USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 735 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 51 THR OG1 : rot -160:sc= 0 USER MOD Set 1.2: A 82 GLN : amide:sc= 0 X(o=0,f=0.35) USER MOD Single : A 4 GLN :FLIP amide:sc= -0.201 F(o=-0.82,f=-0.2) USER MOD Single : A 6 THR OG1 : rot -160:sc= -0.0201 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -4.93! C(o=-4.9!,f=-5.9!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 19 ASN : amide:sc= -1.67! C(o=-1.7!,f=-7.1!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -144:sc= 0.0955 (180deg=-0.0103) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 34 SER OG : rot 180:sc= -0.246! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.632 K(o=0.63,f=-1.9) USER MOD Single : A 45 THR OG1 : rot -96:sc= -0.172 USER MOD Single : A 49 LYS NZ :NH3+ -153:sc= -1.49 (180deg=-2.21) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 1.01 K(o=1,f=-0.79) USER MOD Single : A 66 SER OG : rot -86:sc= -0.72 USER MOD Single : A 67 TYR OH : rot 105:sc= 1.05 USER MOD Single : A 71 SER OG : rot -75:sc= 1.07 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.0708 K(o=-0.071,f=-1.4!) USER MOD Single : A 86 ASN : amide:sc= -0.477 K(o=-0.48,f=-10!) USER MOD Single : A 87 LYS NZ :NH3+ -165:sc= -0.0346 (180deg=-0.287) USER MOD Single : A 88 ASN : amide:sc= -0.0872 K(o=-0.087,f=-1.9!) USER MOD Single : A 89 SER OG : rot -18:sc= 1.12 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N PRO A 3 -11.536 4.687 -9.015 1.00 0.00 N ATOM 36 CA PRO A 3 -11.220 4.007 -7.718 1.00 0.00 C ATOM 37 C PRO A 3 -11.399 4.931 -6.501 1.00 0.00 C ATOM 38 O PRO A 3 -11.209 6.129 -6.579 1.00 0.00 O ATOM 39 CB PRO A 3 -9.753 3.582 -7.889 1.00 0.00 C ATOM 40 CG PRO A 3 -9.180 4.566 -8.857 1.00 0.00 C ATOM 41 CD PRO A 3 -10.320 4.931 -9.812 1.00 0.00 C ATOM 0 HA PRO A 3 -11.893 3.173 -7.519 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.221 3.607 -6.938 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.678 2.563 -8.270 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.806 5.450 -8.340 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.339 4.135 -9.400 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.255 5.970 -10.135 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.301 4.316 -10.712 1.00 0.00 H new ATOM 49 N GLN A 4 -11.765 4.374 -5.377 1.00 0.00 N ATOM 50 CA GLN A 4 -11.964 5.209 -4.157 1.00 0.00 C ATOM 51 C GLN A 4 -10.604 5.521 -3.523 1.00 0.00 C ATOM 52 O GLN A 4 -10.121 4.801 -2.668 1.00 0.00 O ATOM 53 CB GLN A 4 -12.847 4.447 -3.157 1.00 0.00 C ATOM 54 CG GLN A 4 -12.477 2.960 -3.157 1.00 0.00 C ATOM 55 CD GLN A 4 -13.219 2.250 -2.023 1.00 0.00 C ATOM 56 OE1 GLN A 4 -12.885 2.497 -0.786 1.00 0.00 O flip ATOM 57 NE2 GLN A 4 -14.110 1.462 -2.266 1.00 0.00 N flip ATOM 0 H GLN A 4 -11.935 3.376 -5.251 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.454 6.144 -4.428 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -12.719 4.862 -2.157 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -13.898 4.569 -3.421 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -12.738 2.509 -4.115 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -11.401 2.842 -3.032 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -14.371 1.269 -3.233 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -14.598 0.993 -1.503 1.00 0.00 H new ATOM 66 N LEU A 5 -9.988 6.596 -3.938 1.00 0.00 N ATOM 67 CA LEU A 5 -8.659 6.974 -3.375 1.00 0.00 C ATOM 68 C LEU A 5 -8.837 7.548 -1.973 1.00 0.00 C ATOM 69 O LEU A 5 -9.798 8.236 -1.694 1.00 0.00 O ATOM 70 CB LEU A 5 -8.014 8.030 -4.274 1.00 0.00 C ATOM 71 CG LEU A 5 -7.908 7.494 -5.706 1.00 0.00 C ATOM 72 CD1 LEU A 5 -7.294 8.571 -6.605 1.00 0.00 C ATOM 73 CD2 LEU A 5 -7.028 6.231 -5.732 1.00 0.00 C ATOM 0 H LEU A 5 -10.351 7.232 -4.648 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.023 6.090 -3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.607 8.944 -4.261 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.024 8.287 -3.897 1.00 0.00 H new ATOM 0 HG LEU A 5 -8.903 7.238 -6.070 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.217 8.193 -7.625 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.927 9.459 -6.594 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.301 8.829 -6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.958 5.857 -6.753 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.031 6.475 -5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -7.471 5.466 -5.095 1.00 0.00 H new ATOM 85 N THR A 6 -7.913 7.265 -1.086 1.00 0.00 N ATOM 86 CA THR A 6 -8.013 7.787 0.314 1.00 0.00 C ATOM 87 C THR A 6 -6.684 8.420 0.731 1.00 0.00 C ATOM 88 O THR A 6 -5.622 7.887 0.483 1.00 0.00 O ATOM 89 CB THR A 6 -8.350 6.636 1.259 1.00 0.00 C ATOM 90 OG1 THR A 6 -9.604 6.079 0.889 1.00 0.00 O ATOM 91 CG2 THR A 6 -8.424 7.162 2.691 1.00 0.00 C ATOM 0 H THR A 6 -7.090 6.692 -1.273 1.00 0.00 H new ATOM 0 HA THR A 6 -8.797 8.543 0.362 1.00 0.00 H new ATOM 0 HB THR A 6 -7.578 5.869 1.196 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.975 5.577 1.645 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.665 6.342 3.368 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.463 7.593 2.970 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.198 7.927 2.758 1.00 0.00 H new ATOM 99 N LYS A 7 -6.745 9.558 1.363 1.00 0.00 N ATOM 100 CA LYS A 7 -5.499 10.245 1.805 1.00 0.00 C ATOM 101 C LYS A 7 -4.962 9.584 3.080 1.00 0.00 C ATOM 102 O LYS A 7 -5.701 9.004 3.850 1.00 0.00 O ATOM 103 CB LYS A 7 -5.814 11.714 2.086 1.00 0.00 C ATOM 104 CG LYS A 7 -6.164 12.421 0.775 1.00 0.00 C ATOM 105 CD LYS A 7 -6.507 13.885 1.057 1.00 0.00 C ATOM 106 CE LYS A 7 -6.843 14.593 -0.257 1.00 0.00 C ATOM 107 NZ LYS A 7 -7.196 16.014 0.019 1.00 0.00 N ATOM 0 H LYS A 7 -7.611 10.046 1.594 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.745 10.170 1.022 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.646 11.791 2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.957 12.198 2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.325 12.361 0.082 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.008 11.925 0.297 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.353 13.946 1.742 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.666 14.379 1.544 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.992 14.544 -0.936 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.674 14.090 -0.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.424 16.495 -0.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.020 16.050 0.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.390 16.490 0.472 1.00 0.00 H new ATOM 121 N ILE A 8 -3.679 9.672 3.305 1.00 0.00 N ATOM 122 CA ILE A 8 -3.080 9.053 4.522 1.00 0.00 C ATOM 123 C ILE A 8 -3.671 9.712 5.772 1.00 0.00 C ATOM 124 O ILE A 8 -4.001 9.052 6.735 1.00 0.00 O ATOM 125 CB ILE A 8 -1.562 9.269 4.498 1.00 0.00 C ATOM 126 CG1 ILE A 8 -0.952 8.461 3.348 1.00 0.00 C ATOM 127 CG2 ILE A 8 -0.950 8.812 5.825 1.00 0.00 C ATOM 128 CD1 ILE A 8 0.517 8.852 3.168 1.00 0.00 C ATOM 0 H ILE A 8 -3.016 10.149 2.694 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.299 7.985 4.539 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.351 10.329 4.354 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.032 7.394 3.557 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.504 8.647 2.427 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.128 8.968 5.801 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.382 9.389 6.643 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.160 7.753 5.977 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.949 8.276 2.350 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.585 9.915 2.939 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.064 8.643 4.087 1.00 0.00 H new ATOM 140 N VAL A 9 -3.800 11.009 5.765 1.00 0.00 N ATOM 141 CA VAL A 9 -4.361 11.709 6.953 1.00 0.00 C ATOM 142 C VAL A 9 -5.804 11.244 7.179 1.00 0.00 C ATOM 143 O VAL A 9 -6.298 11.234 8.289 1.00 0.00 O ATOM 144 CB VAL A 9 -4.326 13.220 6.707 1.00 0.00 C ATOM 145 CG1 VAL A 9 -5.282 13.581 5.570 1.00 0.00 C ATOM 146 CG2 VAL A 9 -4.742 13.961 7.979 1.00 0.00 C ATOM 0 H VAL A 9 -3.541 11.615 4.987 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.770 11.476 7.839 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.312 13.513 6.433 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.254 14.657 5.399 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.979 13.061 4.661 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.296 13.283 5.838 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.716 15.036 7.799 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.753 13.665 8.259 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.054 13.711 8.787 1.00 0.00 H new ATOM 156 N ASP A 10 -6.477 10.850 6.133 1.00 0.00 N ATOM 157 CA ASP A 10 -7.882 10.373 6.273 1.00 0.00 C ATOM 158 C ASP A 10 -7.904 9.053 7.048 1.00 0.00 C ATOM 159 O ASP A 10 -8.837 8.761 7.767 1.00 0.00 O ATOM 160 CB ASP A 10 -8.473 10.150 4.880 1.00 0.00 C ATOM 161 CG ASP A 10 -9.979 9.907 4.987 1.00 0.00 C ATOM 162 OD1 ASP A 10 -10.444 9.657 6.087 1.00 0.00 O ATOM 163 OD2 ASP A 10 -10.642 9.973 3.965 1.00 0.00 O ATOM 0 H ASP A 10 -6.111 10.838 5.181 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.468 11.117 6.812 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.280 11.018 4.250 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.991 9.297 4.403 1.00 0.00 H new ATOM 168 N ILE A 11 -6.891 8.244 6.889 1.00 0.00 N ATOM 169 CA ILE A 11 -6.869 6.934 7.598 1.00 0.00 C ATOM 170 C ILE A 11 -6.701 7.151 9.102 1.00 0.00 C ATOM 171 O ILE A 11 -5.728 7.716 9.558 1.00 0.00 O ATOM 172 CB ILE A 11 -5.703 6.091 7.071 1.00 0.00 C ATOM 173 CG1 ILE A 11 -5.943 5.764 5.594 1.00 0.00 C ATOM 174 CG2 ILE A 11 -5.601 4.791 7.873 1.00 0.00 C ATOM 175 CD1 ILE A 11 -4.686 5.130 4.992 1.00 0.00 C ATOM 0 H ILE A 11 -6.080 8.434 6.300 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.811 6.416 7.418 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.774 6.651 7.176 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.788 5.082 5.496 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.201 6.672 5.048 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.771 4.195 7.495 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.431 5.024 8.924 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.528 4.227 7.772 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.862 4.899 3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.852 5.826 5.076 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.448 4.212 5.530 1.00 0.00 H new ATOM 187 N VAL A 12 -7.648 6.689 9.872 1.00 0.00 N ATOM 188 CA VAL A 12 -7.568 6.840 11.354 1.00 0.00 C ATOM 189 C VAL A 12 -8.262 5.647 12.015 1.00 0.00 C ATOM 190 O VAL A 12 -8.470 5.630 13.211 1.00 0.00 O ATOM 191 CB VAL A 12 -8.254 8.142 11.778 1.00 0.00 C ATOM 192 CG1 VAL A 12 -7.472 9.331 11.220 1.00 0.00 C ATOM 193 CG2 VAL A 12 -9.683 8.174 11.230 1.00 0.00 C ATOM 0 H VAL A 12 -8.482 6.209 9.535 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.524 