USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 693 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 Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0909 USER MOD Single : A 12 HIS : no HE2:sc= -2.34 K(o=-2.3,f=-6.5!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -132:sc= -0.94 (180deg=-5.18!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 174:sc=-0.000192 (180deg=-0.0505) USER MOD Single : A 32 GLN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 33 ASN : amide:sc= 0.817 K(o=0.82,f=-5.7!) USER MOD Single : A 44 THR OG1 : rot 140:sc= 0.152 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 4:sc= 0.301 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -80:sc= -0.43 USER MOD Single : A 66 LYS NZ :NH3+ 179:sc= -0.0898 (180deg=-0.094) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0139 USER MOD Single : A 72 TYR OH : rot -1:sc= 0.57 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0177 USER MOD Single : A 84 LYS NZ :NH3+ -124:sc= 1.22 (180deg=0.000647) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 3 9.503 0.160 -7.422 1.00 0.00 N ATOM 29 CA LEU A 3 8.109 -0.231 -7.529 1.00 0.00 C ATOM 30 C LEU A 3 7.293 1.022 -7.252 1.00 0.00 C ATOM 31 O LEU A 3 6.900 1.291 -6.116 1.00 0.00 O ATOM 32 CB LEU A 3 7.811 -1.399 -6.566 1.00 0.00 C ATOM 33 CG LEU A 3 8.597 -2.686 -6.900 1.00 0.00 C ATOM 34 CD1 LEU A 3 8.625 -3.660 -5.720 1.00 0.00 C ATOM 35 CD2 LEU A 3 8.036 -3.399 -8.134 1.00 0.00 C ATOM 0 HA LEU A 3 7.850 -0.609 -8.518 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.049 -1.091 -5.548 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.743 -1.617 -6.591 1.00 0.00 H new ATOM 0 HG LEU A 3 9.616 -2.366 -7.116 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.188 -4.551 -5.997 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.102 -3.182 -4.865 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.606 -3.942 -5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.620 -4.298 -8.331 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.996 -3.673 -7.955 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.092 -2.734 -8.996 1.00 0.00 H new ATOM 47 N VAL A 4 7.090 1.825 -8.289 1.00 0.00 N ATOM 48 CA VAL A 4 6.389 3.100 -8.250 1.00 0.00 C ATOM 49 C VAL A 4 5.059 2.913 -8.995 1.00 0.00 C ATOM 50 O VAL A 4 4.671 3.701 -9.861 1.00 0.00 O ATOM 51 CB VAL A 4 7.313 4.209 -8.800 1.00 0.00 C ATOM 52 CG1 VAL A 4 6.672 5.605 -8.724 1.00 0.00 C ATOM 53 CG2 VAL A 4 8.638 4.262 -8.011 1.00 0.00 C ATOM 0 H VAL A 4 7.426 1.593 -9.224 1.00 0.00 H new ATOM 0 HA VAL A 4 6.140 3.426 -7.240 1.00 0.00 H new ATOM 0 HB VAL A 4 7.491 3.954 -9.845 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.365 6.346 -9.124 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.752 5.615 -9.309 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.444 5.845 -7.685 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.272 5.050 -8.417 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.429 4.469 -6.962 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.151 3.304 -8.097 1.00 0.00 H new ATOM 63 N LEU A 5 4.336 1.845 -8.671 1.00 0.00 N ATOM 64 CA LEU A 5 2.976 1.635 -9.124 1.00 0.00 C ATOM 65 C LEU A 5 2.304 0.590 -8.246 1.00 0.00 C ATOM 66 O LEU A 5 2.716 -0.566 -8.214 1.00 0.00 O ATOM 67 CB LEU A 5 2.910 1.222 -10.602 1.00 0.00 C ATOM 68 CG LEU A 5 3.902 0.110 -11.021 1.00 0.00 C ATOM 69 CD1 LEU A 5 3.173 -1.033 -11.735 1.00 0.00 C ATOM 70 CD2 LEU A 5 4.993 0.676 -11.935 1.00 0.00 C ATOM 0 H LEU A 5 4.689 1.094 -8.078 1.00 0.00 H new ATOM 0 HA LEU A 5 2.445 2.583 -9.039 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.897 0.885 -10.824 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.095 2.102 -11.217 1.00 0.00 H new ATOM 0 HG LEU A 5 4.365 -0.281 -10.115 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.892 -1.802 -12.019 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.427 -1.463 -11.066 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.681 -0.649 -12.628 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.680 -0.121 -12.218 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.535 1.096 -12.831 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.541 1.457 -11.407 1.00 0.00 H new ATOM 82 N VAL A 6 1.222 0.972 -7.575 1.00 0.00 N ATOM 83 CA VAL A 6 0.450 0.091 -6.704 1.00 0.00 C ATOM 84 C VAL A 6 -1.026 0.135 -7.115 1.00 0.00 C ATOM 85 O VAL A 6 -1.933 0.209 -6.294 1.00 0.00 O ATOM 86 CB VAL A 6 0.774 0.416 -5.234 1.00 0.00 C ATOM 87 CG1 VAL A 6 0.573 1.899 -4.905 1.00 0.00 C ATOM 88 CG2 VAL A 6 0.016 -0.461 -4.236 1.00 0.00 C ATOM 0 H VAL A 6 0.850 1.920 -7.622 1.00 0.00 H new ATOM 0 HA VAL A 6 0.728 -0.957 -6.816 1.00 0.00 H new ATOM 0 HB VAL A 6 1.833 0.184 -5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.815 2.075 -3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.226 2.503 -5.535 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.465 2.175 -5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.292 -0.178 -3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.057 -0.324 -4.372 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.272 -1.507 -4.403 1.00 0.00 H new ATOM 98 N LYS A 7 -1.300 0.111 -8.418 1.00 0.00 N ATOM 99 CA LYS A 7 -2.665 0.167 -8.924 1.00 0.00 C ATOM 100 C LYS A 7 -2.978 -1.042 -9.806 1.00 0.00 C ATOM 101 O LYS A 7 -3.824 -0.943 -10.686 1.00 0.00 O ATOM 102 CB LYS A 7 -2.882 1.528 -9.610 1.00 0.00 C ATOM 103 CG LYS A 7 -2.007 1.863 -10.831 1.00 0.00 C ATOM 104 CD LYS A 7 -2.794 1.745 -12.140 1.00 0.00 C ATOM 105 CE LYS A 7 -2.058 2.454 -13.273 1.00 0.00 C ATOM 106 NZ LYS A 7 -2.841 2.412 -14.523 1.00 0.00 N ATOM 0 H LYS A 7 -0.587 0.053 -9.145 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.382 0.100 -8.106 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.925 1.584 -9.920 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.729 2.308 -8.864 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.615 2.875 -10.732 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.149 1.191 -10.860 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.936 0.694 -12.392 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.786 2.179 -12.015 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.867 3.490 -12.994 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.088 1.983 -13.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.318 2.901 -15.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.002 1.422 -14.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.756 2.883 -14.375 1.00 0.00 H new ATOM 120 N TYR A 8 -2.474 -2.233 -9.473 1.00 0.00 N ATOM 121 CA TYR A 8 -2.859 -3.482 -10.147 1.00 0.00 C ATOM 122 C TYR A 8 -2.841 -4.636 -9.135 1.00 0.00 C ATOM 123 O TYR A 8 -2.517 -5.777 -9.465 1.00 0.00 O ATOM 124 CB TYR A 8 -1.875 -3.716 -11.324 1.00 0.00 C ATOM 125 CG TYR A 8 -2.492 -4.160 -12.643 1.00 0.00 C ATOM 126 CD1 TYR A 8 -3.330 -5.289 -12.717 1.00 0.00 C ATOM 127 CD2 TYR A 8 -2.195 -3.448 -13.821 1.00 0.00 C ATOM 128 CE1 TYR A 8 -3.854 -5.704 -13.955 1.00 0.00 C ATOM 129 CE2 TYR A 8 -2.744 -3.829 -15.056 1.00 0.00 C ATOM 130 CZ TYR A 8 -3.563 -4.979 -15.131 1.00 0.00 C ATOM 131 OH TYR A 8 -4.038 -5.409 -16.331 1.00 0.00 O ATOM 0 H TYR A 8 -1.788 -2.362 -8.729 1.00 0.00 H new ATOM 0 HA TYR A 8 -3.871 -3.423 -10.548 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -1.325 -2.791 -11.498 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.147 -4.467 -11.017 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -3.572 -5.839 -11.819 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -1.534 -2.595 -13.774 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -4.482 -6.581 -14.006 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.542 -3.247 -15.943 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.747 -4.795 -17.037 1.00 0.00 H new ATOM 141 N GLY A 9 -3.267 -4.356 -7.900 1.00 0.00 N ATOM 142 CA GLY A 9 -3.091 -5.261 -6.778 1.00 0.00 C ATOM 143 C GLY A 9 -1.602 -5.497 -6.585 1.00 0.00 C ATOM 144 O GLY A 9 -0.862 -4.631 -6.110 1.00 0.00 O ATOM 0 H GLY A 9 -3.745 -3.489 -7.657 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.528 -4.836 -5.875 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.604 -6.204 -6.967 1.00 0.00 H new ATOM 148 N THR A 10 -1.167 -6.666 -6.998 1.00 0.00 N ATOM 149 CA THR A 10 -0.068 -7.390 -6.370 1.00 0.00 C ATOM 150 C THR A 10 1.331 -7.060 -6.931 1.00 0.00 C ATOM 151 O THR A 10 2.206 -7.924 -6.961 1.00 0.00 O ATOM 152 CB THR A 10 -0.395 -8.901 -6.377 1.00 0.00 C ATOM 153 OG1 THR A 10 -1.325 -9.212 -7.406 1.00 0.00 O ATOM 154 CG2 THR A 10 -0.988 -9.334 -5.029 1.00 0.00 C ATOM 0 H THR A 10 -1.571 -7.156 -7.796 1.00 0.00 H new ATOM 0 HA THR A 10 0.008 -7.045 -5.339 1.00 0.00 H new ATOM 0 HB THR A 10 0.537 -9.437 -6.556 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.517 -10.173 -7.394 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.211 -10.401 -5.055 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.270 -9.133 -4.234 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.905 -8.776 -4.839 1.00 0.00 H new ATOM 162 N ASP A 11 1.631 -5.798 -7.257 1.00 0.00 N ATOM 163 CA ASP A 11 2.888 -5.461 -7.949 1.00 0.00 C ATOM 164 C ASP A 11 3.727 -4.420 -7.186 1.00 0.00 C ATOM 165 O ASP A 11 4.325 -3.525 -7.784 1.00 0.00 O ATOM 166 CB ASP A 11 2.553 -5.040 -9.390 1.00 0.00 C ATOM 167 CG ASP A 11 3.728 -5.080 -10.373 1.00 0.00 C ATOM 168 OD1 ASP A 11 4.892 -5.388 -10.018 1.00 0.00 O ATOM 169 OD2 ASP A 11 3.475 -4.864 -11.575 1.00 0.00 O ATOM 0 H ASP A 11 1.030 -4.998 -7.057 1.00 0.00 H new ATOM 0 HA ASP A 11 3.530 -6.341 -7.984 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.763 -5.690 -9.767 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.151 -4.027 -9.371 1.00 0.00 H new ATOM 174 N HIS A 12 3.769 -4.527 -5.850 1.00 0.00 N ATOM 175 CA HIS A 12 4.567 -3.669 -4.959 1.00 0.00 C ATOM 176 C HIS A 12 4.741 -4.340 -3.588 1.00 0.00 C ATOM 177 O HIS A 12 4.076 -5.341 -3.334 1.00 0.00 O ATOM 178 CB HIS A 12 3.920 -2.266 -4.877 1.00 0.00 C ATOM 179 CG HIS A 12 3.040 -2.041 -3.674 1.00 0.00 C ATOM 180 ND1 HIS A 12 2.189 -2.959 -3.104 1.00 0.00 N ATOM 181 CD2 HIS A 12 3.034 -0.929 -2.874 1.00 0.00 C ATOM 182 CE1 HIS A 12 1.703 -2.422 -1.980 1.00 0.00 C ATOM 183 NE2 HIS A 12 2.177 -1.182 -1.805 1.00 0.00 N ATOM 0 H HIS A 12 3.234 -5.233 -5.344 1.00 0.00 H new ATOM 0 HA HIS A 12 5.571 -3.535 -5.362 1.00 0.00 H new ATOM 0 HB2 HIS A 12 4.712 -1.517 -4.875 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.328 -2.102 -5.777 1.00 0.00 H new ATOM 0 HD1 HIS A 12 1.968 -3.884 -3.473 1.00 0.00 H new ATOM 0 HD2 HIS A 12 3.593 -0.020 -3.042 1.00 0.00 H new ATOM 0 HE1 HIS A 12 1.022 -2.920 -1.306 1.00 0.00 H new ATOM 191 N PRO A 13 5.626 -3.867 -2.699 1.00 0.00 N ATOM 192 CA PRO A 13 5.834 -4.490 -1.397 1.00 0.00 C ATOM 193 C PRO A 13 4.744 -4.133 -0.406 1.00 0.00 C ATOM 194 O PRO A 13 4.064 -3.155 -0.602 1.00 0.00 O ATOM 195 CB PRO A 13 7.156 -3.918 -0.915 1.00 0.00 C ATOM 196 CG PRO A 13 7.248 -2.540 -1.558 1.00 0.00 C ATOM 197 CD PRO A 13 6.426 -2.663 -2.834 1.00 0.00 C ATOM 0 HA PRO A 13 5.825 -5.577 -1.479 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.183 -3.849 0.172 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.992 -4.550 -1.215 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.849 -1.767 -0.901 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.282 -2.271 -1.775 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.790 -1.789 -2.971 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.074 -2.725 -3.708 1.00 0.00 H new ATOM 205 N VAL A 14 4.658 -4.900 0.680 1.00 0.00 N ATOM 206 CA VAL A 14 3.873 -4.771 1.898 1.00 0.00 C ATOM 207 C VAL A 14 3.940 -6.152 2.530 1.00 0.00 C ATOM 208 O VAL A 14 4.435 -6.311 3.639 1.00 0.00 O ATOM 209 CB VAL A 14 2.447 -4.215 1.617 1.00 0.00 C ATOM 210 CG1 VAL A 14 1.350 -4.719 2.559 1.00 0.00 C ATOM 211 CG2 VAL A 14 2.428 -2.678 1.663 1.00 0.00 C ATOM 0 H VAL A 14 5.222 -5.748 0.726 1.00 0.00 H new ATOM 0 HA VAL A 14 4.259 -4.029 2.597 1.00 0.00 H new ATOM 0 HB VAL A 14 2.220 -4.593 0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.396 -4.273 2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.278 -5.804 2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.594 -4.440 3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.418 -2.320 1.463 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.744 -2.340 2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.109 -2.283 0.909 1.00 0.00 H new ATOM 221 N GLU A 15 3.607 -7.184 1.761 1.00 0.00 N ATOM 222 CA GLU A 15 3.336 -8.527 2.283 1.00 0.00 C ATOM 223 C GLU A 15 3.703 -9.580 1.244 1.00 0.00 C ATOM 224 O GLU A 15 3.125 -10.652 1.222 1.00 0.00 O ATOM 225 CB GLU A 15 1.889 -8.585 2.832 1.00 0.00 C ATOM 226 CG GLU A 15 1.911 -8.000 4.263 1.00 0.00 C ATOM 227 CD GLU A 15 0.830 -8.476 5.226 1.00 0.00 C ATOM 228 OE1 GLU A 15 0.030 -9.376 4.899 1.00 0.00 O ATOM 229 OE2 GLU A 15 0.793 -7.898 6.339 1.00 0.00 O ATOM 0 H GLU A 15 3.516 -7.115 0.747 1.00 0.00 H new ATOM 0 HA GLU A 15 3.972 -8.762 3.137 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.214 -8.014 2.195 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.524 -9.612 2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.881 -8.226 4.706 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.841 -6.915 4.186 1.00 0.00 H new ATOM 236 N LYS A 16 4.721 -9.295 0.417 1.00 0.00 N ATOM 237 CA LYS A 16 5.495 -10.292 -0.330 1.00 0.00 C ATOM 238 C LYS A 16 6.690 -9.645 -0.994 1.00 0.00 C ATOM 239 O LYS A 16 7.818 -9.913 -0.604 1.00 0.00 O ATOM 240 CB LYS A 16 4.633 -10.993 -1.386 1.00 0.00 C ATOM 241 CG LYS A 16 5.215 -12.355 -1.778 1.00 0.00 C ATOM 242 CD LYS A 16 4.913 -13.416 -0.704 1.00 0.00 C ATOM 243 CE LYS A 16 5.309 -14.811 -1.197 1.00 0.00 C ATOM 244 NZ LYS A 16 4.131 -15.661 -1.475 1.00 0.00 N ATOM 0 H LYS A 16 5.035 -8.339 0.247 1.00 0.00 H new ATOM 0 HA LYS A 16 5.841 -11.041 0.383 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.622 -11.126 -1.001 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.556 -10.361 -2.271 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.797 -12.671 -2.734 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.293 -12.268 -1.915 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.457 -13.180 0.211 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.851 -13.399 -0.457 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.909 -14.718 -2.102 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.935 -15.295 -0.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.447 -16.595 -1.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.571 -15.773 -0.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.546 -15.214 -2.209 1.00 0.00 H new ATOM 258 N LEU A 17 6.471 -8.688 -1.894 1.00 0.00 N ATOM 259 CA LEU A 17 7.559 -7.919 -2.499 1.00 0.00 C ATOM 260 C LEU A 17 8.406 -7.213 -1.434 1.00 0.00 C ATOM 261 O LEU A 17 9.588 -6.976 -1.645 1.00 0.00 O ATOM 262 CB LEU A 17 6.984 -6.915 -3.528 1.00 0.00 C ATOM 263 CG LEU A 17 7.327 -7.199 -4.992 1.00 0.00 C ATOM 264 CD1 LEU A 17 8.845 -7.201 -5.203 1.00 0.00 C ATOM 265 CD2 LEU A 17 6.656 -8.501 -5.425 1.00 0.00 C ATOM 0 H LEU A 17 5.542 -8.425 -2.223 1.00 0.00 H new ATOM 0 HA LEU A 17 8.223 -8.607 -3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.899 -6.898 -3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.344 -5.918 -3.276 1.00 0.00 H new ATOM 0 HG LEU A 17 6.938 -6.404 -5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.066 -7.405 -6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.252 -6.228 -4.929 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.298 -7.972 -4.580 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.899 -8.706 -6.468 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.014 -9.320 -4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.576 -8.407 -5.315 1.00 0.00 H new ATOM 277 N LYS A 18 7.839 -6.941 -0.251 1.00 0.00 N ATOM 278 CA LYS A 18 8.558 -6.354 0.880 1.00 0.00 C ATOM 279 C LYS A 18 9.661 -7.299 1.358 1.00 0.00 C ATOM 280 O LYS A 18 10.703 -6.867 1.814 1.00 0.00 O ATOM 281 CB LYS A 18 7.560 -5.989 1.994 1.00 0.00 C ATOM 282 CG LYS A 18 7.644 -6.733 3.324 1.00 0.00 C ATOM 283 CD LYS A 18 6.987 -8.122 3.275 1.00 0.00 C ATOM 284 CE LYS A 18 6.947 -8.520 4.730 1.00 0.00 C ATOM 285 NZ LYS A 18 6.722 -9.932 5.087 1.00 0.00 N ATOM 0 H LYS A 18 6.856 -7.126 -0.053 1.00 0.00 H new ATOM 0 HA LYS A 18 9.051 -5.433 0.570 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.672 -4.925 2.203 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.555 -6.132 1.598 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.691 -6.842 3.608 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.163 -6.136 4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.989 -8.083 2.838 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.569 -8.825 2.679 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.893 -8.216 5.179 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.163 -7.933 5.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.986 -9.992 5.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.415 -10.458 4.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.606 -10.344 5.449 1.00 0.00 H new ATOM 299 N ILE A 19 9.437 -8.603 1.256 1.00 0.00 N ATOM 300 CA ILE A 19 10.349 -9.621 1.737 1.00 0.00 C ATOM 301 C ILE A 19 11.545 -9.674 0.778 1.00 0.00 C ATOM 302 O ILE A 19 12.648 -10.044 1.173 1.00 0.00 O ATOM 303 CB ILE A 19 9.546 -10.935 1.910 1.00 0.00 C ATOM 304 CG1 ILE A 19 9.336 -11.205 3.407 1.00 0.00 C ATOM 305 CG2 ILE A 19 10.084 -12.164 1.168 1.00 0.00 C ATOM 306 CD1 ILE A 19 8.335 -12.338 3.617 1.00 0.00 C ATOM 0 H ILE A 19 8.595 -8.986 0.826 1.00 0.00 H new ATOM 0 HA ILE A 19 10.776 -9.412 2.718 1.00 0.00 H new ATOM 0 HB ILE A 19 8.590 -10.766 1.415 1.00 0.00 H new ATOM 0 HG12 ILE A 19 10.288 -11.463 3.872 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.977 -10.300 3.898 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.439 -13.020 1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.102 -11.963 0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.094 -12.384 1.513 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.201 -12.512 4.685 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.378 -12.066 3.171 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.709 -13.246 3.145 1.00 0.00 H new ATOM 318 N ARG A 20 11.324 -9.266 -0.479 1.00 0.00 N ATOM 319 CA ARG A 20 12.367 -9.041 -1.470 1.00 0.00 C ATOM 320 C ARG A 20 13.005 -7.645 -1.363 1.00 0.00 C ATOM 321 O ARG A 20 14.114 -7.459 -1.878 1.00 0.00 O ATOM 322 CB ARG A 20 11.772 -9.242 -2.874 1.00 0.00 C ATOM 323 CG ARG A 20 11.317 -10.689 -3.148 1.00 0.00 C ATOM 324 CD ARG A 20 9.818 -10.886 -3.357 1.00 0.00 C ATOM 325 NE ARG A 20 9.534 -12.147 -4.066 1.00 0.00 N ATOM 326 CZ ARG A 20 8.887 -12.259 -5.234 1.00 0.00 C ATOM 327 NH1 ARG A 20 8.699 -11.207 -6.020 1.00 0.00 N ATOM 328 NH2 ARG A 20 8.410 -13.432 -5.630 1.00 0.00 N ATOM 0 H ARG A 20 10.387 -9.080 -0.837 1.00 0.00 H new ATOM 0 HA ARG A 20 13.164 -9.761 -1.282 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.921 -8.572 -2.999 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.514 -8.956 -3.619 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.839 -11.052 -4.033 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.633 -11.314 -2.313 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.312 -10.888 -2.392 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.415 -10.048 -3.926 1.00 0.00 H new ATOM 0 HE ARG A 20 9.858 -13.010 -3.629 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.050 -10.291 -5.739 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.204 -11.314 -6.905 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.535 -14.257 -5.044 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.919 -13.508 -6.521 1.00 0.00 H new ATOM 342 N SER A 21 12.320 -6.657 -0.776 1.00 0.00 N ATOM 343 CA SER A 21 12.695 -5.248 -0.822 1.00 0.00 C ATOM 344 C SER A 21 11.863 -4.432 0.186 1.00 0.00 C ATOM 345 O SER A 21 10.939 -3.709 -0.192 1.00 0.00 O ATOM 346 CB SER A 21 12.507 -4.751 -2.269 1.00 0.00 C ATOM 347 OG SER A 21 13.010 -3.446 -2.450 1.00 0.00 O ATOM 0 H SER A 21 11.467 -6.825 -0.243 1.00 0.00 H new ATOM 0 HA SER A 21 13.738 -5.119 -0.535 1.00 0.00 H new ATOM 0 HB2 SER A 21 13.011 -5.432 -2.954 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.447 -4.769 -2.524 1.00 0.00 H new ATOM 0 HG SER A 21 12.873 -3.169 -3.380 1.00 0.00 H new ATOM 353 N ALA A 22 12.176 -4.530 1.478 1.00 0.00 N ATOM 354 CA ALA A 22 11.718 -3.637 2.543 1.00 0.00 C ATOM 355 C ALA A 22 12.665 -3.737 3.722 1.00 0.00 C ATOM 356 O ALA A 22 13.624 -4.511 3.717 1.00 0.00 O ATOM 357 CB ALA A 22 10.267 -3.932 3.002 1.00 0.00 C ATOM 0 H ALA A 22 12.785 -5.270 1.827 1.00 0.00 H new ATOM 0 HA ALA A 22 11.716 -2.625 2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.987 -3.236 3.793 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.587 -3.814 2.158 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.205 -4.953 3.378 1.00 0.00 H new ATOM 363 N LYS A 23 12.362 -2.949 4.743 1.00 0.00 N ATOM 364 CA LYS A 23 12.771 -3.154 6.114 1.00 0.00 C ATOM 365 C LYS A 23 11.637 -2.625 6.973 1.00 0.00 C ATOM 366 O LYS A 23 10.634 -2.126 6.455 1.00 0.00 O ATOM 367 CB LYS A 23 14.103 -2.436 6.389 1.00 0.00 C ATOM 368 CG LYS A 23 15.111 -3.277 7.180 1.00 0.00 C ATOM 369 CD LYS A 23 15.772 -4.333 6.281 1.00 0.00 C ATOM 370 CE LYS A 23 16.840 -3.751 5.352 1.00 0.00 C ATOM 371 NZ LYS A 23 18.083 -3.362 6.057 1.00 0.00 N ATOM 0 H LYS A 23 11.796 -2.109 4.626 1.00 0.00 H new ATOM 0 HA LYS A 23 12.951 -4.205 6.338 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.552 -2.148 5.438 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.902 -1.516 6.938 1.00 0.00 H new ATOM 0 HG2 LYS A 23 15.875 -2.628 7.607 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.607 -3.767 8.013 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.224 -5.102 6.907 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.005 -4.821 5.681 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.081 -4.485 4.583 1.00 0.00 H new ATOM 0 HE3 LYS A 23 16.432 -2.878 4.