM 1146 CD2 TYR A 73 10.189 14.355 -1.751 1.00 1.07 C ATOM 1147 CE1 TYR A 73 9.953 16.890 -2.678 1.00 0.72 C ATOM 1148 CE2 TYR A 73 9.209 15.188 -1.266 1.00 1.00 C ATOM 1149 CZ TYR A 73 9.093 16.462 -1.732 1.00 0.33 C ATOM 1150 OH TYR A 73 8.127 17.343 -1.304 1.00 0.37 O ATOM 0 H TYR A 73 14.116 13.688 -4.765 1.00 0.20 H new ATOM 0 HA TYR A 73 13.723 15.406 -2.773 1.00 0.23 H new ATOM 0 HB2 TYR A 73 12.097 13.970 -4.369 1.00 0.37 H new ATOM 0 HB3 TYR A 73 11.949 12.899 -2.989 1.00 0.37 H new ATOM 0 HD1 TYR A 73 11.597 16.451 -3.942 1.00 0.65 H new ATOM 0 HD2 TYR A 73 10.279 13.347 -1.375 1.00 1.07 H new ATOM 0 HE1 TYR A 73 9.866 17.901 -3.048 1.00 0.72 H new ATOM 0 HE2 TYR A 73 8.526 14.829 -0.510 1.00 1.00 H new ATOM 0 HH TYR A 73 7.544 17.580 -2.055 1.00 0.37 H new ATOM 1160 N ILE A 74 13.497 12.498 -1.284 1.00 0.12 N ATOM 1161 CA ILE A 74 13.620 11.834 0.050 1.00 0.12 C ATOM 1162 C ILE A 74 15.093 11.864 0.446 1.00 0.18 C ATOM 1163 O ILE A 74 15.471 12.400 1.474 1.00 0.26 O ATOM 1164 CB ILE A 74 13.341 10.295 0.038 1.00 0.11 C ATOM 1165 CG1 ILE A 74 12.384 9.797 -1.066 1.00 0.14 C ATOM 1166 CG2 ILE A 74 12.831 9.986 1.442 1.00 0.07 C ATOM 1167 CD1 ILE A 74 13.047 8.537 -1.656 1.00 0.66 C ATOM 0 H ILE A 74 13.226 11.885 -2.053 1.00 0.12 H new ATOM 0 HA ILE A 74 12.912 12.357 0.693 1.00 0.12 H new ATOM 0 HB ILE A 74 14.254 9.755 -0.213 1.00 0.11 H new ATOM 0 HG12 ILE A 74 11.400 9.567 -0.657 1.00 0.14 H new ATOM 0 HG13 ILE A 74 12.240 10.559 -1.832 1.00 0.14 H new ATOM 0 HG21 ILE A 74 12.609 8.922 1.523 1.00 0.07 H new ATOM 0 HG22 ILE A 74 13.593 10.254 2.173 1.00 0.07 H new ATOM 0 HG23 ILE A 74 11.925 10.561 1.635 1.00 0.07 H new ATOM 0 HD11 ILE A 74 12.417 8.132 -2.448 1.00 0.66 H new ATOM 0 HD12 ILE A 74 14.023 8.797 -2.066 1.00 0.66 H new ATOM 0 HD13 ILE A 74 13.170 7.790 -0.872 1.00 0.66 H new ATOM 1179 N ASP A 75 15.857 11.273 -0.442 1.00 0.21 N ATOM 1180 CA ASP A 75 17.330 11.159 -0.275 1.00 0.30 C ATOM 1181 C ASP A 75 17.999 12.415 0.272 1.00 0.32 C ATOM 1182 O ASP A 75 19.034 12.371 0.910 1.00 0.47 O ATOM 1183 CB ASP A 75 17.918 10.689 -1.622 1.00 0.33 C ATOM 1184 CG ASP A 75 18.152 9.178 -1.673 1.00 0.79 C ATOM 1185 OD1 ASP A 75 18.631 8.678 -0.673 1.00 1.72 O ATOM 1186 OD2 ASP A 75 17.840 8.628 -2.714 1.00 1.11 O