6.874 11.665 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.282 8.198 12.866 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.958 10.259 11.520 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.454 9.312 11.609 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.446 9.271 10.132 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.168 9.102 11.533 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.657 8.117 10.142 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.243 7.326 11.624 1.00 0.00 H new ATOM 203 N GLU A 13 -8.617 4.643 11.243 1.00 0.00 N ATOM 204 CA GLU A 13 -9.293 3.438 11.823 1.00 0.00 C ATOM 205 C GLU A 13 -8.655 2.169 11.255 1.00 0.00 C ATOM 206 O GLU A 13 -8.331 2.091 10.086 1.00 0.00 O ATOM 207 CB GLU A 13 -10.783 3.459 11.475 1.00 0.00 C ATOM 208 CG GLU A 13 -11.466 2.266 12.147 1.00 0.00 C ATOM 209 CD GLU A 13 -12.973 2.326 11.899 1.00 0.00 C ATOM 210 OE1 GLU A 13 -13.385 3.110 11.060 1.00 0.00 O ATOM 211 OE2 GLU A 13 -13.689 1.587 12.555 1.00 0.00 O ATOM 0 H GLU A 13 -8.467 4.608 10.235 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.177 3.451 12.907 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.236 4.391 11.812 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.918 3.411 10.394 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.060 1.334 11.754 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.264 2.275 13.218 1.00 0.00 H new ATOM 218 N ASN A 14 -8.468 1.178 12.084 1.00 0.00 N ATOM 219 CA ASN A 14 -7.842 -0.091 11.614 1.00 0.00 C ATOM 220 C ASN A 14 -8.886 -0.991 10.948 1.00 0.00 C ATOM 221 O ASN A 14 -10.060 -0.942 11.260 1.00 0.00 O ATOM 222 CB ASN A 14 -7.216 -0.818 12.805 1.00 0.00 C ATOM 223 CG ASN A 14 -8.285 -1.120 13.857 1.00 0.00 C ATOM 224 OD1 ASN A 14 -9.422 -1.390 13.527 1.00 0.00 O ATOM 225 ND2 ASN A 14 -7.963 -1.082 15.122 1.00 0.00 N ATOM 0 H ASN A 14 -8.723 1.193 13.071 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.071 0.145 10.880 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.751 -1.745 12.471 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -6.428 -0.205 13.242 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.667 -1.279 15.834 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.008 -0.855 15.399 1.00 0.00 H new ATOM 232 N GLY A 15 -8.458 -1.810 10.024 1.00 0.00 N ATOM 233 CA GLY A 15 -9.409 -2.716 9.322 1.00 0.00 C ATOM 234 C GLY A 15 -10.158 -1.918 8.258 1.00 0.00 C ATOM 235 O GLY A 15 -11.054 -2.416 7.607 1.00 0.00 O ATOM 0 H GLY A 15 -7.486 -1.889 9.725 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.870 -3.545 8.862 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.112 -3.149 10.033 1.00 0.00 H new ATOM 239 N GLN A 16 -9.797 -0.676 8.080 1.00 0.00 N ATOM 240 CA GLN A 16 -10.490 0.163 7.065 1.00 0.00 C ATOM 241 C GLN A 16 -10.080 -0.281 5.662 1.00 0.00 C ATOM 242 O GLN A 16 -8.911 -0.411 5.354 1.00 0.00 O ATOM 243 CB GLN A 16 -10.115 1.631 7.280 1.00 0.00 C ATOM 244 CG GLN A 16 -10.828 2.501 6.242 1.00 0.00 C ATOM 245 CD GLN A 16 -10.657 3.976 6.610 1.00 0.00 C ATOM 246 OE1 GLN A 16 -10.961 4.375 7.715 1.00 0.00 O ATOM 247 NE2 GLN A 16 -10.181 4.808 5.725 1.00 0.00 N ATOM 0 H GLN A 16 -9.051 -0.207 8.595 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.569 0.048 7.171 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.395 1.945 8.286 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.036 1.757 7.195 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.418 2.313 5.250 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.887 2.245 6.203 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.925 4.473 4.796 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.065 5.793 5.962 1.00 0.00 H new ATOM 256 N TRP A 17 -11.045 -0.523 4.811 1.00 0.00 N ATOM 257 CA TRP A 17 -10.741 -0.970 3.419 1.00 0.00 C ATOM 258 C TRP A 17 -10.842 0.212 2.459 1.00 0.00 C ATOM 259 O TRP A 17 -11.755 1.008 2.538 1.00 0.00 O ATOM 260 CB TRP A 17 -11.754 -2.037 3.007 1.00 0.00 C ATOM 261 CG TRP A 17 -11.470 -3.296 3.756 1.00 0.00 C ATOM 262 CD1 TRP A 17 -11.950 -3.593 4.984 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.646 -4.425 3.351 1.00 0.00 C ATOM 264 NE1 TRP A 17 -11.473 -4.835 5.360 1.00 0.00 N ATOM 265 CE2 TRP A 17 -10.666 -5.389 4.386 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.892 -4.705 2.198 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -9.962 -6.589 4.281 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -9.182 -5.911 2.088 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.216 -6.851 3.128 1.00 0.00 C ATOM 0 H TRP A 17 -12.038 -0.429 5.024 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.730 -1.377 3.383 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.767 -1.695 3.218 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -11.695 -2.217 1.934 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -12.599 -2.964 5.574 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -11.691 -5.287 6.248 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -9.859 -3.987 1.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -9.993 -7.310 5.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -8.606 -6.116 1.197 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -8.666 -7.776 3.038 1.00 0.00 H new ATOM 280 N ALA A 18 -9.918 0.322 1.544 1.00 0.00 N ATOM 281 CA ALA A 18 -9.967 1.447 0.562 1.00 0.00 C ATOM 282 C ALA A 18 -8.754 1.361 -0.363 1.00 0.00 C ATOM 283 O ALA A 18 -7.915 0.491 -0.223 1.00 0.00 O ATOM 284 CB ALA A 18 -9.957 2.793 1.300 1.00 0.00 C ATOM 0 H ALA A 18 -9.131 -0.317 1.432 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.883 1.373 -0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.993 3.606 0.575 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.825 2.854 1.957 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.046 2.876 1.893 1.00 0.00 H new ATOM 290 N ASN A 19 -8.658 2.259 -1.312 1.00 0.00 N ATOM 291 CA ASN A 19 -7.503 2.242 -2.259 1.00 0.00 C ATOM 292 C ASN A 19 -6.509 3.326 -1.851 1.00 0.00 C ATOM 293 O ASN A 19 -6.890 4.376 -1.370 1.00 0.00 O ATOM 294 CB ASN A 19 -8.012 2.529 -3.667 1.00 0.00 C ATOM 295 CG ASN A 19 -9.020 1.449 -4.059 1.00 0.00 C ATOM 296 OD1 ASN A 19 -9.132 0.438 -3.397 1.00 0.00 O ATOM 297 ND2 ASN A 19 -9.771 1.625 -5.109 1.00 0.00 N ATOM 0 H ASN A 19 -9.334 3.006 -1.471 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.015 1.268 -2.235 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.480 3.513 -3.705 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.181 2.543 -4.373 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.452 0.914 -5.374 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.678 2.474 -5.666 1.00 0.00 H new ATOM 304 N LEU A 20 -5.236 3.079 -2.028 1.00 0.00 N ATOM 305 CA LEU A 20 -4.212 4.096 -1.639 1.00 0.00 C ATOM 306 C LEU A 20 -3.105 4.160 -2.692 1.00 0.00 C ATOM 307 O LEU A 20 -2.598 3.151 -3.139 1.00 0.00 O ATOM 308 CB LEU A 20 -3.606 3.705 -0.289 1.00 0.00 C ATOM 309 CG LEU A 20 -2.617 4.784 0.184 1.00 0.00 C ATOM 310 CD1 LEU A 20 -3.349 6.118 0.421 1.00 0.00 C ATOM 311 CD2 LEU A 20 -1.953 4.316 1.486 1.00 0.00 C ATOM 0 H LEU A 20 -4.861 2.217 -2.425 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.688 5.074 -1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.397 3.578 0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.095 2.746 -0.376 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.859 4.939 -0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.635 6.871 0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.815 6.447 -0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.116 5.982 1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.250 5.075 1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.717 4.158 2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.420 3.382 1.307 1.00 0.00 H new ATOM 323 N LYS A 21 -2.718 5.352 -3.069 1.00 0.00 N ATOM 324 CA LYS A 21 -1.625 5.531 -4.077 1.00 0.00 C ATOM 325 C LYS A 21 -0.428 6.189 -3.396 1.00 0.00 C ATOM 326 O LYS A 21 -0.579 7.105 -2.613 1.00 0.00 O ATOM 327 CB LYS A 21 -2.121 6.428 -5.210 1.00 0.00 C ATOM 328 CG LYS A 21 -0.964 6.723 -6.167 1.00 0.00 C ATOM 329 CD LYS A 21 -1.507 7.351 -7.451 1.00 0.00 C ATOM 330 CE LYS A 21 -2.181 8.688 -7.131 1.00 0.00 C ATOM 331 NZ LYS A 21 -2.308 9.490 -8.379 1.00 0.00 N ATOM 0 H LYS A 21 -3.118 6.222 -2.717 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.334 4.563 -4.484 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.935 5.940 -5.746 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.519 7.358 -4.805 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.251 7.398 -5.694 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.427 5.803 -6.399 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.696 7.504 -8.163 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.222 6.677 -7.922 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.165 8.516 -6.694 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.595 9.235 -6.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.766 10.398 -8.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.363 9.664 -8.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.884 8.968 -9.070 1.00 0.00 H new ATOM 345 N ALA A 22 0.763 5.732 -3.676 1.00 0.00 N ATOM 346 CA ALA A 22 1.951 6.353 -3.019 1.00 0.00 C ATOM 347 C ALA A 22 3.221 6.050 -3.811 1.00 0.00 C ATOM 348 O ALA A 22 3.219 5.261 -4.734 1.00 0.00 O ATOM 349 CB ALA A 22 2.098 5.797 -1.605 1.00 0.00 C ATOM 0 H ALA A 22 0.964 4.968 -4.321 1.00 0.00 H new ATOM 0 HA ALA A 22 1.805 7.433 -2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.965 6.250 -1.124 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.202 6.027 -1.028 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.232 4.716 -1.651 1.00 0.00 H new ATOM 355 N LYS A 23 4.309 6.687 -3.450 1.00 0.00 N ATOM 356 CA LYS A 23 5.603 6.465 -4.164 1.00 0.00 C ATOM 357 C LYS A 23 6.527 5.607 -3.303 1.00 0.00 C ATOM 358 O LYS A 23 6.533 5.704 -2.093 1.00 0.00 O ATOM 359 CB LYS A 23 6.265 7.816 -4.436 1.00 0.00 C ATOM 360 CG LYS A 23 7.557 7.608 -5.230 1.00 0.00 C ATOM 361 CD LYS A 23 8.184 8.967 -5.547 1.00 0.00 C ATOM 362 CE LYS A 23 9.476 8.766 -6.346 1.00 0.00 C ATOM 363 NZ LYS A 23 9.143 8.467 -7.768 1.00 0.00 N ATOM 0 H LYS A 23 4.354 7.358 -2.683 1.00 0.00 H new ATOM 0 HA LYS A 23 5.415 5.952 -5.107 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.584 8.460 -4.993 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.483 8.321 -3.495 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.255 6.998 -4.656 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.346 7.068 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.484 9.577 -6.117 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.396 9.505 -4.623 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.095 9.661 -6.287 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.057 7.949 -5.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.826 7.780 -8.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.184 8.069 -7.