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.764 -2.976 5.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.865 -2.640 6.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 18.494 -4.197 6.521 1.00 0.00 H new ATOM 385 N ALA A 24 11.835 -2.654 8.281 1.00 0.00 N ATOM 386 CA ALA A 24 10.883 -2.065 9.218 1.00 0.00 C ATOM 387 C ALA A 24 10.783 -0.547 9.040 1.00 0.00 C ATOM 388 O ALA A 24 9.886 0.108 9.572 1.00 0.00 O ATOM 389 CB ALA A 24 11.297 -2.367 10.661 1.00 0.00 C ATOM 0 H ALA A 24 12.649 -3.081 8.723 1.00 0.00 H new ATOM 0 HA ALA A 24 9.909 -2.508 9.009 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.577 -1.921 11.347 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.323 -3.446 10.814 1.00 0.00 H new ATOM 0 HB3 ALA A 24 12.286 -1.949 10.851 1.00 0.00 H new ATOM 395 N GLU A 25 11.731 0.038 8.316 1.00 0.00 N ATOM 396 CA GLU A 25 11.981 1.464 8.228 1.00 0.00 C ATOM 397 C GLU A 25 11.649 1.984 6.848 1.00 0.00 C ATOM 398 O GLU A 25 12.303 2.891 6.320 1.00 0.00 O ATOM 399 CB GLU A 25 13.406 1.831 8.663 1.00 0.00 C ATOM 400 CG GLU A 25 14.393 0.756 8.220 1.00 0.00 C ATOM 401 CD GLU A 25 15.817 0.966 8.691 1.00 0.00 C ATOM 402 OE1 GLU A 25 16.047 0.702 9.890 1.00 0.00 O ATOM 403 OE2 GLU A 25 16.683 1.271 7.842 1.00 0.00 O ATOM 0 H GLU A 25 12.379 -0.504 7.745 1.00 0.00 H new ATOM 0 HA GLU A 25 11.315 1.960 8.934 1.00 0.00 H new ATOM 0 HB2 GLU A 25 13.688 2.792 8.232 1.00 0.00 H new ATOM 0 HB3 GLU A 25 13.444 1.944 9.746 1.00 0.00 H new ATOM 0 HG2 GLU A 25 14.044 -0.210 8.585 1.00 0.00 H new ATOM 0 HG3 GLU A 25 14.389 0.706 7.131 1.00 0.00 H new ATOM 410 N ASP A 26 10.578 1.442 6.287 1.00 0.00 N ATOM 411 CA ASP A 26 10.195 1.807 4.943 1.00 0.00 C ATOM 412 C ASP A 26 9.009 2.775 4.952 1.00 0.00 C ATOM 413 O ASP A 26 8.615 3.261 6.018 1.00 0.00 O ATOM 414 CB ASP A 26 9.994 0.538 4.114 1.00 0.00 C ATOM 415 CG ASP A 26 10.419 0.743 2.658 1.00 0.00 C ATOM 416 OD1 ASP A 26 10.454 1.903 2.197 1.00 0.00 O ATOM 417 OD2 ASP A 26 10.875 -0.237 2.020 1.00 0.00 O ATOM 0 H ASP A 26 9.970 0.758 6.738 1.00 0.00 H new ATOM 0 HA ASP A 26 10.992 2.367 4.453 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.571 -0.278 4.551 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.946 0.242 4.149 1.00 0.00 H new ATOM 422 N LYS A 27 8.450 3.123 3.795 1.00 0.00 N ATOM 423 CA LYS A 27 7.243 3.942 3.684 1.00 0.00 C ATOM 424 C LYS A 27 6.419 3.415 2.514 1.00 0.00 C ATOM 425 O LYS A 27 6.835 3.566 1.367 1.00 0.00 O ATOM 426 CB LYS A 27 7.577 5.439 3.587 1.00 0.00 C ATOM 427 CG LYS A 27 8.630 5.810 2.534 1.00 0.00 C ATOM 428 CD LYS A 27 9.987 6.152 3.149 1.00 0.00 C ATOM 429 CE LYS A 27 10.091 7.635 3.506 1.00 0.00 C ATOM 430 NZ LYS A 27 9.439 8.023 4.772 1.00 0.00 N ATOM 0 H LYS A 27 8.829 2.839 2.892 1.00 0.00 H new ATOM 0 HA LYS A 27 6.641 3.860 4.589 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.660 5.985 3.368 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.926 5.780 4.562 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.750 4.979 1.839 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.274 6.662 1.955 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.142 5.551 4.045 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.780 5.890 2.448 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.145 7.906 3.561 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.653 8.219 2.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.649 9.020 4.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.410 7.896 4.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.798 7.426 5.544 1.00 0.00 H new ATOM 444 N ILE A 28 5.306 2.725 2.768 1.00 0.00 N ATOM 445 CA ILE A 28 4.514 2.116 1.705 1.00 0.00 C ATOM 446 C ILE A 28 3.038 2.446 1.935 1.00 0.00 C ATOM 447 O ILE A 28 2.596 2.597 3.077 1.00 0.00 O ATOM 448 CB ILE A 28 4.739 0.588 1.614 1.00 0.00 C ATOM 449 CG1 ILE A 28 6.148 0.025 1.965 1.00 0.00 C ATOM 450 CG2 ILE A 28 4.429 0.168 0.161 1.00 0.00 C ATOM 451 CD1 ILE A 28 6.044 -1.449 2.348 1.00 0.00 C ATOM 0 H ILE A 28 4.934 2.575 3.706 1.00 0.00 H new ATOM 0 HA ILE A 28 4.836 2.529 0.749 1.00 0.00 H new ATOM 0 HB ILE A 28 4.086 0.174 2.382 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.817 0.141 1.112 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.580 0.593 2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.576 -0.907 0.054 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.395 0.418 -0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.097 0.695 -0.520 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.035 -1.832 2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.391 -1.555 3.214 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.632 -2.014 1.512 1.00 0.00 H new ATOM 463 N VAL A 29 2.282 2.510 0.840 1.00 0.00 N ATOM 464 CA VAL A 29 0.851 2.800 0.781 1.00 0.00 C ATOM 465 C VAL A 29 0.246 2.032 -0.404 1.00 0.00 C ATOM 466 O VAL A 29 0.962 1.736 -1.359 1.00 0.00 O ATOM 467 CB VAL A 29 0.598 4.323 0.673 1.00 0.00 C ATOM 468 CG1 VAL A 29 -0.891 4.680 0.507 1.00 0.00 C ATOM 469 CG2 VAL A 29 1.104 5.053 1.925 1.00 0.00 C ATOM 0 H VAL A 29 2.677 2.351 -0.087 1.00 0.00 H new ATOM 0 HA VAL A 29 0.366 2.472 1.701 1.00 0.00 H new ATOM 0 HB VAL A 29 1.141 4.640 -0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.000 5.762 0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.277 4.217 -0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.451 4.314 1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.915 6.122 1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.582 4.673 2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.175 4.883 2.037 1.00 0.00 H new ATOM 479 N LEU A 30 -1.062 1.734 -0.364 1.00 0.00 N ATOM 480 CA LEU A 30 -1.794 0.999 -1.402 1.00 0.00 C ATOM 481 C LEU A 30 -2.823 1.899 -2.075 1.00 0.00 C ATOM 482 O LEU A 30 -3.509 2.639 -1.375 1.00 0.00 O ATOM 483 CB LEU A 30 -2.509 -0.263 -0.852 1.00 0.00 C ATOM 484 CG LEU A 30 -2.059 -0.896 0.476 1.00 0.00 C ATOM 485 CD1 LEU A 30 -3.007 -2.038 0.849 1.00 0.00 C ATOM 486 CD2 LEU A 30 -0.644 -1.452 0.398 1.00 0.00 C ATOM 0 H LEU A 30 -1.657 2.008 0.418 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.048 0.674 -2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.566 -0.016 -0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.435 -1.035 -1.618 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.079 -0.109 1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.686 -2.485 1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.019 -1.649 0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.992 -2.795 0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.371 -1.888 1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.596 -2.219 -0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.050 -0.648 0.155 1.00 0.00 H new ATOM 498 N ILE A 31 -3.001 1.800 -3.399 1.00 0.00 N ATOM 499 CA ILE A 31 -4.017 2.557 -4.137 1.00 0.00 C ATOM 500 C ILE A 31 -4.850 1.610 -5.007 1.00 0.00 C ATOM 501 O ILE A 31 -4.564 0.421 -5.058 1.00 0.00 O ATOM 502 CB ILE A 31 -3.399 3.784 -4.850 1.00 0.00 C ATOM 503 CG1 ILE A 31 -3.077 3.487 -6.323 1.00 0.00 C ATOM 504 CG2 ILE A 31 -2.220 4.442 -4.098 1.00 0.00 C ATOM 505 CD1 ILE A 31 -2.445 4.644 -7.080 1.00 0.00 C ATOM 0 H ILE A 31 -2.439 1.188 -3.991 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.735 3.004 -3.450 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.178 4.546 -4.835 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.405 2.630 -6.368 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.997 3.197 -6.831 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.851 5.292 -4.672 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.558 4.784 -3.120 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.418 3.715 -3.971 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.253 4.343 -8.110 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.123 5.498 -7.072 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.506 4.922 -6.602 1.00 0.00 H new ATOM 517 N GLN A 32 -5.876 2.130 -5.681 1.00 0.00 N ATOM 518 CA GLN A 32 -6.755 1.469 -6.652 1.00 0.00 C ATOM 519 C GLN A 32 -7.000 0.000 -6.343 1.00 0.00 C ATOM 520 O GLN A 32 -7.799 -0.272 -5.463 1.00 0.00 O ATOM 521 CB GLN A 32 -6.280 1.668 -8.091 1.00 0.00 C ATOM 522 CG GLN A 32 -6.125 3.150 -8.426 1.00 0.00 C ATOM 523 CD GLN A 32 -7.132 3.626 -9.461 1.00 0.00 C ATOM 524 OE1 GLN A 32 -7.079 3.228 -10.622 1.00 0.00 O ATOM 525 NE2 GLN A 32 -8.076 4.454 -9.060 1.00 0.00 N ATOM 0 H GLN A 32 -6.137 3.107 -5.552 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.720 1.965 -6.553 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.327 1.159 -8.235 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.992 1.211 -8.778 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.240 3.738 -7.516 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.116 3.331 -8.797 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.099 4.770 -8.091 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.784 4.778 -9.719 1.00 0.00 H new ATOM 534 N ASN A 33 -6.331 -0.936 -7.034 1.00 0.00 N ATOM 535 CA ASN A 33 -6.448 -2.370 -6.774 