ATOM 0 H ASP A 75 15.502 10.853 -1.301 1.00 0.21 H new ATOM 0 HA ASP A 75 17.541 10.422 0.500 1.00 0.30 H new ATOM 0 HB2 ASP A 75 17.242 10.974 -2.428 1.00 0.33 H new ATOM 0 HB3 ASP A 75 18.862 11.204 -1.801 1.00 0.33 H new ATOM 1191 N LYS A 76 17.366 13.513 -0.021 1.00 0.19 N ATOM 1192 CA LYS A 76 17.852 14.843 0.416 1.00 0.19 C ATOM 1193 C LYS A 76 17.065 15.337 1.644 1.00 0.18 C ATOM 1194 O LYS A 76 17.660 15.844 2.570 1.00 0.26 O ATOM 1195 CB LYS A 76 17.709 15.762 -0.801 1.00 0.18 C ATOM 1196 CG LYS A 76 19.063 16.492 -1.154 1.00 0.36 C ATOM 1197 CD LYS A 76 20.176 15.493 -1.649 1.00 1.60 C ATOM 1198 CE LYS A 76 21.522 16.240 -1.955 1.00 1.88 C ATOM 1199 NZ LYS A 76 22.223 16.603 -0.681 1.00 1.58 N ATOM 0 H LYS A 76 16.503 13.541 -0.564 1.00 0.19 H new ATOM 0 HA LYS A 76 18.892 14.817 0.742 1.00 0.19 H new ATOM 0 HB2 LYS A 76 17.378 15.178 -1.659 1.00 0.18 H new ATOM 0 HB3 LYS A 76 16.937 16.506 -0.605 1.00 0.18 H new ATOM 0 HG2 LYS A 76 18.879 17.238 -1.927 1.00 0.36 H new ATOM 0 HG3 LYS A 76 19.424 17.026 -0.275 1.00 0.36 H new ATOM 0 HD2 LYS A 76 20.346 14.730 -0.889 1.00 1.60 H new ATOM 0 HD3 LYS A 76 19.832 14.978 -2.546 1.00 1.60 H new ATOM 0 HE2 LYS A 76 22.167 15.606 -2.563 1.00 1.88 H new ATOM 0 HE3 LYS A 76 21.321 17.140 -2.536 1.00 1.88 H new ATOM 0 HZ1 LYS A 76 22.964 17.305 -0.880 1.00 1.58 H new ATOM 0 HZ2 LYS A 76 21.538 17.005 -0.010 1.00 1.58 H new ATOM 0 HZ3 LYS A 76 22.654 15.752 -0.267 1.00 1.58 H new ATOM 1213 N VAL A 77 15.754 15.191 1.652 1.00 0.17 N ATOM 1214 CA VAL A 77 14.863 15.627 2.772 1.00 0.14 C ATOM 1215 C VAL A 77 15.536 15.470 4.117 1.00 0.28 C ATOM 1216 O VAL A 77 15.435 16.331 4.960 1.00 0.34 O ATOM 1217 CB VAL A 77 13.561 14.839 2.637 1.00 0.16 C ATOM 1218 CG1 VAL A 77 13.171 14.133 3.895 1.00 0.43 C ATOM 1219 CG2 VAL A 77 12.444 15.776 2.130 1.00 0.20 C ATOM 0 H VAL A 77 15.245 14.762 0.879 1.00 0.17 H new ATOM 0 HA VAL A 77 14.643 16.693 2.711 1.00 0.14 H new ATOM 0 HB VAL A 77 13.722 14.048 1.905 1.00 0.16 H new ATOM 0 HG11 VAL A 77 12.239 13.592 3.734 1.00 0.43 H new ATOM 0 HG12 VAL A 77 13.955 13.430 4.176 1.00 0.43 H new ATOM 0 HG13 VAL A 77 13.035 14.862 4.694 1.00 0.43 H new ATOM 0 HG21 VAL A 77 11.514 15.215 2.033 1.00 0.20 H new ATOM 0 HG22 VAL A 77 12.303 16.592 2.839 1.00 