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.187 9.343 -8.326 1.00 0.00 H new ATOM 377 N VAL A 24 7.302 4.755 -3.920 1.00 0.00 N ATOM 378 CA VAL A 24 8.217 3.879 -3.134 1.00 0.00 C ATOM 379 C VAL A 24 9.504 4.633 -2.802 1.00 0.00 C ATOM 380 O VAL A 24 10.231 5.065 -3.674 1.00 0.00 O ATOM 381 CB VAL A 24 8.535 2.632 -3.957 1.00 0.00 C ATOM 382 CG1 VAL A 24 9.474 1.717 -3.168 1.00 0.00 C ATOM 383 CG2 VAL A 24 7.233 1.884 -4.260 1.00 0.00 C ATOM 0 H VAL A 24 7.341 4.628 -4.931 1.00 0.00 H new ATOM 0 HA VAL A 24 7.737 3.588 -2.200 1.00 0.00 H new ATOM 0 HB VAL A 24 9.018 2.926 -4.889 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.698 0.829 -3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.399 2.249 -2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.994 1.421 -2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.454 0.993 -4.847 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.754 1.593 -3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.563 2.533 -4.824 1.00 0.00 H new ATOM 393 N ILE A 25 9.786 4.788 -1.534 1.00 0.00 N ATOM 394 CA ILE A 25 11.020 5.510 -1.104 1.00 0.00 C ATOM 395 C ILE A 25 12.119 4.493 -0.804 1.00 0.00 C ATOM 396 O ILE A 25 13.120 4.428 -1.485 1.00 0.00 O ATOM 397 CB ILE A 25 10.719 6.305 0.168 1.00 0.00 C ATOM 398 CG1 ILE A 25 9.685 7.394 -0.140 1.00 0.00 C ATOM 399 CG2 ILE A 25 12.009 6.948 0.694 1.00 0.00 C ATOM 400 CD1 ILE A 25 9.178 8.005 1.172 1.00 0.00 C ATOM 0 H ILE A 25 9.207 4.441 -0.770 1.00 0.00 H new ATOM 0 HA ILE A 25 11.345 6.184 -1.896 1.00 0.00 H new ATOM 0 HB ILE A 25 10.319 5.633 0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.131 8.168 -0.765 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.852 6.971 -0.702 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.791 7.513 1.600 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.738 6.170 0.919 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.416 7.619 -0.063 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.443 8.779 0.953 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.716 7.228 1.781 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.015 8.443 1.717 1.00 0.00 H new ATOM 412 N GLN A 26 11.939 3.698 0.219 1.00 0.00 N ATOM 413 CA GLN A 26 12.971 2.680 0.575 1.00 0.00 C ATOM 414 C GLN A 26 12.298 1.428 1.135 1.00 0.00 C ATOM 415 O GLN A 26 11.309 1.498 1.845 1.00 0.00 O ATOM 416 CB GLN A 26 13.930 3.266 1.618 1.00 0.00 C ATOM 417 CG GLN A 26 14.924 4.202 0.926 1.00 0.00 C ATOM 418 CD GLN A 26 15.868 4.806 1.966 1.00 0.00 C ATOM 419 OE1 GLN A 26 16.402 4.104 2.800 1.00 0.00 O ATOM 420 NE2 GLN A 26 16.098 6.089 1.948 1.00 0.00 N ATOM 0 H GLN A 26 11.119 3.711 0.825 1.00 0.00 H new ATOM 0 HA GLN A 26 13.532 2.409 -0.320 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.370 3.810 2.378 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.464 2.464 2.129 1.00 0.00 H new ATOM 0 HG2 GLN A 26 15.495 3.653 0.177 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.389 4.994 0.402 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.649 6.678 1.247 1.00 0.00 H new ATOM 0 HE22 GLN A 26 16.727 6.504 2.635 1.00 0.00 H new ATOM 429 N LEU A 27 12.841 0.281 0.807 1.00 0.00 N ATOM 430 CA LEU A 27 12.272 -1.014 1.288 1.00 0.00 C ATOM 431 C LEU A 27 13.367 -1.811 1.998 1.00 0.00 C ATOM 432 O LEU A 27 14.485 -1.898 1.532 1.00 0.00 O ATOM 433 CB LEU A 27 11.733 -1.818 0.086 1.00 0.00 C ATOM 434 CG LEU A 27 12.525 -1.457 -1.193 1.00 0.00 C ATOM 435 CD1 LEU A 27 12.543 -2.654 -2.150 1.00 0.00 C ATOM 436 CD2 LEU A 27 11.871 -0.255 -1.899 1.00 0.00 C ATOM 0 H LEU A 27 13.668 0.188 0.217 1.00 0.00 H new ATOM 0 HA LEU A 27 11.455 -0.822 1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 27 11.817 -2.886 0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.674 -1.603 -0.060 1.00 0.00 H new ATOM 0 HG LEU A 27 13.546 -1.199 -0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.102 -2.393 -3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 27 13.019 -3.504 -1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.521 -2.917 -2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.436 -0.009 -2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.846 -0.507 -2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 27 11.867 0.603 -1.227 1.00 0.00 H new ATOM 448 N TRP A 28 13.041 -2.401 3.120 1.00 0.00 N ATOM 449 CA TRP A 28 14.042 -3.210 3.880 1.00 0.00 C ATOM 450 C TRP A 28 13.643 -4.686 3.819 1.00 0.00 C ATOM 451 O TRP A 28 12.499 -5.042 4.021 1.00 0.00 O ATOM 452 CB TRP A 28 14.064 -2.732 5.331 1.00 0.00 C ATOM 453 CG TRP A 28 14.671 -1.365 5.381 1.00 0.00 C ATOM 454 CD1 TRP A 28 13.986 -0.203 5.277 1.00 0.00 C ATOM 455 CD2 TRP A 28 16.072 -1.000 5.541 1.00 0.00 C ATOM 456 NE1 TRP A 28 14.878 0.852 5.365 1.00 0.00 N ATOM 457 CE2 TRP A 28 16.176 0.410 5.529 1.00 0.00 C ATOM 458 CE3 TRP A 28 17.249 -1.751 5.695 1.00 0.00 C ATOM 459 CZ2 TRP A 28 17.407 1.054 5.665 1.00 0.00 C ATOM 460 CZ3 TRP A 28 18.491 -1.108 5.833 1.00 0.00 C ATOM 461 CH2 TRP A 28 18.569 0.292 5.818 1.00 0.00 C ATOM 0 H TRP A 28 12.115 -2.356 3.546 1.00 0.00 H new ATOM 0 HA TRP A 28 15.034 -3.090 3.445 1.00 0.00 H new ATOM 0 HB2 TRP A 28 13.052 -2.710 5.736 1.00 0.00 H new ATOM 0 HB3 TRP A 28 14.640 -3.423 5.947 1.00 0.00 H new ATOM 0 HD1 TRP A 28 12.918 -0.113 5.147 1.00 0.00 H new ATOM 0 HE1 TRP A 28 14.610 1.835 5.315 1.00 0.00 H new ATOM 0 HE3 TRP A 28 17.199 -2.830 5.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 17.461 2.133 5.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 19.390 -1.695 5.951 1.00 0.00 H new ATOM 0 HH2 TRP A 28 19.526 0.781 5.925 1.00 0.00 H new ATOM 472 N GLU A 29 14.582 -5.542 3.525 1.00 0.00 N ATOM 473 CA GLU A 29 14.278 -6.999 3.428 1.00 0.00 C ATOM 474 C GLU A 29 14.027 -7.580 4.816 1.00 0.00 C ATOM 475 O GLU A 29 14.750 -7.309 5.753 1.00 0.00 O ATOM 476 CB GLU A 29 15.471 -7.707 2.786 1.00 0.00 C ATOM 477 CG GLU A 29 15.604 -7.265 1.328 1.00 0.00 C ATOM 478 CD GLU A 29 14.400 -7.764 0.526 1.00 0.00 C ATOM 479 OE1 GLU A 29 13.770 -8.709 0.971 1.00 0.00 O ATOM 480 OE2 GLU A 29 14.129 -7.193 -0.517 1.00 0.00 O ATOM 0 H GLU A 29 15.555 -5.293 3.346 1.00 0.00 H new ATOM 0 HA GLU A 29 13.383 -7.144 2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 29 16.384 -7.472 3.333 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.337 -8.787 2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.666 -6.178 1.272 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.526 -7.659 0.901 1.00 0.00 H new ATOM 547 N SER A 34 7.067 -15.146 7.714 1.00 0.00 N ATOM 548 CA SER A 34 5.714 -14.572 7.468 1.00 0.00 C ATOM 549 C SER A 34 5.835 -13.290 6.646 1.00 0.00 C ATOM 550 O SER A 34 5.391 -13.215 5.518 1.00 0.00 O ATOM 551 CB SER A 34 5.061 -14.242 8.810 1.00 0.00 C ATOM 552 OG SER A 34 5.683 -13.089 9.364 1.00 0.00 O ATOM 0 HA SER A 34 5.109 -15.296 6.922 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.994 -14.064 8.675 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.159 -15.086 9.493 1.00 0.00 H new ATOM 0 HG SER A 34 5.266 -12.874 10.224 1.00 0.00 H new ATOM 558 N ILE A 35 6.423 -12.276 7.214 1.00 0.00 N ATOM 559 CA ILE A 35 6.567 -10.987 6.488 1.00 0.00 C ATOM 560 C ILE A 35 7.649 -11.107 5.415 1.00 0.00 C ATOM 561 O ILE A 35 8.713 -11.645 5.646 1.00 0.00 O ATOM 562 CB ILE A 35 6.945 -9.891 7.485 1.00 0.00 C ATOM 563 CG1 ILE A 35 5.777 -9.668 8.451 1.00 0.00 C ATOM 564 CG2 ILE A 35 7.255 -8.591 6.735 1.00 0.00 C ATOM 565 CD1 ILE A 35 6.235 -8.793 9.619 1.00 0.00 C ATOM 0 H ILE A 35 6.812 -12.286 8.157 1.00 0.00 H new ATOM 0 HA ILE A 35 5.623 -10.735 6.005 1.00 0.00 H new ATOM 0 HB ILE A 35 7.830 -10.195 8.045 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.947 -9.191 7.930 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.412 -10.625 8.822 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.524 -7.814 7.450 1.00 0.00 H new ATOM 0 HG22 ILE A 35 8.086 -8.756 6.049 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.376 -8.278 6.172 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.402 -8.636 10.304 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.051 -9.288 10.146 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.579 -7.831 9.240 1.00 0.00 H new ATOM 577 N SER A 36 7.375 -10.608 4.240 1.00 0.00 N ATOM 578 CA SER A 36 8.370 -10.682 3.131 1.00 0.00 C ATOM 579 C SER A 36 9.227 -9.417 3.126 1.00 0.00 C ATOM 580 O SER A 36 10.429 -9.469 3.302 1.00 0.00 O ATOM 581 CB SER A 36 7.627 -10.783 1.799 1.00 0.00 C ATOM 582 OG SER A 36 8.557 -11.068 0.763 1.00 0.00 O ATOM 0 H SER A 36 6.497 -10.148 3.999 1.00 0.00 H new ATOM 0 HA SER A 36 9.007 -11.555 3.272 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.871 -11.566 1.850 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.106 -9.849 1.589 1.00 0.00 H new ATOM 0 HG SER A 36 8.083 -11.135 -0.092 1.00 0.00 H new ATOM 588 N GLN A 37 8.616 -8.276 2.915 1.00 0.00 N ATOM 589 CA GLN A 37 9.390 -6.996 2.881 1.00 0.00 C ATOM 590 C GLN A 37 8.641 -5.913 3.654 1.00 0.00 C ATOM 591 O GLN A 37 7.438 -5.961 3.811 1.00 0.00 O ATOM 592 CB GLN A 37 9.552 -6.556 1.425 1.00 0.00 C ATOM 593 CG GLN A 37 10.482 -7.533 0.704 1.00 0.00 C ATOM 594 CD GLN A 37 10.552 -7.175 -0.781 1.00 0.00 C ATOM 595 OE1 GLN A 37 9.559 -7.232 -1.478 1.00 0.00 O ATOM 596 NE2 GLN A 37 11.691 -6.808 -1.300 1.00 0.00 N ATOM 0 H GLN A 37 7.612 -8.176 2.765 1.00 0.00 H new ATOM 0 HA GLN A 37 10.367 -7.149 3.339 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.581 -6.528 0.931 1.00 0.00 H new ATOM 0 HB3 GLN A 37 9.961 -5.547 1.381 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.478 -7.495 1.145 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.119 -8.553 0.826 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.526 -6.760 -0.716 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.747 -6.569 -2.290 1.00 0.00 H new ATOM 605 N VAL A 38 9.355 -4.931 4.136 1.00 0.00 N ATOM 606 CA VAL A 38 8.708 -3.826 4.901 1.00 0.00 C ATOM 607 C VAL A 38 9.406 -2.511 4.561 1.00 0.00 C ATOM 608 O VAL A 38 10.609 -2.466 4.392 1.00 0.00 O ATOM 609 CB VAL A 38 8.825 -4.106 6.401 1.00 0.00 C ATOM 610 CG1 VAL A 38 10.300 -4.199 6.803 1.00 0.00 C ATOM 611 CG2 VAL A 38 8.156 -2.971 7.179 1.00 0.00 C ATOM 0 H VAL A 38 10.366 -4.847 4.032 1.00 0.00 H new ATOM 0 HA VAL A 38 7.653 -3.758 4.634 1.00 0.00 H new ATOM 0 HB VAL A 38 8.333 -5.051 6.630 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.374 -4.398 7.872 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.778 -5.007 6.249 1.00 0.00 H new ATOM 0 HG13 VAL A 38 10.800 -3.258 6.574 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.237 -3.166 8.248 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.650 -2.028 6.944 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.104 -2.909 6.900 1.00 0.00 H new ATOM 621 N GLY A 39 8.669 -1.440 4.451 1.00 0.00 N ATOM 622 CA GLY A 39 9.318 -0.143 4.113 1.00 0.00 C ATOM 623 C GLY A 39 8.339 1.007 4.309 1.00 0.00 C ATOM 624 O GLY A 39 7.354 0.884 5.008 1.00 0.00 O ATOM 0 H GLY A 39 7.658 -1.406 4.579 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.196 0.007 4.742 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.666 -0.161 3.080 1.00 0.00 H new