1.00 0.00 C ATOM 536 C ASN A 33 -5.347 -2.885 -5.861 1.00 0.00 C ATOM 537 O ASN A 33 -5.532 -3.923 -5.239 1.00 0.00 O ATOM 538 CB ASN A 33 -6.480 -3.186 -8.072 1.00 0.00 C ATOM 539 CG ASN A 33 -7.734 -2.820 -8.859 1.00 0.00 C ATOM 540 OD1 ASN A 33 -8.838 -3.130 -8.420 1.00 0.00 O ATOM 541 ND2 ASN A 33 -7.640 -2.049 -9.927 1.00 0.00 N ATOM 0 H ASN A 33 -5.689 -0.712 -7.794 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.400 -2.504 -6.259 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -5.590 -2.982 -8.667 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.475 -4.252 -7.846 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.485 -1.711 -10.388 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.723 -1.792 -10.291 1.00 0.00 H new ATOM 548 N GLY A 34 -4.228 -2.165 -5.728 1.00 0.00 N ATOM 549 CA GLY A 34 -3.212 -2.380 -4.701 1.00 0.00 C ATOM 550 C GLY A 34 -3.812 -2.558 -3.312 1.00 0.00 C ATOM 551 O GLY A 34 -3.239 -3.254 -2.486 1.00 0.00 O ATOM 0 H GLY A 34 -4.000 -1.393 -6.354 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.625 -3.263 -4.955 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.526 -1.533 -4.691 1.00 0.00 H new ATOM 555 N VAL A 35 -4.981 -1.978 -3.052 1.00 0.00 N ATOM 556 CA VAL A 35 -5.766 -2.180 -1.839 1.00 0.00 C ATOM 557 C VAL A 35 -5.887 -3.649 -1.391 1.00 0.00 C ATOM 558 O VAL A 35 -5.948 -3.885 -0.181 1.00 0.00 O ATOM 559 CB VAL A 35 -7.144 -1.527 -2.016 1.00 0.00 C ATOM 560 CG1 VAL A 35 -7.004 -0.002 -2.180 1.00 0.00 C ATOM 561 CG2 VAL A 35 -7.954 -2.116 -3.175 1.00 0.00 C ATOM 0 H VAL A 35 -5.423 -1.331 -3.705 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.223 -1.697 -1.026 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.703 -1.746 -1.106 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.991 0.443 -2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.526 0.417 -1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.395 0.215 -3.058 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.916 -1.608 -3.242 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.406 -1.980 -4.108 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.117 -3.180 -3.001 1.00 0.00 H new ATOM 571 N PHE A 36 -5.841 -4.626 -2.310 1.00 0.00 N ATOM 572 CA PHE A 36 -5.826 -6.048 -2.006 1.00 0.00 C ATOM 573 C PHE A 36 -4.678 -6.451 -1.067 1.00 0.00 C ATOM 574 O PHE A 36 -4.817 -7.442 -0.350 1.00 0.00 O ATOM 575 CB PHE A 36 -5.740 -6.835 -3.316 1.00 0.00 C ATOM 576 CG PHE A 36 -7.066 -7.187 -3.970 1.00 0.00 C ATOM 577 CD1 PHE A 36 -7.822 -6.207 -4.641 1.00 0.00 C ATOM 578 CD2 PHE A 36 -7.512 -8.523 -3.970 1.00 0.00 C ATOM 579 CE1 PHE A 36 -9.006 -6.558 -5.312 1.00 0.00 C ATOM 580 CE2 PHE A 36 -8.691 -8.875 -4.649 1.00 0.00 C ATOM 581 CZ PHE A 36 -9.439 -7.892 -5.318 1.00 0.00 C ATOM 0 H PHE A 36 -5.813 -4.433 -3.311 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.750 -6.283 -1.477 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.150 -6.256 -4.026 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.194 -7.759 -3.126 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.490 -5.179 -4.640 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.946 -9.279 -3.446 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.582 -5.801 -5.823 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -9.022 -9.903 -4.656 1.00 0.00 H new ATOM 0 HZ PHE A 36 -10.347 -8.163 -5.837 1.00 0.00 H new ATOM 591 N TRP A 37 -3.577 -5.686 -0.995 1.00 0.00 N ATOM 592 CA TRP A 37 -2.481 -6.036 -0.100 1.00 0.00 C ATOM 593 C TRP A 37 -2.914 -5.948 1.370 1.00 0.00 C ATOM 594 O TRP A 37 -2.235 -6.519 2.216 1.00 0.00 O ATOM 595 CB TRP A 37 -1.231 -5.174 -0.316 1.00 0.00 C ATOM 596 CG TRP A 37 -0.444 -5.444 -1.555 1.00 0.00 C ATOM 597 CD1 TRP A 37 -0.463 -4.683 -2.668 1.00 0.00 C ATOM 598 CD2 TRP A 37 0.528 -6.504 -1.804 1.00 0.00 C ATOM 599 NE1 TRP A 37 0.350 -5.255 -3.623 1.00 0.00 N ATOM 600 CE2 TRP A 37 1.037 -6.347 -3.123 1.00 0.00 C ATOM 601 CE3 TRP A 37 1.044 -7.576 -1.046 1.00 0.00 C ATOM 602 CZ2 TRP A 37 2.020 -7.204 -3.645 1.00 0.00 C ATOM 603 CZ3 TRP A 37 2.008 -8.454 -1.575 1.00 0.00 C ATOM 604 CH2 TRP A 37 2.531 -8.249 -2.864 1.00 0.00 C ATOM 0 H TRP A 37 -3.430 -4.836 -1.539 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.219 -7.066 -0.343 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.535 -4.127 -0.326 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.572 -5.306 0.542 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.026 -3.770 -2.792 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.435 -4.915 -4.581 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.691 -7.726 -0.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.383 -7.057 -4.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.349 -9.292 -0.986 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.314 -8.887 -3.246 1.00 0.00 H new ATOM 615 N ALA A 38 -4.013 -5.258 1.706 1.00 0.00 N ATOM 616 CA ALA A 38 -4.588 -5.202 3.051 1.00 0.00 C ATOM 617 C ALA A 38 -5.570 -6.333 3.259 1.00 0.00 C ATOM 618 O ALA A 38 -6.590 -6.115 3.911 1.00 0.00 O ATOM 619 CB ALA A 38 -5.285 -3.854 3.221 1.00 0.00 C ATOM 0 H ALA A 38 -4.539 -4.708 1.027 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.797 -5.309 3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.721 -3.793 4.218 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.560 -3.051 3.092 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.073 -3.755 2.474 1.00 0.00 H new ATOM 625 N LEU A 39 -5.260 -7.518 2.736 1.00 0.00 N ATOM 626 CA LEU A 39 -6.040 -8.732 2.873 1.00 0.00 C ATOM 627 C LEU A 39 -5.277 -9.927 2.292 1.00 0.00 C ATOM 628 O LEU A 39 -5.831 -10.820 1.645 1.00 0.00 O ATOM 629 CB LEU A 39 -7.500 -8.553 2.439 1.00 0.00 C ATOM 630 CG LEU A 39 -7.895 -7.923 1.089 1.00 0.00 C ATOM 631 CD1 LEU A 39 -9.413 -8.100 1.018 1.00 0.00 C ATOM 632 CD2 LEU A 39 -7.706 -6.405 0.977 1.00 0.00 C ATOM 0 H LEU A 39 -4.416 -7.657 2.180 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.157 -8.975 3.929 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.956 -9.543 2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.984 -7.958 3.213 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.276 -8.393 0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.785 -7.678 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.658 -9.161 1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.879 -7.587 1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.015 -6.072 -0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.312 -5.906 1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.656 -6.157 1.132 1.00 0.00 H new ATOM 644 N GLU A 40 -3.983 -9.960 2.606 1.00 0.00 N ATOM 645 CA GLU A 40 -3.011 -11.009 2.302 1.00 0.00 C ATOM 646 C GLU A 40 -2.785 -11.842 3.569 1.00 0.00 C ATOM 647 O GLU A 40 -3.622 -11.840 4.474 1.00 0.00 O ATOM 648 CB GLU A 40 -1.702 -10.355 1.829 1.00 0.00 C ATOM 649 CG GLU A 40 -1.918 -9.424 0.638 1.00 0.00 C ATOM 650 CD GLU A 40 -2.150 -10.111 -0.715 1.00 0.00 C ATOM 651 OE1 GLU A 40 -1.998 -11.356 -0.826 1.00 0.00 O ATOM 652 OE2 GLU A 40 -2.419 -9.391 -1.704 1.00 0.00 O ATOM 0 H GLU A 40 -3.553 -9.192 3.121 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.375 -11.663 1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.261 -9.793 2.652 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.988 -11.132 1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.775 -8.785 0.851 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.049 -8.772 0.549 1.00 0.00 H new ATOM 659 N GLU A 41 -1.678 -12.576 3.643 1.00 0.00 N ATOM 660 CA GLU A 41 -1.344 -13.477 4.730 1.00 0.00 C ATOM 661 C GLU A 41 0.160 -13.501 4.983 1.00 0.00 C ATOM 662 O GLU A 41 0.827 -14.531 4.852 1.00 0.00 O ATOM 663 CB GLU A 41 -1.950 -14.850 4.409 1.00 0.00 C ATOM 664 CG GLU A 41 -1.510 -15.412 3.041 1.00 0.00 C ATOM 665 CD GLU A 41 -2.624 -15.406 1.992 1.00 0.00 C ATOM 666 OE1 GLU A 41 -3.129 -14.318 1.629 1.00 0.00 O ATOM 667 OE2 GLU A 41 -2.962 -16.496 1.477 1.00 0.00 O ATOM 0 H GLU A 41 -0.964 -12.555 2.915 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.773 -13.133 5.671 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.667 -15.555 5.191 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.037 -14.772 4.428 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.669 -14.826 2.670 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.153 -16.433 3.174 1.00 0.00 H new ATOM 674 N LEU A 42 0.711 -12.336 5.301 1.00 0.00 N ATOM 675 CA LEU A 42 2.137 -12.107 5.481 1.00 0.00 C ATOM 676 C LEU A 42 2.269 -11.073 6.609 1.00 0.00 C ATOM 677 O LEU A 42 1.435 -11.073 7.515 1.00 0.00 O ATOM 678 CB LEU A 42 2.717 -11.685 4.118 1.00 0.00 C ATOM 679 CG LEU A 42 3.906 -12.483 3.540 1.00 0.00 C ATOM 680 CD1 LEU A 42 4.991 -12.856 4.537 1.00 0.00 C ATOM 681 CD2 LEU A 42 3.456 -13.734 2.795 1.00 0.00 C ATOM 0 H LEU A 42 0.155 -11.494 5.446 1.00 0.00 H new ATOM 0 HA LEU A 42 2.710 -12.983 5.785 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.908 -11.722 3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.026 -10.643 4.198 1.00 0.00 H new ATOM 0 HG LEU A 42 4.358 -11.776 2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.777 -13.413 4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.412 -11.950 4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.563 -13.473 5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.328 -14.260 2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.911 -14.387 3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.806 -13.450 1.967 1.00 0.00 H new ATOM 693 N GLU A 43 3.309 -10.227 6.626 1.00 0.00 N ATOM 694 CA GLU A 43 3.554 -9.352 7.763 1.00 0.00 C ATOM 695 C GLU A 43 4.477 -8.195 7.362 1.00 0.00 C ATOM 696 O GLU A 43 5.663 -8.414 7.152 1.00 0.00 O ATOM 697 CB GLU A 43 4.121 -10.184 8.938 1.00 0.00 C ATOM 698 CG GLU A 43 5.450 -10.930 8.762 1.00 0.00 C ATOM 699 CD GLU A 43 5.400 -12.441 8.552 1.00 0.00 C ATOM 700 OE1 GLU A 43 5.038 -13.194 9.481 1.00 0.00 O ATOM 701 OE2 GLU A 43 5.906 -12.869 7.486 1.00 0.00 O ATOM 0 H GLU A 43 3.985 -10.136 5.868 1.00 0.00 H new ATOM 0 HA GLU A 43 2.618 -8.902 8.094 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.233 -9.513 9.789 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.366 -10.921 9.211 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.969 -10.491 7.910 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.062 -10.735 9.643 1.00 0.00 H new ATOM 708 N THR A 