0.20 H new ATOM 0 HG23 VAL A 77 12.724 16.184 1.159 1.00 0.20 H new ATOM 1229 N GLU A 78 16.169 14.342 4.274 1.00 0.38 N ATOM 1230 CA GLU A 78 16.920 14.029 5.552 1.00 0.54 C ATOM 1231 C GLU A 78 17.560 15.340 6.120 1.00 0.60 C ATOM 1232 O GLU A 78 17.376 15.747 7.256 1.00 0.81 O ATOM 1233 CB GLU A 78 17.996 13.000 5.158 1.00 0.87 C ATOM 1234 CG GLU A 78 19.036 12.799 6.296 1.00 1.88 C ATOM 1235 CD GLU A 78 18.492 12.190 7.595 1.00 1.52 C ATOM 1236 OE1 GLU A 78 17.425 12.556 8.069 1.00 1.15 O ATOM 1237 OE2 GLU A 78 19.203 11.354 8.120 1.00 2.27 O ATOM 0 H GLU A 78 16.206 13.605 3.570 1.00 0.38 H new ATOM 0 HA GLU A 78 16.272 13.631 6.333 1.00 0.54 H new ATOM 0 HB2 GLU A 78 17.521 12.047 4.925 1.00 0.87 H new ATOM 0 HB3 GLU A 78 18.505 13.332 4.253 1.00 0.87 H new ATOM 0 HG2 GLU A 78 19.836 12.159 5.923 1.00 1.88 H new ATOM 0 HG3 GLU A 78 19.484 13.765 6.529 1.00 1.88 H new ATOM 1244 N GLU A 79 18.299 15.956 5.225 1.00 0.52 N ATOM 1245 CA GLU A 79 19.020 17.240 5.499 1.00 0.66 C ATOM 1246 C GLU A 79 18.047 18.111 6.317 1.00 0.56 C ATOM 1247 O GLU A 79 18.392 18.653 7.340 1.00 0.75 O ATOM 1248 CB GLU A 79 19.504 17.882 4.132 1.00 0.68 C ATOM 1249 CG GLU A 79 20.700 17.013 3.535 1.00 0.68 C ATOM 1250 CD GLU A 79 21.575 17.767 2.512 1.00 1.11 C ATOM 1251 OE1 GLU A 79 22.516 18.399 2.957 1.00 1.44 O ATOM 1252 OE2 GLU A 79 21.269 17.678 1.330 1.00 1.79 O ATOM 0 H GLU A 79 18.436 15.604 4.277 1.00 0.52 H new ATOM 0 HA GLU A 79 19.933 17.112 6.080 1.00 0.66 H new ATOM 0 HB2 GLU A 79 18.678 17.920 3.422 1.00 0.68 H new ATOM 0 HB3 GLU A 79 19.832 18.909 4.295 1.00 0.68 H new ATOM 0 HG2 GLU A 79 21.331 16.671 4.355 1.00 0.68 H new ATOM 0 HG3 GLU A 79 20.287 16.124 3.059 1.00 0.68 H new ATOM 1259 N LEU A 80 16.833 18.233 5.846 1.00 0.29 N ATOM 1260 CA LEU A 80 15.769 19.026 6.525 1.00 0.19 C ATOM 1261 C LEU A 80 15.323 18.362 7.792 1.00 0.12 C ATOM 1262 O LEU A 80 15.224 18.986 8.824 1.00 0.15 O ATOM 1263 CB LEU A 80 14.661 19.087 5.563 1.00 0.21 C ATOM 1264 CG LEU A 80 15.243 19.668 4.266 1.00 0.38 C ATOM 1265 CD1 LEU A 80 14.083 20.043 3.537 1.00 0.47 C ATOM 1266 CD2 LEU A 80 16.073 20.906 4.531 1.00 0.60 C ATOM 0 H LEU A 80 16.525 17.794 4.978 1.00 0.29 H new ATOM 0 HA LEU A 80 16.128 20.016 6.806 1.00 0.19 H new ATOM 0 HB2 LEU A 80 