ATOM 628 N LEU A 40 8.609 2.132 3.687 1.00 0.00 N ATOM 629 CA LEU A 40 7.700 3.313 3.823 1.00 0.00 C ATOM 630 C LEU A 40 7.430 3.908 2.442 1.00 0.00 C ATOM 631 O LEU A 40 8.263 3.851 1.561 1.00 0.00 O ATOM 632 CB LEU A 40 8.350 4.368 4.727 1.00 0.00 C ATOM 633 CG LEU A 40 9.817 4.618 4.295 1.00 0.00 C ATOM 634 CD1 LEU A 40 10.191 6.084 4.541 1.00 0.00 C ATOM 635 CD2 LEU A 40 10.772 3.720 5.101 1.00 0.00 C ATOM 0 H LEU A 40 9.422 2.282 3.090 1.00 0.00 H new ATOM 0 HA LEU A 40 6.758 2.995 4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.785 5.299 4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.321 4.035 5.764 1.00 0.00 H new ATOM 0 HG LEU A 40 9.907 4.385 3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.224 6.252 4.235 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.531 6.730 3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.085 6.314 5.601 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.799 3.907 4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.671 3.943 6.163 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.523 2.674 4.925 1.00 0.00 H new ATOM 647 N LEU A 41 6.256 4.464 2.245 1.00 0.00 N ATOM 648 CA LEU A 41 5.901 5.052 0.913 1.00 0.00 C ATOM 649 C LEU A 41 5.658 6.554 1.055 1.00 0.00 C ATOM 650 O LEU A 41 4.964 7.004 1.945 1.00 0.00 O ATOM 651 CB LEU A 41 4.627 4.385 0.396 1.00 0.00 C ATOM 652 CG LEU A 41 4.785 2.861 0.414 1.00 0.00 C ATOM 653 CD1 LEU A 41 3.442 2.210 0.086 1.00 0.00 C ATOM 654 CD2 LEU A 41 5.818 2.425 -0.630 1.00 0.00 C ATOM 0 H LEU A 41 5.526 4.536 2.954 1.00 0.00 H new ATOM 0 HA LEU A 41 6.721 4.885 0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.778 4.678 1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.415 4.724 -0.618 1.00 0.00 H new ATOM 0 HG LEU A 41 5.121 2.551 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.551 1.126 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.702 2.509 0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.114 2.531 -0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.922 1.340 -0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.488 2.738 -1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.780 2.886 -0.405 1.00 0.00 H new ATOM 666 N GLY A 42 6.229 7.328 0.174 1.00 0.00 N ATOM 667 CA GLY A 42 6.049 8.805 0.234 1.00 0.00 C ATOM 668 C GLY A 42 4.693 9.193 -0.350 1.00 0.00 C ATOM 669 O GLY A 42 4.070 8.431 -1.061 1.00 0.00 O ATOM 0 H GLY A 42 6.817 6.997 -0.591 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.120 9.146 1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.847 9.299 -0.320 1.00 0.00 H new ATOM 673 N ASP A 43 4.242 10.385 -0.064 1.00 0.00 N ATOM 674 CA ASP A 43 2.931 10.842 -0.604 1.00 0.00 C ATOM 675 C ASP A 43 2.720 12.315 -0.245 1.00 0.00 C ATOM 676 O ASP A 43 3.248 12.810 0.730 1.00 0.00 O ATOM 677 CB ASP A 43 1.798 10.010 0.001 1.00 0.00 C ATOM 678 CG ASP A 43 0.479 10.378 -0.681 1.00 0.00 C ATOM 679 OD1 ASP A 43 0.528 11.072 -1.683 1.00 0.00 O ATOM 680 OD2 ASP A 43 -0.556 9.962 -0.189 1.00 0.00 O ATOM 0 H ASP A 43 4.728 11.063 0.523 1.00 0.00 H new ATOM 0 HA ASP A 43 2.929 10.720 -1.687 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.003 8.947 -0.128 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.730 10.193 1.073 1.00 0.00 H new ATOM 685 N GLU A 44 1.952 13.015 -1.032 1.00 0.00 N ATOM 686 CA GLU A 44 1.698 14.456 -0.754 1.00 0.00 C ATOM 687 C GLU A 44 0.971 14.598 0.586 1.00 0.00 C ATOM 688 O GLU A 44 0.950 15.655 1.183 1.00 0.00 O ATOM 689 CB GLU A 44 0.830 15.030 -1.875 1.00 0.00 C ATOM 690 CG GLU A 44 0.675 16.540 -1.689 1.00 0.00 C ATOM 691 CD GLU A 44 -0.131 17.115 -2.855 1.00 0.00 C ATOM 692 OE1 GLU A 44 -0.716 16.334 -3.589 1.00 0.00 O ATOM 693 OE2 GLU A 44 -0.151 18.327 -2.996 1.00 0.00 O ATOM 0 H GLU A 44 1.486 12.648 -1.862 1.00 0.00 H new ATOM 0 HA GLU A 44 2.643 14.997 -0.706 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.284 14.818 -2.843 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.149 14.551 -1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.172 16.752 -0.745 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.655 17.014 -1.641 1.00 0.00 H new ATOM 700 N THR A 45 0.373 13.538 1.064 1.00 0.00 N ATOM 701 CA THR A 45 -0.355 13.605 2.366 1.00 0.00 C ATOM 702 C THR A 45 0.593 13.206 3.495 1.00 0.00 C ATOM 703 O THR A 45 0.270 13.335 4.658 1.00 0.00 O ATOM 704 CB THR A 45 -1.545 12.643 2.333 1.00 0.00 C ATOM 705 OG1 THR A 45 -1.071 11.310 2.204 1.00 0.00 O ATOM 706 CG2 THR A 45 -2.453 12.986 1.150 1.00 0.00 C ATOM 0 H THR A 45 0.357 12.626 0.607 1.00 0.00 H new ATOM 0 HA THR A 45 -0.714 14.620 2.534 1.00 0.00 H new ATOM 0 HB THR A 45 -2.114 12.737 3.258 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.084 11.048 1.260 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.299 12.299 1.130 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.818 14.008 1.255 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.890 12.896 0.221 1.00 0.00 H new ATOM 714 N GLY A 46 1.770 12.734 3.160 1.00 0.00 N ATOM 715 CA GLY A 46 2.757 12.338 4.214 1.00 0.00 C ATOM 716 C GLY A 46 3.392 10.996 3.857 1.00 0.00 C ATOM 717 O GLY A 46 3.534 10.651 2.701 1.00 0.00 O ATOM 0 H GLY A 46 2.090 12.606 2.200 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.529 13.102 4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.260 12.269 5.182 1.00 0.00 H new ATOM 721 N ILE A 47 3.785 10.241 4.854 1.00 0.00 N ATOM 722 CA ILE A 47 4.431 8.913 4.611 1.00 0.00 C ATOM 723 C ILE A 47 3.644 7.819 5.323 1.00 0.00 C ATOM 724 O ILE A 47 3.194 7.994 6.436 1.00 0.00 O ATOM 725 CB ILE A 47 5.854 8.939 5.165 1.00 0.00 C ATOM 726 CG1 ILE A 47 6.672 9.975 4.392 1.00 0.00 C ATOM 727 CG2 ILE A 47 6.489 7.552 5.010 1.00 0.00 C ATOM 728 CD1 ILE A 47 8.013 10.199 5.089 1.00 0.00 C ATOM 0 H ILE A 47 3.684 10.492 5.838 1.00 0.00 H new ATOM 0 HA ILE A 47 4.449 8.712 3.540 1.00 0.00 H new ATOM 0 HB ILE A 47 5.835 9.205 6.222 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.835 9.634 3.370 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.122 10.914 4.331 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.505 7.571 5.405 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.899 6.818 5.559 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.515 7.280 3.955 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.592 10.938 4.535 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.840 10.560 6.103 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.565 9.260 5.127 1.00 0.00 H new ATOM 740 N ILE A 48 3.481 6.686 4.684 1.00 0.00 N ATOM 741 CA ILE A 48 2.729 5.556 5.315 1.00 0.00 C ATOM 742 C ILE A 48 3.562 4.280 5.233 1.00 0.00 C ATOM 743 O ILE A 48 4.205 4.001 4.241 1.00 0.00 O ATOM 744 CB ILE A 48 1.397 5.349 4.587 1.00 0.00 C ATOM 745 CG1 ILE A 48 0.575 4.268 5.311 1.00 0.00 C ATOM 746 CG2 ILE A 48 1.659 4.911 3.143 1.00 0.00 C ATOM 747 CD1 ILE A 48 0.215 4.728 6.733 1.00 0.00 C ATOM 0 H ILE A 48 3.838 6.494 3.748 1.00 0.00 H new ATOM 0 HA ILE A 48 2.532 5.794 6.360 1.00 0.00 H new ATOM 0 HB ILE A 48 0.841 6.286 4.584 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.335 4.058 4.749 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.144 3.339 5.356 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.709 4.765 2.629 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.235 5.680 2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.219 3.976 3.142 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.366 3.952 7.230 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.129 4.915 7.297 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.373 5.644 6.681 1.00 0.00 H new ATOM 759 N LYS A 49 3.551 3.506 6.281 1.00 0.00 N ATOM 760 CA LYS A 49 4.334 2.241 6.297 1.00 0.00 C ATOM 761 C LYS A 49 3.518 1.119 5.668 1.00 0.00 C ATOM 762 O LYS A 49 2.307 1.101 5.754 1.00 0.00 O ATOM 763 CB LYS A 49 4.679 1.885 7.739 1.00 0.00 C ATOM 764 CG LYS A 49 5.646 2.934 8.291 1.00 0.00 C ATOM 765 CD LYS A 49 6.193 2.478 9.646 1.00 0.00 C ATOM 766 CE LYS A 49 5.082 2.480 10.704 1.00 0.00 C ATOM 767 NZ LYS A 49 4.307 3.749 10.621 1.00 0.00 N ATOM 0 H LYS A 49 3.028 3.698 7.135 1.00 0.00 H new ATOM 0 HA LYS A 49 5.252 2.373 5.724 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.774 1.851 8.346 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.131 0.894 7.785 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.467 3.088 7.591 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.135 3.891 8.399 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.615 1.477 9.556 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.002 3.138 9.959 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.420 1.628 10.550 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.515 2.372 11.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.896 3.966 11.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.938 4.523 10.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.544 3.645 9.922 1.00 0.00 H new ATOM 781 N PHE A 50 4.171 0.178 5.031 1.00 0.00 N ATOM 782 CA PHE A 50 3.423 -0.946 4.393 1.00 0.00 C ATOM 783 C PHE A 50 4.214 -2.245 4.536 1.00 0.00 C ATOM 784 O PHE A 50 5.431 -2.246 4.621 1.00 0.00 O ATOM 785 CB PHE A 50 3.202 -0.636 2.909 1.00 0.00 C ATOM 786 CG PHE A 50 4.510 -0.729 2.145 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.531 0.198 2.383 1.00 0.00 C ATOM 788 CD2 PHE A 50 4.696 -1.742 1.195 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.735 0.113 1.670 1.00 0.00 C ATOM 790 CE2 PHE A 50 5.898 -1.827 0.484 1.00 0.00 C ATOM 791 CZ PHE A 50 6.917 -0.899 0.721 1.00 0.00 C ATOM 0 H PHE A 50 5.185 0.141 4.926 1.00 0.00 H new ATOM 0 HA PHE A 50 2.458 -1.061 4.887 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.479 -1.335 2.489 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.780 0.363 2.799 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.391 0.979 3.116 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.910 -2.459 1.011 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.523 0.829 1.853 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.039 -2.609 -0.248 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.845 -0.963 0.171 1.00 0.00 H new ATOM 801 N THR A 51 3.514 -3.351 4.559 1.00 0.00 N ATOM 802 CA THR A 51 4.175 -4.682 4.690 1.00 0.00 C ATOM 803 C THR A 51 3.613 -5.610 3.614 1.00 0.00 C ATOM 804 O THR A 51 2.419 -5.669 3.401 1.00 0.00 O ATOM 805 CB THR A 51 3.875 -5.257 6.075 1.00 0.00 C ATOM 806 OG1 THR A 51 4.269 -4.318 7.066 1.00 0.00 O ATOM 807 CG2 THR A 51 4.659 -6.552 6.270 1.00 0.00 C ATOM 0 H THR A 51 2.497 -3.387 4.491 1.00 0.00 H new ATOM 0 HA THR A 51 5.254 -4.584 4.568 1.00 0.00 H new ATOM 0 HB THR A 51 2.808 -5.461 6.162 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.382 -4.777 7.925 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.445 -6.962 7.257 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.366 -7.273 5.507 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.726 -6.347 6.186 1.00 0.00 H new ATOM 815 N ILE A 52 4.459 -6.325 2.924 1.00 0.00 N ATOM 816 CA ILE A 52 3.966 -7.238 1.847 1.00 0.00 C ATOM 817 C ILE A 52 3.841 -8.658 