44 4.008 -6.958 7.224 1.00 0.00 N ATOM 709 CA THR A 44 4.944 -5.847 6.998 1.00 0.00 C ATOM 710 C THR A 44 5.567 -5.492 8.341 1.00 0.00 C ATOM 711 O THR A 44 4.879 -5.489 9.366 1.00 0.00 O ATOM 712 CB THR A 44 4.239 -4.628 6.394 1.00 0.00 C ATOM 713 OG1 THR A 44 5.183 -3.627 6.075 1.00 0.00 O ATOM 714 CG2 THR A 44 3.167 -4.051 7.336 1.00 0.00 C ATOM 0 H THR A 44 3.022 -6.698 7.262 1.00 0.00 H new ATOM 0 HA THR A 44 5.709 -6.151 6.284 1.00 0.00 H new ATOM 0 HB THR A 44 3.737 -4.963 5.487 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.945 -3.213 5.219 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.695 -3.189 6.865 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.413 -4.812 7.539 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.633 -3.743 8.272 1.00 0.00 H new ATOM 722 N PRO A 45 6.872 -5.205 8.374 1.00 0.00 N ATOM 723 CA PRO A 45 7.450 -4.500 9.486 1.00 0.00 C ATOM 724 C PRO A 45 7.423 -2.974 9.249 1.00 0.00 C ATOM 725 O PRO A 45 7.642 -2.216 10.189 1.00 0.00 O ATOM 726 CB PRO A 45 8.850 -5.094 9.553 1.00 0.00 C ATOM 727 CG PRO A 45 9.236 -5.385 8.104 1.00 0.00 C ATOM 728 CD PRO A 45 7.897 -5.523 7.388 1.00 0.00 C ATOM 0 HA PRO A 45 6.916 -4.615 10.429 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.551 -4.398 10.014 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.863 -6.004 10.153 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.834 -4.578 7.680 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.828 -6.297 8.024 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.840 -4.846 6.536 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.765 -6.534 7.002 1.00 0.00 H new ATOM 736 N ALA A 46 7.165 -2.501 8.021 1.00 0.00 N ATOM 737 CA ALA A 46 7.139 -1.085 7.659 1.00 0.00 C ATOM 738 C ALA A 46 5.815 -0.444 8.077 1.00 0.00 C ATOM 739 O ALA A 46 4.920 -1.125 8.587 1.00 0.00 O ATOM 740 CB ALA A 46 7.344 -0.935 6.146 1.00 0.00 C ATOM 0 H ALA A 46 6.963 -3.115 7.232 1.00 0.00 H new ATOM 0 HA ALA A 46 7.946 -0.575 8.185 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.324 0.122 5.879 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.307 -1.362 5.865 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.547 -1.458 5.617 1.00 0.00 H new ATOM 746 N LYS A 47 5.635 0.857 7.810 1.00 0.00 N ATOM 747 CA LYS A 47 4.312 1.440 7.882 1.00 0.00 C ATOM 748 C LYS A 47 3.600 1.068 6.591 1.00 0.00 C ATOM 749 O LYS A 47 4.233 1.016 5.532 1.00 0.00 O ATOM 750 CB LYS A 47 4.400 2.946 8.101 1.00 0.00 C ATOM 751 CG LYS A 47 5.356 3.628 7.122 1.00 0.00 C ATOM 752 CD LYS A 47 5.077 5.110 6.949 1.00 0.00 C ATOM 753 CE LYS A 47 5.176 5.933 8.248 1.00 0.00 C ATOM 754 NZ LYS A 47 6.370 6.804 8.268 1.00 0.00 N ATOM 0 H LYS A 47 6.379 1.504 7.549 1.00 0.00 H new ATOM 0 HA LYS A 47 3.746 1.057 8.731 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.407 3.383 7.997 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.730 3.142 9.121 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.380 3.496 7.472 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.285 3.136 6.152 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.779 5.517 6.221 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.078 5.233 6.531 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.280 6.545 8.358 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.207 5.257 9.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.395 7.338 9.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.227 6.220 8.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.329 7.467 7.468 1.00 0.00 H new ATOM 768 N VAL A 48 2.309 0.780 6.677 1.00 0.00 N ATOM 769 CA VAL A 48 1.492 0.404 5.549 1.00 0.00 C ATOM 770 C VAL A 48 0.163 1.073 5.798 1.00 0.00 C ATOM 771 O VAL A 48 -0.404 0.984 6.883 1.00 0.00 O ATOM 772 CB VAL A 48 1.398 -1.127 5.444 1.00 0.00 C ATOM 773 CG1 VAL A 48 0.270 -1.563 4.497 1.00 0.00 C ATOM 774 CG2 VAL A 48 2.757 -1.663 4.959 1.00 0.00 C ATOM 0 H VAL A 48 1.795 0.804 7.558 1.00 0.00 H new ATOM 0 HA VAL A 48 1.902 0.722 4.590 1.00 0.00 H new ATOM 0 HB VAL A 48 1.160 -1.540 6.424 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.235 -2.651 4.449 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.683 -1.186 4.868 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.456 -1.162 3.501 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.712 -2.749 4.878 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.990 -1.235 3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.533 -1.385 5.672 1.00 0.00 H new ATOM 784 N TYR A 49 -0.311 1.758 4.774 1.00 0.00 N ATOM 785 CA TYR A 49 -1.591 2.436 4.783 1.00 0.00 C ATOM 786 C TYR A 49 -2.239 2.199 3.415 1.00 0.00 C ATOM 787 O TYR A 49 -1.550 1.769 2.497 1.00 0.00 O ATOM 788 CB TYR A 49 -1.335 3.918 5.056 1.00 0.00 C ATOM 789 CG TYR A 49 -0.697 4.310 6.392 1.00 0.00 C ATOM 790 CD1 TYR A 49 0.705 4.437 6.569 1.00 0.00 C ATOM 791 CD2 TYR A 49 -1.550 4.654 7.458 1.00 0.00 C ATOM 792 CE1 TYR A 49 1.203 4.981 7.770 1.00 0.00 C ATOM 793 CE2 TYR A 49 -1.054 5.160 8.669 1.00 0.00 C ATOM 794 CZ TYR A 49 0.334 5.337 8.821 1.00 0.00 C ATOM 795 OH TYR A 49 0.836 5.874 9.963 1.00 0.00 O ATOM 0 H TYR A 49 0.195 1.860 3.894 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.264 2.064 5.555 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.696 4.298 4.258 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.288 4.440 4.977 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.384 4.120 5.791 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.616 4.525 7.340 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.267 5.127 7.887 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.729 5.410 9.474 1.00 0.00 H new ATOM 0 HH TYR A 49 0.103 6.063 10.585 1.00 0.00 H new ATOM 805 N ALA A 50 -3.529 2.465 3.219 1.00 0.00 N ATOM 806 CA ALA A 50 -4.194 2.254 1.927 1.00 0.00 C ATOM 807 C ALA A 50 -5.146 3.416 1.646 1.00 0.00 C ATOM 808 O ALA A 50 -5.667 4.017 2.584 1.00 0.00 O ATOM 809 CB ALA A 50 -4.969 0.943 1.973 1.00 0.00 C ATOM 0 H ALA A 50 -4.144 2.831 3.946 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.450 2.206 1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.465 0.780 1.016 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.281 0.121 2.170 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.715 0.989 2.766 1.00 0.00 H new ATOM 815 N ILE A 51 -5.401 3.725 0.375 1.00 0.00 N ATOM 816 CA ILE A 51 -6.237 4.846 -0.032 1.00 0.00 C ATOM 817 C ILE A 51 -7.692 4.465 0.095 1.00 0.00 C ATOM 818 O ILE A 51 -8.241 3.750 -0.739 1.00 0.00 O ATOM 819 CB ILE A 51 -5.866 5.343 -1.447 1.00 0.00 C ATOM 820 CG1 ILE A 51 -4.459 5.947 -1.518 1.00 0.00 C ATOM 821 CG2 ILE A 51 -6.866 6.385 -1.994 1.00 0.00 C ATOM 822 CD1 ILE A 51 -4.123 7.011 -0.470 1.00 0.00 C ATOM 0 H ILE A 51 -5.025 3.193 -0.410 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.056 5.690 0.634 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.902 4.446 -2.066 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.735 5.138 -1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.325 6.386 -2.506 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.556 6.699 -2.991 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.861 5.942 -2.046 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.888 7.250 -1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.102 7.362 -0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.813 7.849 -0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.214 6.581 0.527 1.00 0.00 H new ATOM 834 N LYS A 52 -8.305 5.044 1.118 1.00 0.00 N ATOM 835 CA LYS A 52 -9.700 4.997 1.491 1.00 0.00 C ATOM 836 C LYS A 52 -10.621 5.252 0.303 1.00 0.00 C ATOM 837 O LYS A 52 -11.502 4.446 0.043 1.00 0.00 O ATOM 838 CB LYS A 52 -9.833 5.999 2.654 1.00 0.00 C ATOM 839 CG LYS A 52 -11.169 6.113 3.390 1.00 0.00 C ATOM 840 CD LYS A 52 -10.956 6.921 4.692 1.00 0.00 C ATOM 841 CE LYS A 52 -12.019 7.998 4.926 1.00 0.00 C ATOM 842 NZ LYS A 52 -13.259 7.471 5.527 1.00 0.00 N ATOM 0 H LYS A 52 -7.774 5.618 1.773 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.020 4.008 1.820 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.072 5.748 3.393 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.587 6.987 2.266 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.907 6.606 2.757 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.558 5.121 3.621 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.953 6.235 5.539 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.974 7.393 4.660 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.608 8.770 5.576 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.258 8.476 3.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.938 8.248 5.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.672 6.754 4.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.042 7.039 6.448 1.00 0.00 H new ATOM 856 N ASP A 53 -10.448 6.341 -0.445 1.00 0.00 N ATOM 857 CA ASP A 53 -11.413 6.649 -1.506 1.00 0.00 C ATOM 858 C ASP A 53 -11.294 5.669 -2.674 1.00 0.00 C ATOM 859 O ASP A 53 -12.329 5.249 -3.194 1.00 0.00 O ATOM 860 CB ASP A 53 -11.292 8.099 -1.986 1.00 0.00 C ATOM 861 CG ASP A 53 -11.835 9.098 -0.965 1.00 0.00 C ATOM 862 OD1 ASP A 53 -12.899 8.863 -0.349 1.00 0.00 O ATOM 863 OD2 ASP A 53 -11.182 10.149 -0.776 1.00 0.00 O ATOM 0 H ASP A 53 -9.680 7.004 -0.345 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.407 6.532 -1.074 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.245 8.325 -2.190 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.832 8.214 -2.926 1.00 0.00 H new ATOM 868 N ASP A 54 -10.080 5.253 -3.071 1.00 0.00 N ATOM 869 CA ASP A 54 -9.898 4.226 -4.096 1.00 0.00 C ATOM 870 C ASP A 54 -10.459 2.893 -3.611 1.00 0.00 C ATOM 871 O ASP A 54 -11.143 2.215 -4.373 1.00 0.00 O ATOM 872 CB ASP A 54 -8.416 4.041 -4.461 1.00 0.00 C ATOM 873 CG ASP A 54 -7.923 4.949 -5.590 1.00 0.00 C ATOM 874 OD1 ASP A 54 -8.711 5.343 -6.480 1.00 0.00 O ATOM 875 OD2 ASP A 54 -6.716 5.277 -5.626 1.00 0.00 O ATOM 0 H ASP A 54 -9.207 5.619 -2.691 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.435 4.558 -4.985 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.811 4.225 -3.573 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.253 3.003 -4.749 1.00 0.00 H new ATOM 880 N PHE A 55 -10.194 2.526 -2.354 1.00 0.00 N ATOM 881 CA PHE A 55 -10.684 1.337 -1.678 1.00 0.00 C ATOM 882 C PHE A 55 -12.198 1.233 -1.762 1.00 0.00 C ATOM 883 O PHE A 55 -12.731 