14.242 18.096 5.390 1.00 0.21 H new ATOM 0 HB3 LEU A 80 13.853 19.714 5.941 1.00 0.21 H new ATOM 0 HG LEU A 80 15.895 18.959 3.756 1.00 0.38 H new ATOM 0 HD11 LEU A 80 14.378 20.476 2.581 1.00 0.47 H new ATOM 0 HD12 LEU A 80 13.463 19.164 3.362 1.00 0.47 H new ATOM 0 HD13 LEU A 80 13.516 20.778 4.108 1.00 0.47 H new ATOM 0 HD21 LEU A 80 16.468 21.288 3.589 1.00 0.60 H new ATOM 0 HD22 LEU A 80 15.450 21.668 4.999 1.00 0.60 H new ATOM 0 HD23 LEU A 80 16.900 20.654 5.195 1.00 0.60 H new ATOM 1278 N LYS A 81 15.064 17.105 7.663 1.00 0.14 N ATOM 1279 CA LYS A 81 14.613 16.279 8.828 1.00 0.24 C ATOM 1280 C LYS A 81 15.588 16.510 10.022 1.00 0.30 C ATOM 1281 O LYS A 81 15.269 16.318 11.180 1.00 0.38 O ATOM 1282 CB LYS A 81 14.647 14.884 8.283 1.00 0.35 C ATOM 1283 CG LYS A 81 13.851 13.895 9.157 1.00 0.28 C ATOM 1284 CD LYS A 81 13.534 12.641 8.300 1.00 0.41 C ATOM 1285 CE LYS A 81 12.503 13.005 7.219 1.00 1.78 C ATOM 1286 NZ LYS A 81 12.219 11.783 6.404 1.00 2.06 N ATOM 0 H LYS A 81 15.144 16.592 6.785 1.00 0.14 H new ATOM 0 HA LYS A 81 13.625 16.520 9.219 1.00 0.24 H new ATOM 0 HB2 LYS A 81 14.240 14.881 7.272 1.00 0.35 H new ATOM 0 HB3 LYS A 81 15.682 14.550 8.210 1.00 0.35 H new ATOM 0 HG2 LYS A 81 14.428 13.617 10.039 1.00 0.28 H new ATOM 0 HG3 LYS A 81 12.929 14.357 9.511 1.00 0.28 H new ATOM 0 HD2 LYS A 81 14.446 12.265 7.836 1.00 0.41 H new ATOM 0 HD3 LYS A 81 13.146 11.843 8.933 1.00 0.41 H new ATOM 0 HE2 LYS A 81 11.587 13.375 7.679 1.00 1.78 H new ATOM 0 HE3 LYS A 81 12.886 13.804 6.584 1.00 1.78 H new ATOM 0 HZ1 LYS A 81 11.406 11.962 5.781 1.00 2.06 H new ATOM 0 HZ2 LYS A 81 13.052 11.549 5.827 1.00 2.06 H new ATOM 0 HZ3 LYS A 81 12.002 10.987 7.037 1.00 2.06 H new ATOM 1300 N LYS A 82 16.769 16.919 9.650 1.00 0.35 N ATOM 1301 CA LYS A 82 17.852 17.207 10.634 1.00 0.52 C ATOM 1302 C LYS A 82 17.945 18.731 10.906 1.00 0.54 C ATOM 1303 O LYS A 82 17.821 19.172 12.026 1.00 0.60 O ATOM 1304 CB LYS A 82 19.176 16.612 10.055 1.00 0.59 C ATOM 1305 CG LYS A 82 19.115 15.047 9.972 1.00 0.25 C ATOM 1306 CD LYS A 82 18.856 14.465 11.399 1.00 1.63 C ATOM 1307 CE LYS A 82 19.086 12.948 11.491 1.00 2.21 C ATOM 1308 NZ LYS A 82 18.237 12.234 10.493 1.00 2.46 N ATOM 0 H LYS A 82 17.036 17.070 8.677 1.00 0.35 H new ATOM 0 HA LYS A 82 