2.379 1.00 0.00 C ATOM 818 O ILE A 52 4.785 -9.235 2.881 1.00 0.00 O ATOM 819 CB ILE A 52 4.960 -7.216 0.686 1.00 0.00 C ATOM 820 CG1 ILE A 52 5.227 -5.763 0.269 1.00 0.00 C ATOM 821 CG2 ILE A 52 4.390 -8.000 -0.497 1.00 0.00 C ATOM 822 CD1 ILE A 52 3.905 -5.035 -0.001 1.00 0.00 C ATOM 0 H ILE A 52 5.470 -6.318 3.057 1.00 0.00 H new ATOM 0 HA ILE A 52 2.986 -6.901 1.508 1.00 0.00 H new ATOM 0 HB ILE A 52 5.896 -7.678 1.001 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.780 -5.248 1.055 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.850 -5.743 -0.625 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.102 -7.982 -1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.209 -9.032 -0.196 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.452 -7.546 -0.817 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.110 -4.006 -0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.368 -5.542 -0.803 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.296 -5.039 0.903 1.00 0.00 H new ATOM 834 N TRP A 53 2.674 -9.231 2.263 1.00 0.00 N ATOM 835 CA TRP A 53 2.471 -10.621 2.749 1.00 0.00 C ATOM 836 C TRP A 53 2.813 -11.602 1.626 1.00 0.00 C ATOM 837 O TRP A 53 2.491 -11.383 0.475 1.00 0.00 O ATOM 838 CB TRP A 53 1.010 -10.786 3.166 1.00 0.00 C ATOM 839 CG TRP A 53 0.777 -10.030 4.437 1.00 0.00 C ATOM 840 CD1 TRP A 53 0.238 -8.791 4.521 1.00 0.00 C ATOM 841 CD2 TRP A 53 1.072 -10.441 5.802 1.00 0.00 C ATOM 842 NE1 TRP A 53 0.184 -8.417 5.852 1.00 0.00 N ATOM 843 CE2 TRP A 53 0.684 -9.402 6.680 1.00 0.00 C ATOM 844 CE3 TRP A 53 1.631 -11.605 6.358 1.00 0.00 C ATOM 845 CZ2 TRP A 53 0.846 -9.513 8.062 1.00 0.00 C ATOM 846 CZ3 TRP A 53 1.795 -11.721 7.748 1.00 0.00 C ATOM 847 CH2 TRP A 53 1.403 -10.678 8.598 1.00 0.00 C ATOM 0 H TRP A 53 1.851 -8.793 1.851 1.00 0.00 H new ATOM 0 HA TRP A 53 3.117 -10.823 3.603 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.350 -10.415 2.381 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.776 -11.841 3.307 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.095 -8.193 3.686 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -0.181 -7.523 6.181 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.936 -12.415 5.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.543 -8.705 8.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 2.226 -12.620 8.164 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.531 -10.774 9.666 1.00 0.00 H new ATOM 858 N LYS A 54 3.471 -12.679 1.953 1.00 0.00 N ATOM 859 CA LYS A 54 3.846 -13.679 0.916 1.00 0.00 C ATOM 860 C LYS A 54 2.580 -14.277 0.295 1.00 0.00 C ATOM 861 O LYS A 54 2.541 -14.592 -0.877 1.00 0.00 O ATOM 862 CB LYS A 54 4.675 -14.791 1.562 1.00 0.00 C ATOM 863 CG LYS A 54 6.028 -14.228 2.009 1.00 0.00 C ATOM 864 CD LYS A 54 6.876 -15.349 2.611 1.00 0.00 C ATOM 865 CE LYS A 54 8.223 -14.783 3.070 1.00 0.00 C ATOM 866 NZ LYS A 54 9.043 -15.873 3.671 1.00 0.00 N ATOM 0 H LYS A 54 3.767 -12.911 2.901 1.00 0.00 H new ATOM 0 HA LYS A 54 4.432 -13.192 0.137 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.142 -15.206 2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.825 -15.606 0.853 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.546 -13.782 1.160 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.879 -13.436 2.743 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.354 -15.801 3.454 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.033 -16.136 1.874 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.750 -14.341 2.225 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.066 -13.988 3.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.958 -15.488 3.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.540 -16.275 4.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.204 -16.617 2.963 1.00 0.00 H new ATOM 919 N LEU A 58 2.536 -11.433 -5.170 1.00 0.00 N ATOM 920 CA LEU A 58 2.514 -10.336 -6.184 1.00 0.00 C ATOM 921 C LEU A 58 3.955 -9.898 -6.507 1.00 0.00 C ATOM 922 O LEU A 58 4.836 -10.021 -5.678 1.00 0.00 O ATOM 923 CB LEU A 58 1.738 -9.144 -5.620 1.00 0.00 C ATOM 924 CG LEU A 58 0.343 -9.602 -5.184 1.00 0.00 C ATOM 925 CD1 LEU A 58 -0.370 -8.444 -4.484 1.00 0.00 C ATOM 926 CD2 LEU A 58 -0.475 -10.044 -6.409 1.00 0.00 C ATOM 0 HA LEU A 58 2.033 -10.694 -7.094 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.273 -8.716 -4.772 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.656 -8.361 -6.373 1.00 0.00 H new ATOM 0 HG LEU A 58 0.439 -10.445 -4.500 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.364 -8.764 -4.171 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.205 -8.138 -3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.459 -7.603 -5.172 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.465 -10.368 -6.088 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.573 -9.208 -7.102 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.033 -10.870 -6.907 1.00 0.00 H new ATOM 938 N PRO A 59 4.198 -9.374 -7.694 1.00 0.00 N ATOM 939 CA PRO A 59 5.564 -8.901 -8.097 1.00 0.00 C ATOM 940 C PRO A 59 6.172 -7.902 -7.097 1.00 0.00 C ATOM 941 O PRO A 59 5.475 -7.157 -6.440 1.00 0.00 O ATOM 942 CB PRO A 59 5.335 -8.222 -9.460 1.00 0.00 C ATOM 943 CG PRO A 59 4.083 -8.831 -9.999 1.00 0.00 C ATOM 944 CD PRO A 59 3.219 -9.189 -8.790 1.00 0.00 C ATOM 0 HA PRO A 59 6.273 -9.728 -8.133 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.231 -7.143 -9.349 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.176 -8.394 -10.131 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.563 -8.132 -10.654 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.307 -9.718 -10.592 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.507 -8.397 -8.560 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.641 -10.096 -8.967 1.00 0.00 H new ATOM 952 N LEU A 60 7.475 -7.901 -6.977 1.00 0.00 N ATOM 953 CA LEU A 60 8.147 -6.976 -6.018 1.00 0.00 C ATOM 954 C LEU A 60 7.998 -5.527 -6.483 1.00 0.00 C ATOM 955 O LEU A 60 8.016 -5.231 -7.660 1.00 0.00 O ATOM 956 CB LEU A 60 9.633 -7.329 -5.931 1.00 0.00 C ATOM 957 CG LEU A 60 9.792 -8.814 -5.592 1.00 0.00 C ATOM 958 CD1 LEU A 60 11.281 -9.154 -5.501 1.00 0.00 C ATOM 959 CD2 LEU A 60 9.103 -9.126 -4.253 1.00 0.00 C ATOM 0 H LEU A 60 8.105 -8.505 -7.505 1.00 0.00 H new ATOM 0 HA LEU A 60 7.681 -7.083 -5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.125 -7.108 -6.878 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.118 -6.718 -5.169 1.00 0.00 H new ATOM 0 HG LEU A 60 9.327 -9.415 -6.374 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.399 -10.210 -5.260 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.761 -8.944 -6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.745 -8.550 -4.721 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.222 -10.184 -4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.556 -8.528 -3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.042 -8.887 -4.325 1.00 0.00 H new ATOM 971 N LEU A 61 7.846 -4.627 -5.552 1.00 0.00 N ATOM 972 CA LEU A 61 7.686 -3.191 -5.907 1.00 0.00 C ATOM 973 C LEU A 61 9.052 -2.596 -6.249 1.00 0.00 C ATOM 974 O LEU A 61 10.058 -2.962 -5.675 1.00 0.00 O ATOM 975 CB LEU A 61 7.073 -2.450 -4.714 1.00 0.00 C ATOM 976 CG LEU A 61 5.567 -2.730 -4.659 1.00 0.00 C ATOM 977 CD1 LEU A 61 5.324 -4.220 -4.390 1.00 0.00 C ATOM 978 CD2 LEU A 61 4.938 -1.898 -3.539 1.00 0.00 C ATOM 0 H LEU A 61 7.826 -4.828 -4.552 1.00 0.00 H new ATOM 0 HA LEU A 61 7.031 -3.090 -6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.548 -2.774 -3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.252 -1.379 -4.807 1.00 0.00 H new ATOM 0 HG LEU A 61 5.115 -2.461 -5.614 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.252 -4.413 -4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.771 -4.812 -5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.776 -4.496 -3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.867 -2.095 -3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.394 -2.167 -2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.105 -0.839 -3.735 1.00 0.00 H new ATOM 990 N GLU A 62 9.097 -1.690 -7.194 1.00 0.00 N ATOM 991 CA GLU A 62 10.401 -1.079 -7.596 1.00 0.00 C ATOM 992 C GLU A 62 10.591 0.277 -6.913 1.00 0.00 C ATOM 993 O GLU A 62 9.655 1.018 -6.690 1.00 0.00 O ATOM 994 CB GLU A 62 10.421 -0.894 -9.110 1.00 0.00 C ATOM 995 CG GLU A 62 11.780 -0.336 -9.533 1.00 0.00 C ATOM 996 CD GLU A 62 11.851 -0.262 -11.057 1.00 0.00 C ATOM 997 OE1 GLU A 62 11.015 -0.877 -11.700 1.00 0.00 O ATOM 998 OE2 GLU A 62 12.739 0.408 -11.557 1.00 0.00 O ATOM 0 H GLU A 62 8.284 -1.346 -7.706 1.00 0.00 H new ATOM 0 HA GLU A 62 11.212 -1.740 -7.290 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.235 -1.846 -9.607 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.625 -0.215 -9.415 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.927 0.655 -9.103 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.580 -0.971 -9.152 1.00 0.00 H new ATOM 1005 N GLN A 63 11.811 0.588 -6.573 1.00 0.00 N ATOM 1006 CA GLN A 63 12.111 1.876 -5.888 1.00 0.00 C ATOM 1007 C GLN A 63 12.134 3.038 -6.886 1.00 0.00 C ATOM 1008 O GLN A 63 12.659 2.928 -7.975 1.00 0.00 O ATOM 1009 CB GLN A 63 13.479 1.763 -5.216 1.00 0.00 C ATOM 1010 CG GLN A 63 13.741 3.010 -4.371 1.00 0.00 C ATOM 1011 CD GLN A 63 15.113 2.898 -3.705 1.00 0.00 C ATOM 1012 OE1 GLN A 63 16.072 2.494 -4.330 1.00 0.00 O ATOM 1013 NE2 GLN A 63 15.247 3.241 -2.454 1.00 0.00 N ATOM 0 H GLN A 63 12.624 -0.004 -6.743 1.00 0.00 H new ATOM 0 HA GLN A 63 11.333 2.074 -5.151 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.515 0.872 -4.589 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.258 1.653 -5.971 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.701 3.901 -4.997 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.965 3.118 -3.613 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.441 3.580 -1.929 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.158 3.170 -2.000 1.00 0.00 H new ATOM 1022 N GLY A 64 11.585 4.162 -6.500 1.00 0.00 N ATOM 1023 CA GLY A 64 11.587 5.353 -7.399 1.00 0.00 C ATOM 1024 C GLY A 64 10.403 5.289 -8.361 1.00 0.00 C ATOM 1025 O GLY A 64 10.325 6.056 -9.299 1.00 0.00 O ATOM 0 H GLY A 64 11.134 4.305 -5.597 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.534 6.266 -6.806 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.520 5.392 -7.961 1.00 0.00 H new ATOM 1029 N GLU A 65 9.479 4.383 -8.140 1.00 0.00 N ATOM 1030 CA GLU A 65 8.290 4.267 -9.048 1.00 0.00 C ATOM 1031 C GLU A 65 6.992 4.373 -8.250 1.00 0.00 C ATOM 1032 O GLU A 65 6.892 3.918 -7.123 1.00 0.00 O ATOM 1033 CB GLU A 65 8.332 2.930 -9.784 1.00 0.00 C ATOM 1034 CG GLU A 65 9.477 2.953 -10.796 1.00 0.00 C ATOM 1035 CD GLU A 65 9.523 1.624 -11.549 1.00 0.00 C ATOM 1036 OE1 GLU A 65 8.673 0.788 -11.289 1.00 0.00 O ATOM 1037 OE2 GLU A 65 10.404 1.467 -12.377 1.00 0.00 O ATOM 0 H GLU A 65 9.496 3.717 -7.368 1.00 0.00 H new ATOM 0 HA GLU A 65 8.324 5.083 -9.770 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.473 2.114 -9.075 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.385 2.750 -10.292 