0.199 -2.165 1.00 0.00 O ATOM 884 CB PHE A 55 -10.232 1.381 -0.209 1.00 0.00 C ATOM 885 CG PHE A 55 -10.510 0.131 0.581 1.00 0.00 C ATOM 886 CD1 PHE A 55 -11.775 -0.137 1.123 1.00 0.00 C ATOM 887 CD2 PHE A 55 -9.491 -0.815 0.718 1.00 0.00 C ATOM 888 CE1 PHE A 55 -11.980 -1.323 1.834 1.00 0.00 C ATOM 889 CE2 PHE A 55 -9.750 -2.069 1.283 1.00 0.00 C ATOM 890 CZ PHE A 55 -10.994 -2.317 1.875 1.00 0.00 C ATOM 0 H PHE A 55 -9.595 3.090 -1.751 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.271 0.456 -2.170 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.161 1.580 -0.180 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.725 2.220 0.282 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -12.584 0.567 0.992 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.492 -0.576 0.384 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -12.912 -1.475 2.359 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.995 -2.841 1.262 1.00 0.00 H new ATOM 0 HZ PHE A 55 -11.191 -3.263 2.357 1.00 0.00 H new ATOM 900 N LEU A 56 -12.882 2.304 -1.368 1.00 0.00 N ATOM 901 CA LEU A 56 -14.332 2.421 -1.376 1.00 0.00 C ATOM 902 C LEU A 56 -14.841 2.393 -2.802 1.00 0.00 C ATOM 903 O LEU A 56 -15.857 1.758 -3.088 1.00 0.00 O ATOM 904 CB LEU A 56 -14.723 3.734 -0.688 1.00 0.00 C ATOM 905 CG LEU A 56 -14.429 3.692 0.822 1.00 0.00 C ATOM 906 CD1 LEU A 56 -14.561 5.101 1.409 1.00 0.00 C ATOM 907 CD2 LEU A 56 -15.374 2.736 1.559 1.00 0.00 C ATOM 0 H LEU A 56 -12.421 3.145 -1.022 1.00 0.00 H new ATOM 0 HA LEU A 56 -14.780 1.585 -0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.177 4.560 -1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.784 3.927 -0.847 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.412 3.324 0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -14.353 5.071 2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -13.850 5.767 0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -15.574 5.469 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -15.134 2.735 2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.404 3.064 1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.257 1.729 1.159 1.00 0.00 H new ATOM 919 N ALA A 57 -14.104 3.019 -3.721 1.00 0.00 N ATOM 920 CA ALA A 57 -14.422 2.931 -5.132 1.00 0.00 C ATOM 921 C ALA A 57 -14.229 1.506 -5.664 1.00 0.00 C ATOM 922 O ALA A 57 -14.744 1.197 -6.742 1.00 0.00 O ATOM 923 CB ALA A 57 -13.595 3.928 -5.948 1.00 0.00 C ATOM 0 H ALA A 57 -13.286 3.589 -3.506 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.475 3.190 -5.243 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.855 3.839 -7.003 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.806 4.941 -5.606 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.534 3.714 -5.817 1.00 0.00 H new ATOM 929 N ARG A 58 -13.533 0.616 -4.944 1.00 0.00 N ATOM 930 CA ARG A 58 -13.257 -0.737 -5.425 1.00 0.00 C ATOM 931 C ARG A 58 -14.267 -1.716 -4.835 1.00 0.00 C ATOM 932 O ARG A 58 -13.954 -2.896 -4.750 1.00 0.00 O ATOM 933 CB ARG A 58 -11.829 -1.111 -4.936 1.00 0.00 C ATOM 934 CG ARG A 58 -10.899 -1.788 -5.951 1.00 0.00 C ATOM 935 CD ARG A 58 -10.681 -3.273 -5.674 1.00 0.00 C ATOM 936 NE ARG A 58 -11.862 -4.063 -6.040 1.00 0.00 N ATOM 937 CZ ARG A 58 -12.152 -4.577 -7.236 1.00 0.00 C ATOM 938 NH1 ARG A 58 -11.326 -4.427 -8.264 1.00 0.00 N ATOM 939 NH2 ARG A 58 -13.283 -5.251 -7.389 1.00 0.00 N ATOM 0 H ARG A 58 -13.150 0.815 -4.020 1.00 0.00 H new ATOM 0 HA ARG A 58 -13.328 -0.782 -6.512 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -11.342 -0.201 -4.585 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.928 -1.772 -4.075 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -11.316 -1.670 -6.951 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -9.935 -1.279 -5.946 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.816 -3.627 -6.235 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.457 -3.419 -4.617 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.537 -4.239 -5.296 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.454 -3.912 -8.146 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.564 -4.827 -9.172 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.917 -5.370 -6.599 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.520 -5.650 -8.297 1.00 0.00 H new ATOM 953 N GLY A 59 -15.525 -1.326 -4.636 1.00 0.00 N ATOM 954 CA GLY A 59 -16.537 -2.232 -4.109 1.00 0.00 C ATOM 955 C GLY A 59 -16.071 -3.035 -2.889 1.00 0.00 C ATOM 956 O GLY A 59 -16.055 -4.266 -2.952 1.00 0.00 O ATOM 0 H GLY A 59 -15.866 -0.385 -4.833 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -17.421 -1.656 -3.837 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.837 -2.924 -4.896 1.00 0.00 H new ATOM 960 N TYR A 60 -15.678 -2.348 -1.815 1.00 0.00 N ATOM 961 CA TYR A 60 -15.326 -2.866 -0.502 1.00 0.00 C ATOM 962 C TYR A 60 -16.009 -1.969 0.544 1.00 0.00 C ATOM 963 O TYR A 60 -16.613 -0.958 0.177 1.00 0.00 O ATOM 964 CB TYR A 60 -13.805 -2.830 -0.345 1.00 0.00 C ATOM 965 CG TYR A 60 -13.033 -4.014 -0.896 1.00 0.00 C ATOM 966 CD1 TYR A 60 -12.595 -4.038 -2.223 1.00 0.00 C ATOM 967 CD2 TYR A 60 -12.679 -5.068 -0.047 1.00 0.00 C ATOM 968 CE1 TYR A 60 -11.912 -5.161 -2.734 1.00 0.00 C ATOM 969 CE2 TYR A 60 -12.016 -6.204 -0.538 1.00 0.00 C ATOM 970 CZ TYR A 60 -11.633 -6.263 -1.896 1.00 0.00 C ATOM 971 OH TYR A 60 -10.890 -7.310 -2.354 1.00 0.00 O ATOM 0 H TYR A 60 -15.592 -1.332 -1.849 1.00 0.00 H new ATOM 0 HA TYR A 60 -15.656 -3.897 -0.374 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -13.435 -1.927 -0.830 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -13.575 -2.739 0.717 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.781 -3.188 -2.863 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -12.920 -5.007 1.004 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -11.602 -5.178 -3.768 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -11.799 -7.031 0.122 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.577 -7.117 -3.262 1.00 0.00 H new ATOM 981 N SER A 61 -15.890 -2.292 1.834 1.00 0.00 N ATOM 982 CA SER A 61 -16.266 -1.423 2.939 1.00 0.00 C ATOM 983 C SER A 61 -15.133 -1.431 3.976 1.00 0.00 C ATOM 984 O SER A 61 -14.299 -2.335 3.953 1.00 0.00 O ATOM 985 CB SER A 61 -17.606 -1.903 3.507 1.00 0.00 C ATOM 986 OG SER A 61 -18.279 -0.841 4.157 1.00 0.00 O ATOM 0 H SER A 61 -15.519 -3.191 2.141 1.00 0.00 H new ATOM 0 HA SER A 61 -16.403 -0.391 2.616 1.00 0.00 H new ATOM 0 HB2 SER A 61 -18.228 -2.297 2.703 1.00 0.00 H new ATOM 0 HB3 SER A 61 -17.438 -2.719 4.210 1.00 0.00 H new ATOM 0 HG SER A 61 -19.133 -1.164 4.512 1.00 0.00 H new ATOM 992 N GLU A 62 -15.073 -0.456 4.890 1.00 0.00 N ATOM 993 CA GLU A 62 -13.903 -0.167 5.717 1.00 0.00 C ATOM 994 C GLU A 62 -13.456 -1.390 6.505 1.00 0.00 C ATOM 995 O GLU A 62 -12.265 -1.583 6.753 1.00 0.00 O ATOM 996 CB GLU A 62 -14.174 0.940 6.755 1.00 0.00 C ATOM 997 CG GLU A 62 -15.099 2.077 6.324 1.00 0.00 C ATOM 998 CD GLU A 62 -15.052 3.263 7.295 1.00 0.00 C ATOM 999 OE1 GLU A 62 -13.928 3.739 7.592 1.00 0.00 O ATOM 1000 OE2 GLU A 62 -16.119 3.810 7.656 1.00 0.00 O ATOM 0 H GLU A 62 -15.858 0.168 5.077 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.134 0.152 5.013 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.599 0.475 7.644 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.217 1.373 7.048 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.816 2.415 5.327 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.121 1.705 6.257 1.00 0.00 H new ATOM 1007 N GLU A 63 -14.433 -2.184 6.936 1.00 0.00 N ATOM 1008 CA GLU A 63 -14.246 -3.351 7.765 1.00 0.00 C ATOM 1009 C GLU A 63 -13.557 -4.511 7.024 1.00 0.00 C ATOM 1010 O GLU A 63 -13.189 -5.511 7.641 1.00 0.00 O ATOM 1011 CB GLU A 63 -15.612 -3.740 8.350 1.00 0.00 C ATOM 1012 CG GLU A 63 -16.607 -4.276 7.306 1.00 0.00 C ATOM 1013 CD GLU A 63 -18.047 -3.934 7.687 1.00 0.00 C ATOM 1014 OE1 GLU A 63 -18.658 -4.621 8.536 1.00 0.00 O ATOM 1015 OE2 GLU A 63 -18.594 -2.949 7.137 1.00 0.00 O ATOM 0 H GLU A 63 -15.412 -2.017 6.703 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.559 -3.112 8.577 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.464 -4.498 9.119 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -16.048 -2.869 8.840 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -16.376 -3.852 6.329 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -16.498 -5.357 7.218 1.00 0.00 H new ATOM 1022 N ASP A 64 -13.378 -4.404 5.707 1.00 0.00 N ATOM 1023 CA ASP A 64 -12.820 -5.456 4.866 1.00 0.00 C ATOM 1024 C ASP A 64 -11.300 -5.405 4.777 1.00 0.00 C ATOM 1025 O ASP A 64 -10.692 -6.424 4.434 1.00 0.00 O ATOM 1026 CB ASP A 64 -13.337 -5.340 3.436 1.00 0.00 C ATOM 1027 CG ASP A 64 -14.830 -5.548 3.243 1.00 0.00 C ATOM 1028 OD1 ASP A 64 -15.457 -6.327 3.997 1.00 0.00 O ATOM 1029 OD2 ASP A 64 -15.367 -4.999 2.256 1.00 0.00 O ATOM 0 H ASP A 64 -13.624 -3.562 5.186 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.130 -6.389 5.337 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.077 -4.352 3.057 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.807 -6.067 2.820 1.00 0.00 H new ATOM 1034 N SER A 65 -10.689 -4.236 5.006 1.00 0.00 N ATOM 1035 CA SER A 65 -9.246 -4.097 4.903 1.00 0.00 C ATOM 1036 C SER A 65 -8.632 -4.327 6.277 1.00 0.00 C ATOM 1037 O SER A 65 -9.191 -3.910 7.294 1.00 0.00 O ATOM 1038 CB SER A 65 -8.842 -2.731 4.326 1.00 0.00 C ATOM 1039 OG SER A 65 -7.691 -2.139 4.910 1.00 0.00 O ATOM 0 H SER A 65 -11.178 -3.378 5.263 1.00 0.00 H new ATOM 0 HA SER A 65 -8.866 -4.845 4.207 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.668 -2.845 3.256 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.681 -2.045 4.441 1.00 0.00 H new ATOM 0 HG SER A 65 -7.938 -1.707 5.754 1.00 0.00 H new ATOM 1045 N LYS A 66 -7.415 -4.869 6.285 1.00 0.00 N ATOM 1046 CA LYS A 66 -6.643 -5.101 7.492 1.00 0.00 C ATOM 1047 C LYS A 66 -5.418 -4.202 7.581 1.00 0.00 C ATOM 1048 O LYS A 66 -4.399 -4.621 8.129 1.00 0.00 O ATOM 1049 CB LYS A 66 -6.340 -6.608 7.567 1.00 0.00 C ATOM 1050 CG LYS A 66 -5.364 -7.190 6.538 1.00 0.00 C ATOM 1051 CD LYS A 66 -4.576 -8.392 7.065 1.00 0.00 C ATOM 1052 CE LYS A 66 -4.463 -9.497 6.000 1.00 0.00 C ATOM 1053 NZ LYS A 66 -5.649 -10.384 6.024 1.00 0.00 N ATOM 0 H LYS A 66 -6.935 -5.162 5.434 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.216 -4.822 8.376 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.947 -6.822 8.561 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.284 -7.145 7.475 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.919 -7.490 5.649 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.665 -6.413 6.230 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.579 -8.072 7.367 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.066 -8.789 7.954 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.362 -9.046 5.013 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.562 -10.085 6.