17.648 16.745 11.600 1.00 0.52 H new ATOM 0 HB2 LYS A 82 19.357 17.023 9.062 1.00 0.59 H new ATOM 0 HB3 LYS A 82 20.016 16.912 10.682 1.00 0.59 H new ATOM 0 HG2 LYS A 82 18.322 14.738 9.291 1.00 0.25 H new ATOM 0 HG3 LYS A 82 20.050 14.656 9.571 1.00 0.25 H new ATOM 0 HD2 LYS A 82 19.509 14.968 12.112 1.00 1.63 H new ATOM 0 HD3 LYS A 82 17.831 14.688 11.694 1.00 1.63 H new ATOM 0 HE2 LYS A 82 20.137 12.721 11.313 1.00 2.21 H new ATOM 0 HE3 LYS A 82 18.850 12.598 12.496 1.00 2.21 H new ATOM 0 HZ1 LYS A 82 17.529 11.656 10.990 1.00 2.46 H new ATOM 0 HZ2 LYS A 82 17.754 12.928 9.888 1.00 2.46 H new ATOM 0 HZ3 LYS A 82 18.835 11.619 9.905 1.00 2.46 H new ATOM 1322 N LYS A 83 18.170 19.488 9.873 1.00 0.54 N ATOM 1323 CA LYS A 83 18.291 20.979 9.946 1.00 0.57 C ATOM 1324 C LYS A 83 17.131 21.559 10.774 1.00 0.34 C ATOM 1325 O LYS A 83 17.275 22.360 11.678 1.00 0.31 O ATOM 1326 CB LYS A 83 18.338 21.513 8.498 1.00 0.64 C ATOM 1327 CG LYS A 83 18.997 22.902 8.538 1.00 0.61 C ATOM 1328 CD LYS A 83 19.172 23.525 7.144 1.00 1.60 C ATOM 1329 CE LYS A 83 20.141 22.777 6.213 1.00 1.81 C ATOM 1330 NZ LYS A 83 20.501 23.725 5.096 1.00 2.11 N ATOM 0 H LYS A 83 18.281 19.118 8.929 1.00 0.54 H new ATOM 0 HA LYS A 83 19.204 21.289 10.455 1.00 0.57 H new ATOM 0 HB2 LYS A 83 18.906 20.837 7.859 1.00 0.64 H new ATOM 0 HB3 LYS A 83 17.333 21.577 8.080 1.00 0.64 H new ATOM 0 HG2 LYS A 83 18.392 23.567 9.154 1.00 0.61 H new ATOM 0 HG3 LYS A 83 19.972 22.822 9.019 1.00 0.61 H new ATOM 0 HD2 LYS A 83 18.196 23.577 6.661 1.00 1.60 H new ATOM 0 HD3 LYS A 83 19.524 24.550 7.262 1.00 1.60 H new ATOM 0 HE2 LYS A 83 21.033 22.464 6.756 1.00 1.81 H new ATOM 0 HE3 LYS A 83 19.676 21.874 5.817 1.00 1.81 H new ATOM 0 HZ1 LYS A 83 20.053 23.407 4.213 1.00 2.11 H new ATOM 0 HZ2 LYS A 83 20.165 24.681 5.330 1.00 2.11 H new ATOM 0 HZ3 LYS A 83 21.534 23.741 4.974 1.00 2.11 H new ATOM 1344 N TYR A 84 15.997 21.083 10.380 1.00 0.19 N ATOM 1345 CA TYR A 84 14.712 21.458 11.008 1.00 0.24 C ATOM 1346 C TYR A 84 14.139 20.323 11.867 1.00 0.39 C ATOM 1347 O TYR A 84 13.867 20.514 13.038 1.00 0.70 O ATOM 1348 CB TYR A 84 13.754 21.733 9.862 1.00 0.47 C ATOM 1349 CG TYR A 84 14.363 22.769 8.933 1.00 0.58 C ATOM 1350 CD1 TYR A 84 14.884 23.930 9.479 1.00 1.36 C ATOM 1351 CD2 