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.339 3.775 -11.498 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.424 3.126 -10.285 1.00 0.00 H new ATOM 1044 N SER A 66 5.997 4.981 -8.839 1.00 0.00 N ATOM 1045 CA SER A 66 4.687 5.134 -8.152 1.00 0.00 C ATOM 1046 C SER A 66 3.820 3.906 -8.404 1.00 0.00 C ATOM 1047 O SER A 66 3.947 3.235 -9.410 1.00 0.00 O ATOM 1048 CB SER A 66 3.986 6.384 -8.680 1.00 0.00 C ATOM 1049 OG SER A 66 4.084 6.410 -10.096 1.00 0.00 O ATOM 0 H SER A 66 6.039 5.381 -9.776 1.00 0.00 H new ATOM 0 HA SER A 66 4.849 5.233 -7.079 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.939 6.385 -8.376 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.442 7.278 -8.255 1.00 0.00 H new ATOM 0 HG SER A 66 4.929 6.832 -10.358 1.00 0.00 H new ATOM 1055 N TYR A 67 2.933 3.608 -7.494 1.00 0.00 N ATOM 1056 CA TYR A 67 2.046 2.424 -7.665 1.00 0.00 C ATOM 1057 C TYR A 67 0.668 2.720 -7.091 1.00 0.00 C ATOM 1058 O TYR A 67 0.516 3.491 -6.155 1.00 0.00 O ATOM 1059 CB TYR A 67 2.649 1.222 -6.938 1.00 0.00 C ATOM 1060 CG TYR A 67 3.863 0.745 -7.692 1.00 0.00 C ATOM 1061 CD1 TYR A 67 3.700 0.005 -8.867 1.00 0.00 C ATOM 1062 CD2 TYR A 67 5.147 1.045 -7.226 1.00 0.00 C ATOM 1063 CE1 TYR A 67 4.820 -0.437 -9.578 1.00 0.00 C ATOM 1064 CE2 TYR A 67 6.270 0.602 -7.935 1.00 0.00 C ATOM 1065 CZ TYR A 67 6.106 -0.139 -9.112 1.00 0.00 C ATOM 1066 OH TYR A 67 7.211 -0.575 -9.813 1.00 0.00 O ATOM 0 H TYR A 67 2.784 4.137 -6.635 1.00 0.00 H new ATOM 0 HA TYR A 67 1.953 2.201 -8.728 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.924 1.498 -5.920 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.914 0.420 -6.864 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.708 -0.226 -9.226 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.272 1.618 -6.319 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.693 -1.008 -10.486 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.262 0.831 -7.575 1.00 0.00 H new ATOM 0 HH TYR A 67 7.616 0.180 -10.289 1.00 0.00 H new ATOM 1076 N LEU A 68 -0.335 2.091 -7.645 1.00 0.00 N ATOM 1077 CA LEU A 68 -1.730 2.283 -7.160 1.00 0.00 C ATOM 1078 C LEU A 68 -2.164 1.009 -6.441 1.00 0.00 C ATOM 1079 O LEU A 68 -2.117 -0.075 -6.995 1.00 0.00 O ATOM 1080 CB LEU A 68 -2.645 2.554 -8.368 1.00 0.00 C ATOM 1081 CG LEU A 68 -4.122 2.419 -7.980 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -4.440 3.350 -6.810 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -4.990 2.807 -9.177 1.00 0.00 C ATOM 0 H LEU A 68 -0.243 1.442 -8.426 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.792 3.128 -6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.457 3.556 -8.754 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.411 1.854 -9.170 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.325 1.389 -7.687 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.491 3.249 -6.540 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.818 3.085 -5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.238 4.381 -7.100 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.042 2.714 -8.909 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.778 3.838 -9.461 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.769 2.147 -10.016 1.00 0.00 H new ATOM 1095 N LEU A 69 -2.587 1.136 -5.212 1.00 0.00 N ATOM 1096 CA LEU A 69 -3.037 -0.053 -4.431 1.00 0.00 C ATOM 1097 C LEU A 69 -4.559 -0.046 -4.359 1.00 0.00 C ATOM 1098 O LEU A 69 -5.163 0.964 -4.059 1.00 0.00 O ATOM 1099 CB LEU A 69 -2.474 0.032 -3.014 1.00 0.00 C ATOM 1100 CG LEU A 69 -0.953 0.190 -3.068 1.00 0.00 C ATOM 1101 CD1 LEU A 69 -0.413 0.315 -1.642 1.00 0.00 C ATOM 1102 CD2 LEU A 69 -0.323 -1.032 -3.752 1.00 0.00 C ATOM 0 H LEU A 69 -2.641 2.022 -4.710 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.687 -0.966 -4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.918 0.877 -2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.736 -0.866 -2.455 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.701 1.084 -3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.671 0.428 -1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.856 1.187 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.669 -0.581 -1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.760 -0.912 -3.786 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.570 -1.932 -3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.711 -1.121 -4.767 1.00 0.00 H new ATOM 1114 N ARG A 70 -5.184 -1.165 -4.631 1.00 0.00 N ATOM 1115 CA ARG A 70 -6.680 -1.233 -4.579 1.00 0.00 C ATOM 1116 C ARG A 70 -7.121 -2.399 -3.696 1.00 0.00 C ATOM 1117 O ARG A 70 -6.494 -3.438 -3.661 1.00 0.00 O ATOM 1118 CB ARG A 70 -7.236 -1.423 -5.993 1.00 0.00 C ATOM 1119 CG ARG A 70 -7.038 -0.131 -6.786 1.00 0.00 C ATOM 1120 CD ARG A 70 -7.568 -0.306 -8.213 1.00 0.00 C ATOM 1121 NE ARG A 70 -6.695 -1.261 -8.955 1.00 0.00 N ATOM 1122 CZ ARG A 70 -6.986 -1.599 -10.184 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -8.041 -1.101 -10.771 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -6.219 -2.436 -10.828 1.00 0.00 N ATOM 0 H ARG A 70 -4.722 -2.038 -4.888 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.063 -0.303 -4.159 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.728 -2.250 -6.489 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.295 -1.679 -5.950 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.558 0.691 -6.294 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.980 0.131 -6.812 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.593 -0.677 -8.189 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.590 0.656 -8.725 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.869 -1.652 -8.502 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.641 -0.446 -10.271 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.264 -1.367 -11.730 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.394 -2.826 -10.372 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.445 -2.701 -11.787 1.00 0.00 H new ATOM 1138 N SER A 71 -8.203 -2.217 -2.985 1.00 0.00 N ATOM 1139 CA SER A 71 -8.732 -3.288 -2.090 1.00 0.00 C ATOM 1140 C SER A 71 -7.678 -3.686 -1.055 1.00 0.00 C ATOM 1141 O SER A 71 -7.276 -4.829 -0.985 1.00 0.00 O ATOM 1142 CB SER A 71 -9.141 -4.514 -2.918 1.00 0.00 C ATOM 1143 OG SER A 71 -9.212 -5.652 -2.068 1.00 0.00 O ATOM 0 H SER A 71 -8.751 -1.357 -2.987 1.00 0.00 H new ATOM 0 HA SER A 71 -9.608 -2.903 -1.568 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.106 -4.340 -3.394 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.418 -4.686 -3.716 1.00 0.00 H new ATOM 0 HG SER A 71 -8.306 -5.960 -1.857 1.00 0.00 H new ATOM 1149 N VAL A 72 -7.239 -2.752 -0.239 1.00 0.00 N ATOM 1150 CA VAL A 72 -6.216 -3.074 0.813 1.00 0.00 C ATOM 1151 C VAL A 72 -6.824 -2.825 2.189 1.00 0.00 C ATOM 1152 O VAL A 72 -7.830 -2.153 2.318 1.00 0.00 O ATOM 1153 CB VAL A 72 -4.979 -2.189 0.632 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -4.140 -2.728 -0.525 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -5.405 -0.751 0.332 1.00 0.00 C ATOM 0 H VAL A 72 -7.546 -1.779 -0.256 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.919 -4.119 0.721 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.390 -2.199 1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.258 -2.101 -0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.829 -3.749 -0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.733 -2.719 -1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.520 -0.128 0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.998 -0.730 -0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.002 -0.368 1.160 1.00 0.00 H new ATOM 1165 N VAL A 73 -6.221 -3.381 3.215 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.752 -3.218 4.607 1.00 0.00 C ATOM 1167 C VAL A 73 -5.681 -2.608 5.511 1.00 0.00 C ATOM 1168 O VAL A 73 -4.522 -2.971 5.460 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.162 -4.594 5.147 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -5.919 -5.458 5.393 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -7.919 -4.418 6.464 1.00 0.00 C ATOM 0 H VAL A 73 -5.375 -3.946 3.146 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.615 -2.553 4.591 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.801 -5.086 4.413 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.223 -6.432 5.776 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.376 -5.590 4.457 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.273 -4.967 6.121 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.211 -5.395 6.849 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.276 -3.919 7.189 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.810 -3.814 6.294 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.066 -1.670 6.334 1.00 0.00 N ATOM 1182 CA VAL A 74 -5.081 -1.017 7.240 1.00 0.00 C ATOM 1183 C VAL A 74 -4.833 -1.899 8.465 1.00 0.00 C ATOM 1184 O VAL A 74 -5.753 -2.331 9.131 1.00 0.00 O ATOM 1185 CB VAL A 74 -5.636 0.334 7.685 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -4.668 0.984 8.673 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -5.804 1.236 6.461 1.00 0.00 C ATOM 0 H VAL A 74 -7.023 -1.328 6.417 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.138 -0.875 6.711 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.602 0.192 8.170 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.065 1.948 8.990 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.547 0.338 9.542 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.701 1.130 8.192 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.200 2.202 6.773 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.837 1.379 5.979 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.495 0.770 5.758 1.00 0.00 H new ATOM 1197 N GLY A 75 -3.587 -2.170 8.765 1.00 0.00 N ATOM 1198 CA GLY A 75 -3.255 -3.028 9.942 1.00 0.00 C ATOM 1199 C GLY A 75 -2.887 -2.155 11.144 1.00 0.00 C ATOM 1200 O GLY A 75 -2.636 -0.969 11.018 1.00 0.00 O ATOM 0 H GLY A 75 -2.781 -1.831 8.241 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.106 -3.662 10.191 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.425 -3.690 9.696 1.00 0.00 H new ATOM 1204 N GLU A 76 -2.847 -2.748 12.309 1.00 0.00 N ATOM 1205 CA GLU A 76 -2.497 -1.989 13.543 1.00 0.00 C ATOM 1206 C GLU A 76 -0.987 -2.054 13.767 1.00 0.00 C ATOM 1207 O GLU A 76 -0.413 -3.123 13.830 1.00 0.00 O ATOM 1208 CB GLU A 76 -3.216 -2.631 14.732 1.00 0.00 C ATOM 1209 CG GLU A 76 -4.721 -2.407 14.585 1.00 0.00 C ATOM 1210 CD GLU A 76 -5.464 -3.122 15.713 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -4.803 -3.702 16.558 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -6.683 -3.076 15.713 1.00 0.00 O ATOM 0 H GLU A 76 -3.045 -3.738 12.458 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.801 -0.947 13.441 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.997 -3.698 14.773 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.860 -2.196 15.666 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.943 -1.340 14.610 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.061 -2.781 