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.555 -11.110 5.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.720 -10.844 6.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.506 -9.822 5.850 1.00 0.00 H new ATOM 1067 N VAL A 67 -5.530 -2.945 7.144 1.00 0.00 N ATOM 1068 CA VAL A 67 -4.539 -1.881 7.341 1.00 0.00 C ATOM 1069 C VAL A 67 -5.296 -0.557 7.496 1.00 0.00 C ATOM 1070 O VAL A 67 -6.491 -0.499 7.183 1.00 0.00 O ATOM 1071 CB VAL A 67 -3.504 -1.855 6.185 1.00 0.00 C ATOM 1072 CG1 VAL A 67 -2.937 -3.248 5.890 1.00 0.00 C ATOM 1073 CG2 VAL A 67 -4.013 -1.122 4.934 1.00 0.00 C ATOM 0 H VAL A 67 -6.346 -2.627 6.622 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.956 -2.061 8.244 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.664 -1.255 6.535 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.217 -3.182 5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.442 -3.636 6.781 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.748 -3.918 5.605 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.242 -1.139 4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.910 -1.617 4.562 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.248 -0.089 5.188 1.00 0.00 H new ATOM 1083 N PRO A 68 -4.641 0.508 7.982 1.00 0.00 N ATOM 1084 CA PRO A 68 -5.255 1.813 8.142 1.00 0.00 C ATOM 1085 C PRO A 68 -5.574 2.447 6.791 1.00 0.00 C ATOM 1086 O PRO A 68 -4.686 2.728 5.977 1.00 0.00 O ATOM 1087 CB PRO A 68 -4.309 2.618 9.033 1.00 0.00 C ATOM 1088 CG PRO A 68 -2.957 1.936 8.860 1.00 0.00 C ATOM 1089 CD PRO A 68 -3.316 0.496 8.575 1.00 0.00 C ATOM 0 HA PRO A 68 -6.231 1.763 8.625 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.269 3.664 8.728 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.633 2.602 10.074 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -2.388 2.376 8.041 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.345 2.026 9.758 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.592 0.043 7.897 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.307 -0.094 9.491 1.00 0.00 H new ATOM 1097 N LEU A 69 -6.870 2.650 6.570 1.00 0.00 N ATOM 1098 CA LEU A 69 -7.456 3.295 5.411 1.00 0.00 C ATOM 1099 C LEU A 69 -7.378 4.799 5.635 1.00 0.00 C ATOM 1100 O LEU A 69 -8.001 5.339 6.552 1.00 0.00 O ATOM 1101 CB LEU A 69 -8.905 2.795 5.220 1.00 0.00 C ATOM 1102 CG LEU A 69 -9.068 1.273 5.052 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -10.539 0.887 4.888 1.00 0.00 C ATOM 1104 CD2 LEU A 69 -8.278 0.786 3.837 1.00 0.00 C ATOM 0 H LEU A 69 -7.578 2.348 7.240 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.918 3.051 4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.496 3.113 6.079 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.327 3.286 4.343 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.682 0.798 5.954 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.621 -0.194 4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.098 1.200 5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.948 1.379 4.006 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.402 -0.292 3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.646 1.284 2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.222 1.018 3.973 1.00 0.00 H new ATOM 1116 N ILE A 70 -6.567 5.464 4.823 1.00 0.00 N ATOM 1117 CA ILE A 70 -6.227 6.882 4.903 1.00 0.00 C ATOM 1118 C ILE A 70 -6.598 7.605 3.606 1.00 0.00 C ATOM 1119 O ILE A 70 -6.901 6.966 2.599 1.00 0.00 O ATOM 1120 CB ILE A 70 -4.730 7.041 5.238 1.00 0.00 C ATOM 1121 CG1 ILE A 70 -3.810 6.707 4.038 1.00 0.00 C ATOM 1122 CG2 ILE A 70 -4.391 6.269 6.528 1.00 0.00 C ATOM 1123 CD1 ILE A 70 -2.339 7.077 4.259 1.00 0.00 C ATOM 0 H ILE A 70 -6.100 5.002 4.043 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.806 7.344 5.703 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.529 8.094 5.437 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.878 5.640 3.827 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.177 7.230 3.155 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.332 6.388 6.755 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.986 6.661 7.353 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.616 5.212 6.389 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.760 6.812 3.374 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.257 8.149 4.439 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.953 6.534 5.121 1.00 0.00 H new ATOM 1135 N THR A 71 -6.553 8.931 3.598 1.00 0.00 N ATOM 1136 CA THR A 71 -6.811 9.713 2.398 1.00 0.00 C ATOM 1137 C THR A 71 -5.576 9.820 1.501 1.00 0.00 C ATOM 1138 O THR A 71 -4.450 9.535 1.918 1.00 0.00 O ATOM 1139 CB THR A 71 -7.291 11.100 2.831 1.00 0.00 C ATOM 1140 OG1 THR A 71 -6.442 11.666 3.806 1.00 0.00 O ATOM 1141 CG2 THR A 71 -8.714 11.022 3.370 1.00 0.00 C ATOM 0 H THR A 71 -6.337 9.493 4.422 1.00 0.00 H new ATOM 0 HA THR A 71 -7.576 9.213 1.804 1.00 0.00 H new ATOM 0 HB THR A 71 -7.269 11.743 1.951 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.778 12.552 4.058 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.043 12.016 3.674 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.377 10.643 2.593 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.741 10.352 4.229 1.00 0.00 H new ATOM 1149 N TYR A 72 -5.770 10.328 0.278 1.00 0.00 N ATOM 1150 CA TYR A 72 -4.658 10.733 -0.576 1.00 0.00 C ATOM 1151 C TYR A 72 -3.743 11.710 0.153 1.00 0.00 C ATOM 1152 O TYR A 72 -2.529 11.570 0.087 1.00 0.00 O ATOM 1153 CB TYR A 72 -5.163 11.373 -1.873 1.00 0.00 C ATOM 1154 CG TYR A 72 -5.798 10.421 -2.864 1.00 0.00 C ATOM 1155 CD1 TYR A 72 -5.095 9.281 -3.295 1.00 0.00 C ATOM 1156 CD2 TYR A 72 -7.048 10.727 -3.433 1.00 0.00 C ATOM 1157 CE1 TYR A 72 -5.629 8.456 -4.295 1.00 0.00 C ATOM 1158 CE2 TYR A 72 -7.603 9.895 -4.418 1.00 0.00 C ATOM 1159 CZ TYR A 72 -6.894 8.752 -4.845 1.00 0.00 C ATOM 1160 OH TYR A 72 -7.442 7.922 -5.768 1.00 0.00 O ATOM 0 H TYR A 72 -6.691 10.467 -0.139 1.00 0.00 H new ATOM 0 HA TYR A 72 -4.093 9.835 -0.825 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -5.891 12.144 -1.618 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.326 11.873 -2.361 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.139 9.040 -2.853 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.584 11.607 -3.110 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.074 7.597 -4.643 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.567 10.128 -4.846 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.826 7.182 -5.949 1.00 0.00 H new ATOM 1170 N SER A 73 -4.295 12.689 0.864 1.00 0.00 N ATOM 1171 CA SER A 73 -3.472 13.703 1.494 1.00 0.00 C ATOM 1172 C SER A 73 -2.640 13.133 2.648 1.00 0.00 C ATOM 1173 O SER A 73 -1.510 13.581 2.869 1.00 0.00 O ATOM 1174 CB SER A 73 -4.348 14.856 1.966 1.00 0.00 C ATOM 1175 OG SER A 73 -5.466 15.056 1.106 1.00 0.00 O ATOM 0 H SER A 73 -5.298 12.797 1.014 1.00 0.00 H new ATOM 0 HA SER A 73 -2.764 14.074 0.753 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.699 14.655 2.978 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.755 15.769 2.010 1.00 0.00 H new ATOM 0 HG SER A 73 -6.006 15.802 1.440 1.00 0.00 H new ATOM 1181 N GLU A 74 -3.166 12.133 3.360 1.00 0.00 N ATOM 1182 CA GLU A 74 -2.420 11.417 4.381 1.00 0.00 C ATOM 1183 C GLU A 74 -1.325 10.544 3.761 1.00 0.00 C ATOM 1184 O GLU A 74 -0.339 10.262 4.439 1.00 0.00 O ATOM 1185 CB GLU A 74 -3.377 10.586 5.242 1.00 0.00 C ATOM 1186 CG GLU A 74 -4.121 11.451 6.265 1.00 0.00 C ATOM 1187 CD GLU A 74 -4.700 10.612 7.405 1.00 0.00 C ATOM 1188 OE1 GLU A 74 -5.505 9.687 7.159 1.00 0.00 O ATOM 1189 OE2 GLU A 74 -4.274 10.854 8.566 1.00 0.00 O ATOM 0 H GLU A 74 -4.123 11.802 3.240 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.923 12.145 5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.099 10.082 4.599 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.816 9.810 5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.440 12.198 6.673 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.926 11.992 5.767 1.00 0.00 H new ATOM 1196 N PHE A 75 -1.471 10.118 2.505 1.00 0.00 N ATOM 1197 CA PHE A 75 -0.446 9.400 1.753 1.00 0.00 C ATOM 1198 C PHE A 75 0.669 10.349 1.327 1.00 0.00 C ATOM 1199 O PHE A 75 1.832 10.010 1.537 1.00 0.00 O ATOM 1200 CB PHE A 75 -1.107 8.684 0.570 1.00 0.00 C ATOM 1201 CG PHE A 75 -0.258 8.274 -0.628 1.00 0.00 C ATOM 1202 CD1 PHE A 75 0.984 7.629 -0.474 1.00 0.00 C ATOM 1203 CD2 PHE A 75 -0.782 8.450 -1.924 1.00 0.00 C ATOM 1204 CE1 PHE A 75 1.651 7.095 -1.592 1.00 0.00 C ATOM 1205 CE2 PHE A 75 -0.126 7.903 -3.039 1.00 0.00 C ATOM 1206 CZ PHE A 75 1.085 7.210 -2.874 1.00 0.00 C ATOM 0 H PHE A 75 -2.327 10.268 1.971 1.00 0.00 H new ATOM 0 HA PHE A 75 0.025 8.643 2.380 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.582 7.783 0.958 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.903 9.330 0.200 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.427 7.544 0.507 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.695 9.010 -2.061 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.600 6.596 -1.465 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.553 8.015 -4.025 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.578 6.768 -3.727 1.00 0.00 H new ATOM 1216 N ILE A 76 0.341 11.528 0.784 1.00 0.00 N ATOM 1217 CA ILE A 76 1.341 12.512 0.369 1.00 0.00 C ATOM 1218 C ILE A 76 2.288 12.826 1.533 1.00 0.00 C ATOM 1219 O ILE A 76 3.498 12.811 1.325 1.00 0.00 O ATOM 1220 CB ILE A 76 0.668 13.780 -0.219 1.00 0.00 C ATOM 1221 CG1 ILE A 76 -0.202 13.515 -1.471 1.00 0.00 C ATOM 1222 CG2 ILE A 76 1.715 14.860 -0.552 1.00 0.00 C ATOM 1223 CD1 ILE A 76 0.434 12.648 -2.568 1.00 0.00 C ATOM 0 H ILE A 76 -0.622 11.823 0.622 1.00 0.00 H new ATOM 0 HA ILE A 76 1.945 12.089 -0.434 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.002 14.130 0.566 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.127 13.037 -1.150 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.474 14.476 -1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.215 15.737 -0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.251 15.139 0.355 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.421 14.469 -1.285 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.269 12.532 -3.393 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.343 13.128 -2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.680 11.667 -2.160 1.00 0.00 H new ATOM 1235 N ASP A 77 1.760 13.017 2.750 1.00 0.00 N ATOM 1236 CA ASP A 77 2.556 13.287 3.958 1.00 0.00 C ATOM 1237 C ASP A 77 3.618 12.221 4.219 1.00 0.00 C ATOM 1238 O ASP A 77 4.679 12.507 4.779 1.00 0.00 O ATOM 1239 CB ASP A 77 1.641 13.355 5.181 1.00 0.00 C ATOM 1240 CG ASP A 77 2.417 13.326 6.499 1.00 0.00 C ATOM 1241 OD1 ASP A 77 2.959 14.370 6.927 1.00 0.00 O ATOM 1242 OD2 ASP A 77 2.456 12.258 7.148 1.00 0.00 O ATOM 0 H ASP A 77 0.756 12.988 2.927 1.00 0.00 H new ATOM 0 HA ASP A 77 3.060 14.238 3.788 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.046 14.267 5.134 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.944 12.517 5.156 1.00 0.00 H new ATOM 1247 N LEU A 78 3.337 10.979 3.831 1.00 0.00 N ATOM 1248 CA LEU A 78 4.231 9.864 4.070 1.00 0.00 C ATOM 1249 C LEU A 78 5.307 9.754 2.986 1.00 0.00 C ATOM 1250 O LEU A 78 6.202 8.917 3.140 1.00 0.00 O ATOM 1251 CB LEU A 78 3.435 8.557 4.178 1.00 0.00 C ATOM 1252 CG LEU A 78 2.418 8.529 5.330 1.00 0.00 C ATOM 1253 CD1 LEU A 78 1.523 7.298 5.169 1.00 0.00 C ATOM 1254 CD2 LEU A 78 3.114 8.500 6.692 1.00 0.00 C ATOM 0 H LEU A 78 2.479 10.724 3.341 1.00 0.00 H new ATOM 0 HA LEU A 78 4.742 10.046 5.016 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.908 8.388 3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.133 7.730 4.305 1.00 0.00 H new ATOM 0 HG LEU A 78 1.818 9.438 5.290 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.797 7.267 5.981 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.998 7.352 4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.136 6.397 5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.365 8.481 7.483 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.739 7.610 6.762 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.735 9.389 6.802 1.00 0.00 H new ATOM 1266 N LEU A 79 5.215 10.552 1.917 1.00 0.00 N ATOM 1267 CA LEU A 79 6.203 10.681 0.855 1.00 0.00 C ATOM 1268 C LEU A 79 7.108 11.858 1.211 1.00 0.00 C ATOM 1269 O LEU A 79 8.220 11.640 1.681 1.00 0.00 O ATOM 1270 CB LEU A 79 5.537 10.865 -0.525 1.00 0.00 C ATOM 1271 CG LEU A 79 4.584 9.730 -0.935 1.00 0.00 C ATOM 1272 CD1 LEU A 79 4.087 9.988 -2.363 1.00 0.00 C ATOM 1273 CD2 LEU A 79 5.263 8.359 -0.839 1.00 0.00 C ATOM 0 H LEU A 79 4.405 11.154 1.767 1.00 0.00 H new ATOM 0 HA LEU A 79 6.793 9.767 0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.983 11.804 -0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.317 10.957 -1.281 1.00 0.00 H new ATOM 0 HG LEU A 79 3.739 9.716 -0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.410 9.188 -2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.560 10.941 -2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.937 10.018 -3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.558 7.582 -1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.130 8.335 -1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.584 8.183 0.188 1.00 0.00 H new ATOM 1285 N GLU A 80 6.612 13.084 1.020 1.00 0.00 N ATOM 1286 CA GLU A 80 7.283 14.375 1.200 1.00 0.00 C ATOM 1287 C GLU A 80 8.784 14.309 0.871 1.00 0.00 C ATOM 1288 O GLU A 80 9.651 14.375 1.752 1.00 0.00 O ATOM 1289 CB GLU A 80 6.978 14.958 2.594 1.00 0.00 C ATOM 1290 CG GLU A 80 5.470 15.137 2.855 1.00 0.00 C ATOM 1291 CD GLU A 80 4.757 16.180 1.990 1.00 0.00 C ATOM 1292 OE1 GLU A 80 5.413 16.893 1.202 1.00 0.00 O ATOM 1293 OE2 GLU A 80 3.520 16.311 2.147 1.00 0.00 O ATOM 0 H GLU A 80 5.649 13.209 0.709 1.00 0.00 H new ATOM 0 HA GLU A 80 6.872 15.074 0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.398 14.301 3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.476 15.922 2.695 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.979 14.175 2.707 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.332 15.407 3.902 1.00 0.00 H new ATOM 1300 N GLY A 81 9.082 14.194 -0.425 1.00 0.00 N ATOM 1301 CA GLY A 81 10.429 14.252 -0.976 1.00 0.00 C ATOM 1302 C GLY A 81 11.079 12.882 -1.134 1.00 0.00 C ATOM 1303 O GLY A 81 12.304 12.786 -1.065 1.00 0.00 O ATOM 0 H GLY A 81 8.367 14.054 -1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.395 14.744 -1.948 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.052 14.869 -0.328 1.00 0.00 H new ATOM 1307 N GLU A 82 10.290 11.825 -1.330 1.00 0.00 N ATOM 1308 CA GLU A 82 10.745 10.445 -1.392 1.00 0.00 C ATOM 1309 C GLU A 82 9.947 9.721 -2.481 1.00 0.00 C ATOM 1310 O GLU A 82 8.742 9.531 -2.320 1.00 0.00 O ATOM 1311 CB GLU A 82 10.494 9.774 -0.032 1.00 0.00 C ATOM 1312 CG GLU A 82 11.487 10.108 1.084 1.00 0.00 C ATOM 1313 CD GLU A 82 12.720 9.211 0.990 1.00 0.00 C ATOM 1314 OE1 GLU A 82 13.601 9.494 0.144 1.00 0.00 O ATOM 1315 OE2 GLU A 82 12.784 8.193 1.719 1.00 0.00 O ATOM 0 H GLU A 82 9.282 11.915 -1.454 1.00 0.00 H new ATOM 0 HA GLU A 82 11.809 10.403 -1.623 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.495 10.049 0.306 1.00 0.00 H new ATOM 0 HB3 GLU A 82 10.495 8.694 -0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 82 11.785 11.154 1.013 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.009 9.978 2.055 1.00 0.00 H new ATOM 1322 N GLU A 83 10.589 9.298 -3.578 1.00 0.00 N ATOM 1323 CA GLU A 83 9.920 8.663 -4.715 1.00 0.00 C ATOM 1324 C GLU A 83 10.502 7.287 -5.048 1.00 0.00 C ATOM 1325 O GLU A 83 10.961 7.045 -6.164 1.00 0.00 O ATOM 1326 CB GLU A 83 9.854 9.628 -5.912 1.00 0.00 C ATOM 1327 CG GLU A 83 8.663 10.580 -5.792 1.00 0.00 C ATOM 1328 CD GLU A 83 8.668 11.611 -6.917 1.00 0.00 C ATOM 1329 OE1 GLU A 83 8.373 11.265 -8.084 1.00 0.00 O ATOM 1330 OE2 GLU A 83 8.911 12.804 -6.626 1.00 0.00 O ATOM 0 H GLU A 83 11.598 9.389 -3.700 1.00 0.00 H new ATOM 0 HA GLU A 83 8.889 8.453 -4.431 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.778 10.203 -5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.775 9.058 -6.838 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.734 10.011 -5.821 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.696 11.088 -4.828 1.00 0.00 H new ATOM 1337 N LYS A 84 10.474 6.341 -4.097 1.00 0.00 N ATOM 1338 CA LYS A 84 11.014 4.990 -4.324 1.00 0.00 C ATOM 1339 C LYS A 84 10.107 3.896 -3.772 1.00 0.00 C ATOM 1340 O LYS A 84 10.594 2.815 -3.432 1.00 0.00 O ATOM 1341 CB LYS A 84 12.384 4.968 -3.608 1.00 0.00 C ATOM 1342 CG LYS A 84 13.491 5.748 -4.336 1.00 0.00 C ATOM 1343 CD LYS A 84 14.380 6.603 -3.419 1.00 0.00 C ATOM 1344 CE LYS A 84 13.578 7.717 -2.730 1.00 0.00 C ATOM 1345 NZ LYS A 84 14.431 8.858 -2.327 1.00 0.00 N ATOM 0 H LYS A 84 10.084 6.485 -3.165 1.00 0.00 H new ATOM 0 HA LYS A 84 11.096 4.788 -5.392 1.00 0.00 H new ATOM 0 HB2 LYS A 84 12.264 5.380 -2.606 1.00 0.00 H new ATOM 0 HB3 LYS A 84 12.703 3.932 -3.490 1.00 0.00 H new ATOM 0 HG2 LYS A 84 14.121 5.041 -4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 84 13.030 6.396 -5.081 1.00 0.00 H new ATOM 0 HD2 LYS A 84 14.842 5.967 -2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.188 7.044 -4.003 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.798 8.070 -3.404 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.079 7.311 -1.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.322 9.030 -1.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 15.426 8.639 -2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.145 9.708 -2.854 1.00 0.00 H new ATOM 1359 N PHE A 85 8.789 4.080 -3.858 1.00 0.00 N ATOM 1360 CA PHE A 85 7.796 3.200 -3.232 1.00 0.00 C ATOM 1361 C PHE A 85 6.386 3.785 -3.347 1.00 0.00 C ATOM 1362 O PHE A 85 5.721 4.059 -2.350 1.00 0.00 O ATOM 1363 CB PHE A 85 8.156 2.854 -1.758 1.00 0.00 C ATOM 1364 CG PHE A 85 8.931 3.933 -1.017 1.00 0.00 C ATOM 1365 CD1 PHE A 85 8.490 5.269 -1.026 1.00 0.00 C ATOM 1366 CD2 PHE A 85 10.202 3.630 -0.499 1.00 0.00 C ATOM 1367 CE1 PHE A 85 9.356 6.301 -0.643 1.00 0.00 C ATOM 1368 CE2 PHE A 85 11.066 4.662 -0.101 1.00 0.00 C ATOM 1369 CZ PHE A 85 10.658 5.999 -0.206 1.00 0.00 C ATOM 0 H PHE A 85 8.373 4.856 -4.372 1.00 0.00 H new ATOM 0 HA PHE A 85 7.812 2.260 -3.783 1.00 0.00 H new ATOM 0 HB2 PHE A 85 7.235 2.650 -1.213 1.00 0.00 H new ATOM 0 HB3 PHE A 85 8.742 1.935 -1.749 1.00 0.00 H new ATOM 0 HD1 PHE A 85 7.480 5.500 -1.329 1.00 0.00 H new ATOM 0 HD2 PHE A 85 10.515 2.600 -0.407 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.024 7.328 -0.683 1.00 0.00 H new ATOM 0 HE2 PHE A 85 12.046 4.426 0.286 1.00 0.00 H new ATOM 0 HZ PHE A 85 11.342 6.795 0.048 1.00 0.00 H new ATOM 1379 N ILE A 86 5.929 4.049 -4.565 1.00 0.00 N ATOM 1380 CA ILE A 86 4.788 4.934 -4.809 1.00 0.00 C ATOM 1381 C ILE A 86 3.775 4.185 -5.682 1.00 0.00 C ATOM 1382 O ILE A 86 4.003 3.040 -6.072 1.00 0.00 O ATOM 1383 CB ILE A 86 5.263 6.270 -5.441 1.00 0.00 C ATOM 1384 CG1 ILE A 86 6.710 6.703 -5.093 1.00 0.00 C ATOM 1385 CG2 ILE A 86 4.330 7.439 -5.083 1.00 0.00 C ATOM 1386 CD1 ILE A 86 6.924 7.103 -3.625 1.00 0.00 C ATOM 0 H ILE A 86 6.336 3.657 -5.414 1.00 0.00 H new ATOM 0 HA ILE A 86 4.298 5.202 -3.873 1.00 0.00 H new ATOM 0 HB ILE A 86 5.237 6.049 -6.508 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.388 5.885 -5.335 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.986 7.544 -5.729 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.699 8.354 -5.546 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.325 7.228 -5.449 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.303 7.565 -4.001 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.964 7.391 -3.474 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.276 7.944 -3.379 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.684 6.258 -2.979 1.00 0.00 H new ATOM 1398 N GLY A 87 2.687 4.843 -6.064 1.00 0.00 N ATOM 1399 CA GLY A 87 2.004 4.613 -7.318 1.00 0.00 C ATOM 1400 C GLY A 87 1.291 5.890 -7.690 1.00 0.00 C ATOM 1401 O GLY A 87 1.092 6.744 -6.795 1.00 0.00 O ATOM 0 H GLY A 87 2.250 5.567 -5.493 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.715 4.331 -8.095 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.294 3.792 -7.222 1.00 0.00 H new