TYR A 84 14.398 22.594 7.556 1.00 1.35 C ATOM 1352 CE1 TYR A 84 15.421 24.896 8.683 1.00 1.39 C ATOM 1353 CE2 TYR A 84 14.943 23.584 6.787 1.00 1.63 C ATOM 1354 CZ TYR A 84 15.452 24.735 7.338 1.00 1.16 C ATOM 1355 OH TYR A 84 15.967 25.740 6.560 1.00 1.53 O ATOM 0 H TYR A 84 15.903 20.418 9.612 1.00 0.19 H new ATOM 0 HA TYR A 84 14.855 22.317 11.663 1.00 0.24 H new ATOM 0 HB2 TYR A 84 13.551 20.813 9.315 1.00 0.47 H new ATOM 0 HB3 TYR A 84 12.800 22.091 10.249 1.00 0.47 H new ATOM 0 HD1 TYR A 84 14.864 24.071 10.550 1.00 1.36 H new ATOM 0 HD2 TYR A 84 14.004 21.696 7.103 1.00 1.35 H new ATOM 0 HE1 TYR A 84 15.824 25.795 9.126 1.00 1.39 H new ATOM 0 HE2 TYR A 84 14.974 23.458 5.715 1.00 1.63 H new ATOM 0 HH TYR A 84 16.883 25.512 6.296 1.00 1.53 H new ATOM 1365 N GLY A 85 13.977 19.163 11.282 1.00 0.30 N ATOM 1366 CA GLY A 85 13.410 17.998 12.054 1.00 0.54 C ATOM 1367 C GLY A 85 12.104 18.418 12.687 1.00 0.60 C ATOM 1368 O GLY A 85 11.394 19.205 12.106 1.00 0.48 O ATOM 0 H GLY A 85 14.209 18.966 10.309 1.00 0.30 H new ATOM 0 HA2 GLY A 85 13.251 17.148 11.390 1.00 0.54 H new ATOM 0 HA3 GLY A 85 14.114 17.676 12.821 1.00 0.54 H new ATOM 1372 N ILE A 86 11.788 17.911 13.832 1.00 1.19 N ATOM 1373 CA ILE A 86 10.554 18.262 14.513 1.00 1.56 C ATOM 1374 C ILE A 86 11.086 18.976 15.777 1.00 1.96 C ATOM 1375 O ILE A 86 10.665 20.091 16.013 1.00 2.33 O ATOM 1376 CB ILE A 86 9.791 16.951 14.658 1.00 1.73 C ATOM 1377 CG1 ILE A 86 9.064 17.059 15.934 1.00 3.20 C ATOM 1378 CG2 ILE A 86 10.688 15.668 14.652 1.00 1.27 C ATOM 1379 CD1 ILE A 86 7.697 16.403 15.745 1.00 2.89 C ATOM 1380 OXT ILE A 86 11.915 18.395 16.455 1.00 2.20 O ATOM 0 H ILE A 86 12.368 17.240 14.335 1.00 1.19 H new ATOM 0 HA ILE A 86 9.830 18.931 14.049 1.00 1.56 H new ATOM 0 HB ILE A 86 9.138 16.823 13.794 1.00 1.73 H new ATOM 0 HG12 ILE A 86 9.618 16.566 16.733 1.00 3.20 H new ATOM 0 HG13 ILE A 86 8.950 18.104 16.223 1.00 3.20 H new ATOM 0 HG21 ILE A 86 10.059 14.784 14.760 1.00 1.27 H new ATOM 0 HG22 ILE A 86 11.235 15.611 13.711 1.00 1.27 H new ATOM 0 HG23 ILE A 86 11.395 15.714 15.481 1.00 1.27 H new ATOM 0 HD11 ILE A 86 7.131 16.466 16.675 1.00 2.89 H new ATOM 0 HD12 ILE A 86 7.153 16.918 14.953 1.00 2.89 H new ATOM 0 HD13 ILE A 86 7.830 15.356 15.472 1.00 2.89 H new