13.619 1.00 0.00 H new ATOM 1219 N TYR A 77 -0.339 -0.920 13.889 1.00 0.00 N ATOM 1220 CA TYR A 77 1.140 -0.915 14.110 1.00 0.00 C ATOM 1221 C TYR A 77 1.493 0.073 15.225 1.00 0.00 C ATOM 1222 O TYR A 77 1.426 1.273 15.056 1.00 0.00 O ATOM 1223 CB TYR A 77 1.842 -0.505 12.814 1.00 0.00 C ATOM 1224 CG TYR A 77 3.335 -0.558 13.020 1.00 0.00 C ATOM 1225 CD1 TYR A 77 4.018 -1.773 12.888 1.00 0.00 C ATOM 1226 CD2 TYR A 77 4.035 0.608 13.347 1.00 0.00 C ATOM 1227 CE1 TYR A 77 5.402 -1.821 13.083 1.00 0.00 C ATOM 1228 CE2 TYR A 77 5.419 0.560 13.542 1.00 0.00 C ATOM 1229 CZ TYR A 77 6.103 -0.654 13.411 1.00 0.00 C ATOM 1230 OH TYR A 77 7.468 -0.702 13.605 1.00 0.00 O ATOM 0 H TYR A 77 -0.772 0.003 13.845 1.00 0.00 H new ATOM 0 HA TYR A 77 1.468 -1.912 14.402 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.551 -1.172 12.002 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.538 0.501 12.525 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.476 -2.673 12.636 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.507 1.545 13.449 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.930 -2.758 12.981 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.960 1.460 13.794 1.00 0.00 H new ATOM 0 HH TYR A 77 7.799 0.194 13.825 1.00 0.00 H new ATOM 1240 N ASN A 78 1.878 -0.440 16.361 1.00 0.00 N ATOM 1241 CA ASN A 78 2.256 0.429 17.515 1.00 0.00 C ATOM 1242 C ASN A 78 1.295 1.618 17.647 1.00 0.00 C ATOM 1243 O ASN A 78 0.099 1.454 17.783 1.00 0.00 O ATOM 1244 CB ASN A 78 3.678 0.955 17.308 1.00 0.00 C ATOM 1245 CG ASN A 78 4.672 -0.208 17.318 1.00 0.00 C ATOM 1246 OD1 ASN A 78 4.360 -1.318 17.927 1.00 0.00 O flip ATOM 1247 ND2 ASN A 78 5.748 -0.102 16.765 1.00 0.00 N flip ATOM 0 H ASN A 78 1.948 -1.441 16.543 1.00 0.00 H new ATOM 0 HA ASN A 78 2.201 -0.166 18.427 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.742 1.491 16.361 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.930 1.666 18.095 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.993 0.766 16.288 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.407 -0.881 16.777 1.00 0.00 H new ATOM 1254 N ASP A 79 1.822 2.816 17.627 1.00 0.00 N ATOM 1255 CA ASP A 79 0.968 4.030 17.770 1.00 0.00 C ATOM 1256 C ASP A 79 0.538 4.536 16.392 1.00 0.00 C ATOM 1257 O ASP A 79 -0.245 5.458 16.285 1.00 0.00 O ATOM 1258 CB ASP A 79 1.774 5.119 18.483 1.00 0.00 C ATOM 1259 CG ASP A 79 1.994 4.719 19.944 1.00 0.00 C ATOM 1260 OD1 ASP A 79 1.318 3.810 20.398 1.00 0.00 O ATOM 1261 OD2 ASP A 79 2.834 5.329 20.585 1.00 0.00 O ATOM 0 H ASP A 79 2.818 3.005 17.516 1.00 0.00 H new ATOM 0 HA ASP A 79 0.078 3.782 18.348 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.733 5.261 17.985 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.245 6.070 18.431 1.00 0.00 H new ATOM 1266 N ARG A 80 1.048 3.944 15.336 1.00 0.00 N ATOM 1267 CA ARG A 80 0.677 4.389 13.950 1.00 0.00 C ATOM 1268 C ARG A 80 -0.067 3.268 13.224 1.00 0.00 C ATOM 1269 O ARG A 80 -0.409 2.255 13.804 1.00 0.00 O ATOM 1270 CB ARG A 80 1.945 4.744 13.171 1.00 0.00 C ATOM 1271 CG ARG A 80 2.561 6.017 13.755 1.00 0.00 C ATOM 1272 CD ARG A 80 3.886 6.316 13.053 1.00 0.00 C ATOM 1273 NE ARG A 80 3.641 6.570 11.601 1.00 0.00 N ATOM 1274 CZ ARG A 80 3.340 7.771 11.180 1.00 0.00 C ATOM 1275 NH1 ARG A 80 3.221 8.757 12.028 1.00 0.00 N ATOM 1276 NH2 ARG A 80 3.154 7.984 9.905 1.00 0.00 N ATOM 0 H ARG A 80 1.709 3.168 15.374 1.00 0.00 H new ATOM 0 HA ARG A 80 0.031 5.264 14.017 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.660 3.923 13.225 1.00 0.00 H new ATOM 0 HB3 ARG A 80 1.708 4.892 12.117 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.875 6.855 13.631 1.00 0.00 H new ATOM 0 HG3 ARG A 80 2.725 5.895 14.826 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.362 7.184 13.509 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.571 5.477 13.175 1.00 0.00 H new ATOM 0 HE ARG A 80 3.709 5.802 10.934 1.00 0.00 H new ATOM 0 HH11 ARG A 80 3.363 8.593 13.025 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.986 9.692 11.694 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.244 7.215 9.241 1.00 0.00 H new ATOM 0 HH22 ARG A 80 2.919 8.919 9.573 1.00 0.00 H new ATOM 1290 N PHE A 81 -0.326 3.452 11.952 1.00 0.00 N ATOM 1291 CA PHE A 81 -1.060 2.417 11.158 1.00 0.00 C ATOM 1292 C PHE A 81 -0.305 2.125 9.864 1.00 0.00 C ATOM 1293 O PHE A 81 0.459 2.938 9.384 1.00 0.00 O ATOM 1294 CB PHE A 81 -2.450 2.941 10.810 1.00 0.00 C ATOM 1295 CG PHE A 81 -3.249 3.125 12.075 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -3.794 2.011 12.725 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -3.449 4.408 12.599 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -4.539 2.180 13.897 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -4.193 4.577 13.771 1.00 0.00 C ATOM 1300 CZ PHE A 81 -4.738 3.463 14.420 1.00 0.00 C ATOM 0 H PHE A 81 -0.058 4.283 11.425 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.140 1.504 11.748 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.370 3.888 10.277 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.958 2.242 10.145 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.639 1.021 12.322 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.029 5.267 12.098 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -4.960 1.321 14.398 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -4.347 5.567 14.175 1.00 0.00 H new ATOM 0 HZ PHE A 81 -5.313 3.594 15.325 1.00 0.00 H new ATOM 1310 N GLN A 82 -0.520 0.967 9.294 1.00 0.00 N ATOM 1311 CA GLN A 82 0.178 0.612 8.018 1.00 0.00 C ATOM 1312 C GLN A 82 -0.795 -0.121 7.097 1.00 0.00 C ATOM 1313 O GLN A 82 -1.840 -0.570 7.520 1.00 0.00 O ATOM 1314 CB GLN A 82 1.380 -0.286 8.322 1.00 0.00 C ATOM 1315 CG GLN A 82 0.916 -1.560 9.032 1.00 0.00 C ATOM 1316 CD GLN A 82 2.135 -2.428 9.352 1.00 0.00 C ATOM 1317 OE1 GLN A 82 3.115 -1.945 9.881 1.00 0.00 O ATOM 1318 NE2 GLN A 82 2.116 -3.696 9.048 1.00 0.00 N ATOM 0 H GLN A 82 -1.149 0.250 9.656 1.00 0.00 H new ATOM 0 HA GLN A 82 0.527 1.521 7.527 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.896 -0.543 7.397 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.095 0.249 8.947 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.384 -1.307 9.949 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.219 -2.110 8.400 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.292 -4.102 8.604 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.925 -4.282 9.255 1.00 0.00 H new ATOM 1327 N VAL A 83 -0.460 -0.244 5.836 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.363 -0.949 4.872 1.00 0.00 C ATOM 1329 C VAL A 83 -0.789 -2.330 4.568 1.00 0.00 C ATOM 1330 O VAL A 83 0.387 -2.482 4.303 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.474 -0.129 3.585 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -2.064 1.243 3.915 1.00 0.00 C ATOM 1333 CG2 VAL A 83 -0.089 0.050 2.958 1.00 0.00 C ATOM 0 H VAL A 83 0.404 0.115 5.431 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.356 -1.061 5.306 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.120 -0.651 2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.146 1.833 3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.053 1.117 4.356 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.414 1.758 4.623 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.177 0.635 2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.563 0.570 3.659 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.334 -0.927 2.725 1.00 0.00 H new ATOM 1343 N GLN A 84 -1.615 -3.345 4.626 1.00 0.00 N ATOM 1344 CA GLN A 84 -1.131 -4.737 4.365 1.00 0.00 C ATOM 1345 C GLN A 84 -1.546 -5.176 2.964 1.00 0.00 C ATOM 1346 O GLN A 84 -2.696 -5.081 2.585 1.00 0.00 O ATOM 1347 CB GLN A 84 -1.746 -5.682 5.398 1.00 0.00 C ATOM 1348 CG GLN A 84 -1.162 -5.367 6.775 1.00 0.00 C ATOM 1349 CD GLN A 84 -1.787 -6.288 7.823 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -2.549 -7.174 7.494 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -1.495 -6.111 9.082 1.00 0.00 N ATOM 0 H GLN A 84 -2.609 -3.269 4.844 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.044 -4.764 4.439 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -2.830 -5.567 5.414 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.539 -6.718 5.130 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -0.080 -5.498 6.760 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.353 -4.325 7.032 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.855 -5.366 9.357 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.907 -6.717 9.791 1.00 0.00 H new ATOM 1360 N VAL A 85 -0.609 -5.657 2.192 1.00 0.00 N ATOM 1361 CA VAL A 85 -0.927 -6.109 0.808 1.00 0.00 C ATOM 1362 C VAL A 85 -1.196 -7.612 0.811 1.00 0.00 C ATOM 1363 O VAL A 85 -0.423 -8.392 1.345 1.00 0.00 O ATOM 1364 CB VAL A 85 0.258 -5.808 -0.106 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.138 -6.072 -1.560 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.656 -4.340 0.056 1.00 0.00 C ATOM 0 H VAL A 85 0.369 -5.757 2.463 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.811 -5.583 0.447 1.00 0.00 H new ATOM 0 HB VAL A 85 1.099 -6.448 0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.708 -5.857 -2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.428 -7.116 -1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.977 -5.431 -1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.502 -4.119 -0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.186 -3.703 -0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.936 -4.151 1.092 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.286 -8.018 0.208 1.00 0.00 N ATOM 1377 CA ASN A 86 -2.642 -9.469 0.150 1.00 0.00 C ATOM 1378 C ASN A 86 -3.037 -9.832 -1.283 1.00 0.00 C ATOM 1379 O ASN A 86 -3.078 -8.992 -2.160 1.00 0.00 O ATOM 1380 CB ASN A 86 -3.824 -9.742 1.084 1.00 0.00 C ATOM 1381 CG ASN A 86 -4.944 -8.734 0.817 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -5.198 -8.373 -0.314 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -5.630 -8.260 1.823 1.00 0.00 N ATOM 0 H ASN A 86 -2.952 -7.398 -0.252 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.786 -10.068 0.461 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.192 -10.756 0.931 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.501 -9.673 2.123 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -6.379 -7.587 1.658 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -5.417 -8.563 2.773 1.00 0.00 H new ATOM 1390 N LYS A 87 -3.320 -11.080 -1.526 1.00 0.00 N ATOM 1391 CA LYS A 87 -3.702 -11.514 -2.900 1.00 0.00 C ATOM 1392 C LYS A 87 -4.942 -10.748 -3.360 1.00 0.00 C ATOM 1393 O LYS A 87 -5.078 -10.403 -4.517 1.00 0.00 O ATOM 1394 CB LYS A 87 -4.006 -13.012 -2.887 1.00 0.00 C ATOM 1395 CG LYS A 87 -4.972 -13.333 -1.742 1.00 0.00 C ATOM 1396 CD LYS A 87 -5.246 -14.838 -1.711 1.00 0.00 C ATOM 1397 CE LYS A 87 -6.270 -15.151 -0.618 1.00 0.00 C ATOM 1398 NZ LYS A 87 -5.678 -14.859 0.718 1.00 0.00 N ATOM 0 H LYS A 87 -3.303 -11.824 -0.828 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.880 -11.309 -3.586 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.443 -13.312 -3.839 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.083 -13.579 -2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.546 -13.011 -0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.905 -12.786 -1.875 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -5.620 -15.170 -2.680 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.321 -15.383 -1.523 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.170 -14.554 -0.767 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.569 -16.198 -0.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.259 -15.300 1.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.712 -15.242 0.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.649 -13.830 0.868 1.00 0.00 H new ATOM 1412 N ASN A 88 -5.843 -10.475 -2.464 1.00 0.00 N ATOM 1413 CA ASN A 88 -7.072 -9.729 -2.841 1.00 0.00 C ATOM 1414 C ASN A 88 -6.685 -8.336 -3.343 1.00 0.00 C ATOM 1415 O ASN A 88 -7.278 -7.812 -4.264 1.00 0.00 O ATOM 1416 CB ASN A 88 -7.971 -9.598 -1.610 1.00 0.00 C ATOM 1417 CG ASN A 88 -8.736 -10.904 -1.376 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -9.003 -11.641 -2.304 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -9.104 -11.219 -0.164 1.00 0.00 N ATOM 0 H ASN A 88 -5.781 -10.738 -1.480 1.00 0.00 H new ATOM 0 HA ASN A 88 -7.603 -10.262 -3.629 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.369 -9.358 -0.734 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.673 -8.776 -1.749 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -9.616 -12.085 0.005 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.879 -10.599 0.614 1.00 0.00 H new ATOM 1426 N SER A 89 -5.707 -7.723 -2.736 1.00 0.00 N ATOM 1427 CA SER A 89 -5.303 -6.359 -3.175 1.00 0.00 C ATOM 1428 C SER A 89 -4.639 -6.433 -4.548 1.00 0.00 C ATOM 1429 O SER A 89 -4.214 -7.483 -4.984 1.00 0.00 O ATOM 1430 CB SER A 89 -4.320 -5.765 -2.171 1.00 0.00 C ATOM 1431 OG SER A 89 -3.106 -6.504 -2.209 1.00 0.00 O ATOM 0 H SER A 89 -5.172 -8.107 -1.957 1.00 0.00 H new ATOM 0 HA SER A 89 -6.190 -5.728 -3.234 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.129 -4.718 -2.407 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.745 -5.793 -1.168 1.00 0.00 H new ATOM 0 HG SER A 89 -3.265 -7.373 -2.632 1.00 0.00 H new ATOM 1437 N SER A 90 -4.554 -5.320 -5.234 1.00 0.00 N ATOM 1438 CA SER A 90 -3.926 -5.304 -6.591 1.00 0.00 C ATOM 1439 C SER A 90 -2.901 -4.175 -6.670 1.00 0.00 C ATOM 1440 O SER A 90 -3.010 -3.172 -5.991 1.00 0.00 O ATOM 1441 CB SER A 90 -5.009 -5.077 -7.642 1.00 0.00 C ATOM 1442 OG SER A 90 -5.876 -6.202 -7.668 1.00 0.00 O ATOM 0 H SER A 90 -4.895 -4.415 -4.909 1.00 0.00 H new ATOM 0 HA SER A 90 -3.428 -6.257 -6.772 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.573 -4.173 -7.411 1.00 0.00 H new ATOM 0 HB3 SER A 90 -4.556 -4.929 -8.622 1.00 0.00 H new ATOM 0 HG SER A 90 -6.575 -6.061 -8.340 1.00 0.00 H new ATOM 1448 N ILE A 91 -1.905 -4.341 -7.501 1.00 0.00 N ATOM 1449 CA ILE A 91 -0.845 -3.299 -7.659 1.00 0.00 C ATOM 1450 C ILE A 91 -0.703 -2.950 -9.135 1.00 0.00 C ATOM 1451 O ILE A 91 -0.613 -3.821 -9.976 1.00 0.00 O ATOM 1452 CB ILE A 91 0.480 -3.853 -7.141 1.00 0.00 C ATOM 1453 CG1 ILE A 91 0.364 -4.096 -5.636 1.00 0.00 C ATOM 1454 CG2 ILE A 91 1.598 -2.847 -7.418 1.00 0.00 C ATOM 1455 CD1 ILE A 91 1.576 -4.889 -5.144 1.00 0.00 C ATOM 0 H ILE A 91 -1.779 -5.167 -8.086 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.116 -2.406 -7.096 1.00 0.00 H new ATOM 0 HB ILE A 91 0.711 -4.791 -7.646 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.302 -3.144 -5.108 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.553 -4.642 -5.416 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.544 -3.243 -7.048 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.673 -2.673 -8.491 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.375 -1.907 -6.912 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.488 -5.059 -4.071 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.618 -5.847 -5.661 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.487 -4.326 -5.349 1.00 0.00 H new ATOM 1467 N GLU A 92 -0.684 -1.679 -9.459 1.00 0.00 N ATOM 1468 CA GLU A 92 -0.548 -1.267 -10.893 1.00 0.00 C ATOM 1469 C GLU A 92 0.578 -0.241 -11.024 1.00 0.00 C ATOM 1470 O GLU A 92 0.709 0.658 -10.219 1.00 0.00 O ATOM 1471 CB GLU A 92 -1.861 -0.643 -11.363 1.00 0.00 C ATOM 1472 CG GLU A 92 -2.998 -1.646 -11.171 1.00 0.00 C ATOM 1473 CD GLU A 92 -2.755 -2.885 -12.040 1.00 0.00 C ATOM 1474 OE1 GLU A 92 -1.985 -2.785 -12.981 1.00 0.00 O ATOM 1475 OE2 GLU A 92 -3.339 -3.914 -11.744 1.00 0.00 O ATOM 0 H GLU A 92 -0.757 -0.910 -8.793 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.316 -2.139 -11.504 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.066 0.267 -10.800 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.786 -0.358 -12.413 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.066 -1.935 -10.122 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.949 -1.185 -11.437 1.00 0.00 H new ATOM 1482 N LYS A 93 1.391 -0.374 -12.036 1.00 0.00 N ATOM 1483 CA LYS A 93 2.510 0.589 -12.227 1.00 0.00 C ATOM 1484 C LYS A 93 1.970 1.874 -12.847 1.00 0.00 C ATOM 1485 O LYS A 93 1.261 1.846 -13.832 1.00 0.00 O ATOM 1486 CB LYS A 93 3.558 -0.028 -13.154 1.00 0.00 C ATOM 1487 CG LYS A 93 4.749 0.922 -13.279 1.00 0.00 C ATOM 1488 CD LYS A 93 5.835 0.274 -14.139 1.00 0.00 C ATOM 1489 CE LYS A 93 7.030 1.223 -14.247 1.00 0.00 C ATOM 1490 NZ LYS A 93 8.100 0.587 -15.066 1.00 0.00 N ATOM 0 H LYS A 93 1.328 -1.110 -12.740 1.00 0.00 H new ATOM 0 HA LYS A 93 2.968 0.816 -11.264 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.886 -0.990 -12.760 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.125 -0.216 -14.136 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.430 1.864 -13.726 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.145 1.156 -12.291 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.147 -0.673 -13.698 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.443 0.050 -15.131 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.720 2.164 -14.702 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.411 1.460 -13.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.912 1.233 -15.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.402 -0.300 -14.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.734 0.383 -16.018 1.00 0.00 H new ATOM 1504 N LEU A 94 2.295 3.002 -12.271 1.00 0.00 N ATOM 1505 CA LEU A 94 1.795 4.300 -12.814 1.00 0.00 C ATOM 1506 C LEU A 94 2.915 4.998 -13.584 1.00 0.00 C ATOM 1507 O LEU A 94 4.049 5.048 -13.152 1.00 0.00 O ATOM 1508 CB LEU A 94 1.347 5.183 -11.653 1.00 0.00 C ATOM 1509 CG LEU A 94 0.373 4.403 -10.760 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -0.070 5.289 -9.587 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -0.853 3.963 -11.578 1.00 0.00 C ATOM 0 H LEU A 94 2.888 3.080 -11.445 1.00 0.00 H new ATOM 0 HA LEU A 94 0.956 4.120 -13.486 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.212 5.504 -11.072 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.866 6.084 -12.033 1.00 0.00 H new ATOM 0 HG LEU A 94 0.873 3.516 -10.372 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.762 4.734 -8.953 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.802 5.582 -9.003 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.565 6.181 -9.971 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.539 3.410 -10.936 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.359 4.842 -11.977 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.531 3.324 -12.401 1.00 0.00 H new ATOM 1523 N SER A 95 2.596 5.536 -14.726 1.00 0.00 N ATOM 1524 CA SER A 95 3.620 6.239 -15.540 1.00 0.00 C ATOM 1525 C SER A 95 3.795 7.654 -14.999 1.00 0.00 C ATOM 1526 O SER A 95 4.646 8.395 -15.446 1.00 0.00 O ATOM 1527 CB SER A 95 3.144 6.308 -16.989 1.00 0.00 C ATOM 1528 OG SER A 95 3.069 4.992 -17.520 1.00 0.00 O ATOM 0 H SER A 95 1.661 5.518 -15.133 1.00 0.00 H new ATOM 0 HA SER A 95 4.569 5.704 -15.491 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.168 6.790 -17.041 1.00 0.00 H new ATOM 0 HB3 SER A 95 3.830 6.913 -17.581 1.00 0.00 H new ATOM 0 HG SER A 95 2.762 5.031 -18.450 1.00 0.00 H new ATOM 1534 N GLU A 96 2.984 8.035 -14.039 1.00 0.00 N ATOM 1535 CA GLU A 96 3.081 9.410 -13.454 1.00 0.00 C ATOM 1536 C GLU A 96 3.556 9.310 -11.986 1.00 0.00 C ATOM 1537 O GLU A 96 2.882 8.723 -11.163 1.00 0.00 O ATOM 1538 CB GLU A 96 1.698 10.073 -13.495 1.00 0.00 C ATOM 1539 CG GLU A 96 0.614 9.036 -13.211 1.00 0.00 C ATOM 1540 CD GLU A 96 -0.737 9.743 -13.105 1.00 0.00 C ATOM 1541 OE1 GLU A 96 -0.879 10.575 -12.223 1.00 0.00 O ATOM 1542 OE2 GLU A 96 -1.603 9.447 -13.910 1.00 0.00 O ATOM 0 H GLU A 96 2.255 7.448 -13.634 1.00 0.00 H new ATOM 0 HA GLU A 96 3.792 10.004 -14.028 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.648 10.875 -12.758 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.532 10.527 -14.472 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.588 8.292 -14.007 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.835 8.505 -12.285 1.00 0.00 H new ATOM 1549 N PRO A 97 4.701 9.871 -11.646 1.00 0.00 N ATOM 1550 CA PRO A 97 5.223 9.817 -10.250 1.00 0.00 C ATOM 1551 C PRO A 97 4.472 10.777 -9.319 1.00 0.00 C ATOM 1552 O PRO A 97 3.781 11.671 -9.763 1.00 0.00 O ATOM 1553 CB PRO A 97 6.700 10.212 -10.392 1.00 0.00 C ATOM 1554 CG PRO A 97 6.760 11.074 -11.615 1.00 0.00 C ATOM 1555 CD PRO A 97 5.621 10.614 -12.536 1.00 0.00 C ATOM 0 HA PRO A 97 5.092 8.833 -9.799 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.050 10.752 -9.512 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.334 9.332 -10.499 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.645 12.126 -11.353 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.725 10.973 -12.113 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.122 11.463 -13.004 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.993 9.980 -13.341 1.00 0.00 H new ATOM 1563 N ILE A 98 4.597 10.594 -8.031 1.00 0.00 N ATOM 1564 CA ILE A 98 3.884 11.493 -7.075 1.00 0.00 C ATOM 1565 C ILE A 98 4.803 12.646 -6.685 1.00 0.00 C ATOM 1566 O ILE A 98 5.923 12.447 -6.261 1.00 0.00 O ATOM 1567 CB ILE A 98 3.500 10.706 -5.823 1.00 0.00 C ATOM 1568 CG1 ILE A 98 2.856 9.376 -6.228 1.00 0.00 C ATOM 1569 CG2 ILE A 98 2.514 11.524 -4.990 1.00 0.00 C ATOM 1570 CD1 ILE A 98 1.724 9.621 -7.232 1.00 0.00 C ATOM 0 H ILE A 98 5.161 9.862 -7.600 1.00 0.00 H new ATOM 0 HA ILE A 98 2.984 11.885 -7.548 1.00 0.00 H new ATOM 0 HB ILE A 98 4.394 10.506 -5.232 1.00 0.00 H new ATOM 0 HG12 ILE A 98 3.606 8.719 -6.668 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.466 8.869 -5.346 1.00 0.00 H new ATOM 0 HG21 ILE A 98 2.240 10.963 -4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 98 2.978 12.466 -4.699 1.00 0.00 H new ATOM 0 HG23 ILE A 98 1.620 11.727 -5.580 1.00 0.00 H new ATOM 0 HD11 ILE A 98 1.274 8.669 -7.512 1.00 0.00 H new ATOM 0 HD12 ILE A 98 0.967 10.260 -6.778 1.00 0.00 H new ATOM 0 HD13 ILE A 98 2.125 10.108 -8.121 1.00 0.00 H new